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|
************************************************************************
* This file is part of OpenMolcas. *
* *
* OpenMolcas is free software; you can redistribute it and/or modify *
* it under the terms of the GNU Lesser General Public License, v. 2.1. *
* OpenMolcas is distributed in the hope that it will be useful, but it *
* is provided "as is" and without any express or implied warranties. *
* For more details see the full text of the license in the file *
* LICENSE or in <http://www.gnu.org/licenses/>. *
************************************************************************
#Hamiltonian X2C
#Nucleus GN_
#Contraction ANO
#AllElectron AE_
************************************************************************
* This file has been generated from Basis Set Exchange data: *
* https://www.basissetexchange.org *
* Version: 1 (Data from Supporting Information) *
************************************************************************
/X.ANO-R..0s.0s.
Dummy basis
GHOST (0s) -> [0s]
0.0 0
* s-type functions
0 0
/H.ANO-R.Zobel.7s4p2d.7s4p2d.
J.P. Zobel, P.-O. Widmark, V. Veryazov. J. Chem. Theory Comput. 16 (2020) 278-294. doi:10.1021/acs.jctc.9b00873
HYDROGEN (7s,4p,2d) -> [7s,4p,2d]
1.0 2
* s-type functions
7 7
107.20423474
16.04351239
3.61654671
0.93543804
0.30477121
0.10685424
0.03746361
0.00079596720000 -0.00361608410000 0.00048843780000 -0.01498672520000 0.05006493330000 -0.11077284710000 1.25617590390000
0.00586925230000 -0.02607679330000 0.00216479500000 -0.07582784460000 0.37247638680000 -1.36222333820000 -1.21278509400000
0.03215265680000 -0.14385197150000 0.08283377860000 -0.65778506320000 1.02495482600000 2.05235105540000 0.84968140640000
0.12850222870000 -0.52793269250000 0.91030920230000 -0.44264904310000 -2.51466258030000 -2.01542936570000 -0.57134648030000
0.27573624990000 -0.52291447450000 -0.60066363300000 2.42148162360000 2.99754398940000 1.66871738120000 0.38962795200000
0.42816551020000 0.45974465860000 -1.30519858780000 -2.78499313960000 -2.30542287750000 -1.01290330260000 -0.20865898410000
0.29873786980000 0.50842179240000 1.43726721270000 1.29625680500000 0.94701469600000 0.34812647310000 0.06582653550000
* p-type functions
4 4
1.93253233
1.05320343
0.50662208
0.21338213
0.15938496940000 -0.42921487210000 1.23849226020000 -3.20743612720000
0.09969830070000 -0.10713370090000 0.01887459100000 6.05538155740000
0.50902607090000 -0.72710091030000 -1.92985252660000 -4.44300726500000
0.36374702630000 1.25487948780000 1.23585491040000 1.48938449060000
* d-type functions
2 2
0.79635354
0.31879429
0.50187145460000 -1.31032811460000
0.58178957750000 1.27685379450000
/He.ANO-R.Zobel.8s4p2d.6s4p1d.
J.P. Zobel, P.-O. Widmark, V. Veryazov. J. Chem. Theory Comput. 16 (2020) 278-294. doi:10.1021/acs.jctc.9b00873
HELIUM (8s,4p,2d) -> [6s,4p,1d]
2.0 2
* s-type functions
8 6
532.15974499
80.00496238
18.02248870
5.06497567
1.59338361
0.53030904
0.18170023
0.06225610
0.00104817410000 -0.00034052730000 0.00111403870000 -0.00184908950000 0.00292483400000 -0.01764825190000
0.00796922380000 -0.00240430620000 0.00856856720000 -0.01873842890000 0.01268572280000 0.11956185910000
0.04049127880000 -0.01398641990000 0.04846199200000 -0.11094985620000 0.27492271270000 -1.91889261670000
0.14780790510000 -0.04666781950000 0.23615346430000 -0.93793791940000 1.21963350880000 2.91358987200000
0.37525052030000 -0.16702477920000 0.72015284870000 0.25062654700000 -3.14907730780000 -2.58646025790000
0.45058410000000 -0.14820840390000 -0.24935775750000 1.78448225870000 3.66496726550000 1.78918272150000
0.12724430510000 -0.31313987110000 -1.53490870830000 -2.29167321900000 -2.63662324280000 -0.96976123030000
0.02089399890000 1.26097025290000 1.08433398520000 1.03257489110000 0.97350838680000 0.31391342470000
* p-type functions
4 4
4.09452306
1.74477611
0.88610328
0.36143462
0.15482388450000 -0.45298043870000 0.54395736320000 -2.22339632350000
0.23769521520000 -0.07284987400000 1.26541433010000 4.63447414220000
0.50696309770000 -0.61620930640000 -2.74830284050000 -3.71381301280000
0.23537991980000 1.23229447810000 1.48690766830000 1.06159319210000
* d-type functions
2 1
1.43530328
0.57754718
0.81247662120000
0.24469789070000
/Li.ANO-R.Zobel.11s5p.9s5p.
J.P. Zobel, P.-O. Widmark, V. Veryazov. J. Chem. Theory Comput. 16 (2020) 278-294. doi:10.1021/acs.jctc.9b00873
LITHIUM (11s,5p) -> [9s,5p]
3.0 1
* s-type functions
11 9
2088.61150300
329.76830147
71.38725957
19.99582902
6.64708503
2.38700521
0.85412959
0.29066495
0.09486648
0.03230800
0.01100290
0.00050727960000 -0.00008060220000 0.00079340980000 -0.00090962390000 0.00051017270000 -0.00042185420000 0.00020850350000 -0.00233849780000 0.02195103150000
0.00369142020000 -0.00058632700000 0.00578013840000 -0.00941285760000 0.00796633320000 -0.02402823820000 0.00118484330000 0.01545282370000 -0.17894064020000
0.02002763020000 -0.00321199820000 0.03484171740000 -0.04627222430000 0.02836451900000 -0.02917968060000 0.02316394550000 -0.21373757650000 2.03120677150000
0.07516391130000 -0.01228290620000 0.17724175840000 -0.53416377660000 0.55298434790000 -1.89835265470000 0.29055028850000 0.03748507620000 -2.98948762320000
0.19983499650000 -0.03465804670000 0.65162042300000 -0.69136193540000 -0.01584143890000 3.82376866220000 -1.24933813290000 0.32281283460000 2.69035566330000
0.39315129550000 -0.07462698510000 0.29338792050000 1.75420381950000 -1.70638371560000 -3.72915626090000 2.66652176450000 -0.54378584460000 -1.90402305400000
0.40101956690000 -0.12445960170000 -0.90988544140000 -0.41567012980000 2.58430568240000 2.10551285960000 -3.94009936920000 0.66628781630000 1.16101814930000
0.07325991180000 -0.10380098670000 -0.28500485430000 -0.81890806640000 -1.35567432000000 -0.37466128930000 4.53293937490000 -0.98271258940000 -0.70230172550000
-0.00492121460000 0.46599674070000 0.14312370810000 0.05766440560000 -0.83049154660000 -0.63940199950000 -4.04252746250000 1.87142424900000 0.52602037030000
0.00214342040000 0.65961599020000 0.18554050300000 0.36211170210000 1.06438388560000 0.73716705340000 2.18722476540000 -2.89927941080000 -0.46303226360000
-0.00055657680000 0.01704729980000 0.00680400950000 0.00697224540000 -0.04339566940000 -0.28948291660000 -0.31683276330000 2.14081596960000 0.26663352220000
* p-type functions
5 5
5.56032683
2.56300962
1.09000363
0.40537766
0.11844697
0.01119247620000 -0.39856376650000 0.76847720610000 -0.88417117160000 2.08668063990000
-0.01334592420000 -0.34524742960000 -0.05785533450000 0.26783624730000 -4.06378016200000
0.07874052530000 -0.38888819900000 -0.33049852320000 1.53532152530000 3.42830027350000
-0.01007790850000 -0.00361510510000 -0.85228976750000 -1.88112237520000 -1.59802642540000
0.98383924980000 0.21987419390000 0.63642313140000 0.78497488670000 0.42786145630000
/Be.ANO-R.Zobel.11s7p3d2f.9s7p3d2f.
J.P. Zobel, P.-O. Widmark, V. Veryazov. J. Chem. Theory Comput. 16 (2020) 278-294. doi:10.1021/acs.jctc.9b00873
BERYLLIUM (11s,7p,3d,2f) -> [9s,7p,3d,2f]
4.0 3
* s-type functions
11 9
3691.66806090
574.05640852
124.00283202
34.69632525
11.53183174
4.16574637
1.51489133
0.52752984
0.17434522
0.05729263
0.01882728
0.00055363320000 -0.00010878800000 0.00015124600000 -0.00085688660000 0.00040356460000 -0.00045801740000 0.00098532670000 -0.00013220640000 0.02182239890000
0.00394682510000 -0.00077207800000 0.00104042330000 -0.00620988620000 0.00358803570000 -0.00455828880000 0.00627781390000 -0.02979164610000 -0.17827235880000
0.02128007190000 -0.00423359410000 0.00613321580000 -0.03703016860000 0.01822023940000 -0.02237620130000 0.05719695930000 0.01017037520000 2.04197074350000
0.08001671100000 -0.01608299000000 0.02392134820000 -0.20060407100000 0.16211104130000 -0.25362493620000 0.41984434130000 -2.09143680310000 -2.94294469020000
0.21305309270000 -0.04637119680000 0.08300345530000 -0.70999935740000 0.36823268350000 -0.33781417750000 0.95898395110000 4.10707262980000 2.57002345960000
0.41111867530000 -0.10115597080000 0.10490048160000 -0.14602834990000 -0.22009578710000 0.75575638330000 -3.49176321570000 -4.14306004620000 -1.75164569110000
0.37757847350000 -0.17138894860000 0.20775392250000 1.03433361520000 -1.38912217300000 0.44338467260000 4.46253089450000 2.83791878100000 0.99722035230000
0.05247249330000 -0.01191848440000 -0.19782519800000 0.29213989650000 2.34508217090000 -2.22836761640000 -3.64767194930000 -1.49361719340000 -0.50561961340000
-0.00188055780000 0.66010791890000 -1.38722108520000 -0.89844728310000 -1.12155929510000 3.12352172410000 2.43866427780000 0.68370828190000 0.24528700310000
0.00051026890000 0.45721071470000 1.34186903090000 0.34005063070000 -0.74177598240000 -3.02682455730000 -1.44619087990000 -0.27416670130000 -0.11053713240000
-0.00011848850000 -0.00785813310000 0.17918300000000 0.13452757530000 1.09376038490000 1.68950827410000 0.57680169210000 0.06843930420000 0.03346143230000
* p-type functions
7 7
21.12969131
8.89027185
3.48780524
1.28729033
0.50437998
0.22167796
0.09053350
0.00191944270000 -0.09334082600000 0.05352513590000 -0.20729094200000 0.31825490510000 -0.60186754050000 1.98482516300000
0.00304125390000 -0.29844128110000 0.14790389070000 -0.42428660040000 0.38280565160000 -0.51557796890000 -3.42121405470000
0.02046139060000 -0.51943322460000 0.20883029200000 -0.13067218540000 -0.29596286730000 2.28257496530000 2.99884885030000
0.04760830610000 -0.20510865000000 -0.00556688620000 0.79329585730000 -1.41973929920000 -3.06565162090000 -2.07854701990000
0.18892904510000 -0.03459324840000 -0.30833237620000 0.69894051530000 3.13374592030000 2.85075688140000 1.40047896370000
0.27505539450000 -0.01578968470000 -1.11881984410000 -1.68624304190000 -2.85225165320000 -1.79825641750000 -0.76146660050000
0.62203994700000 0.28472905810000 1.31373262760000 0.86548528650000 1.10219433950000 0.58236187250000 0.22682652000000
* d-type functions
3 3
0.73233854
0.33641238
0.14089237
0.09917739010000 -0.25058098220000 1.79707566840000
0.26658754720000 -1.10885445320000 -2.20232057090000
0.73711750440000 1.15394432400000 0.96675773760000
* f-type functions
2 2
0.45925197
0.19865529
0.39699805970000 -1.30685831180000
0.68641515900000 1.18081342130000
/B.ANO-R.Zobel.12s7p3d2f.9s7p3d2f.
J.P. Zobel, P.-O. Widmark, V. Veryazov. J. Chem. Theory Comput. 16 (2020) 278-294. doi:10.1021/acs.jctc.9b00873
BORON (12s,7p,3d,2f) -> [9s,7p,3d,2f]
5.0 3
* s-type functions
12 9
10431.23000000
1617.92600000
353.05470000
98.16592000
32.09312000
11.57684000
4.38897500
1.68751700
0.64207900
0.23808300
0.08534735
0.03059509
0.00030668440000 -0.00006556220000 0.00007134770000 -0.00011354450000 0.00014906710000 -0.00007401840000 0.00051101790000 -0.00129759930000 0.00303408430000
0.00197068190000 -0.00042142470000 0.00046698290000 -0.00070429450000 0.00048730320000 -0.00009213810000 0.00386306200000 0.00425605530000 -0.05502929910000
0.01049801760000 -0.00225788940000 0.00243661320000 -0.00400559730000 0.00654265070000 -0.00350264530000 0.01725857960000 -0.08409517410000 0.28683000490000
0.04173764810000 -0.00909370600000 0.01024373030000 -0.01524092500000 0.00513247140000 0.00704026590000 0.11492808180000 0.19171346610000 -2.54999723440000
0.12892618680000 -0.02929133350000 0.03168443190000 -0.05770265890000 0.12230282670000 -0.02151010430000 0.47023303790000 -2.59789016120000 3.88669523420000
0.29623173650000 -0.07374592880000 0.08789249120000 -0.13382089060000 -0.03017639410000 0.20271895290000 1.43928880480000 5.06346640060000 -3.37701836260000
0.43622685030000 -0.14425578550000 0.16130412930000 -0.31856786630000 1.02412546470000 -2.21072087490000 -3.62384086340000 -5.16043001750000 2.29283753130000
0.23204919840000 -0.15356356690000 0.24440532120000 -0.21075299370000 -2.00770308930000 4.93871622860000 3.07572182050000 3.72250550880000 -1.37744839480000
0.00581634130000 0.17336906780000 -0.76750665540000 2.48088769380000 0.71665521450000 -5.68165381200000 -1.57615505430000 -2.22982219240000 0.76521710190000
0.00426353200000 0.67587338620000 -0.80373397030000 -2.81178749180000 1.54421663000000 4.76904198400000 0.54963312040000 1.20505274680000 -0.39350958480000
-0.00188112180000 0.31401359170000 1.29319178700000 0.80078761970000 -2.79099093200000 -3.30019742250000 -0.06954202490000 -0.58119427350000 0.17783174030000
0.00057461090000 -0.00742835140000 0.11888949650000 0.50561766420000 1.84066796130000 1.44771958270000 -0.04751012940000 0.19084889140000 -0.05369120040000
* p-type functions
7 7
22.49443000
5.10440400
1.49099900
0.50520210
0.17982510
0.06419857
0.02291925
0.00514621190000 -0.00502543420000 0.01815837850000 -0.01965821630000 0.00103131130000 -0.03385277390000 1.24598794770000
0.03336762160000 -0.01797748390000 0.07087969690000 -0.27539795930000 -0.46060796370000 1.36531722930000 -0.98539203470000
0.13290095480000 -0.10896142820000 0.69434969330000 -0.89646212320000 -0.06211778320000 -1.95350752530000 0.62290992530000
0.35916756000000 -0.72169009030000 0.19131492330000 1.61727360460000 0.98527806550000 1.87862016910000 -0.38420671340000
0.49051232170000 0.15773374920000 -1.28525361270000 -1.10705652950000 -1.80705986970000 -1.51530568720000 0.21945370620000
0.20507919930000 0.77295120100000 0.81566823000000 -0.04022368050000 2.16638293820000 1.04638143440000 -0.10961043510000
-0.01033814170000 0.08312399450000 0.18655454650000 0.68267844960000 -1.47037040610000 -0.48485311860000 0.03808076060000
* d-type functions
3 3
0.67550972
0.30774984
0.12377580
0.36732189650000 -0.87086520650000 1.50977756510000
0.43381436270000 0.04705504500000 -2.33369827840000
0.35832173930000 0.85043479440000 1.31389755580000
* f-type functions
2 2
0.52808868
0.22381744
0.79885027830000 -1.08203869280000
0.27028736540000 1.31754098220000
/C.ANO-R.Zobel.12s7p3d2f.9s7p3d2f.
J.P. Zobel, P.-O. Widmark, V. Veryazov. J. Chem. Theory Comput. 16 (2020) 278-294. doi:10.1021/acs.jctc.9b00873
CARBON (12s,7p,3d,2f) -> [9s,7p,3d,2f]
6.0 3
* s-type functions
12 9
15566.69000000
2405.49600000
525.67290000
146.49690000
47.97475000
17.33014000
6.58396100
2.53985700
0.96973270
0.35953110
0.12744200
0.04517401
0.00031898720000 -0.00007071800000 0.00007958490000 -0.00012532260000 0.00017683380000 -0.00013997950000 0.00053931360000 -0.00135377510000 0.00298309960000
0.00195908130000 -0.00043429850000 0.00049763660000 -0.00072327380000 0.00058273900000 -0.00053507180000 0.00368104450000 0.00484434230000 -0.05554092870000
0.01023857380000 -0.00228478480000 0.00254777800000 -0.00421183820000 0.00732514880000 -0.00554766760000 0.01759566370000 -0.08657278820000 0.28322933290000
0.04052386950000 -0.00915458990000 0.01067024500000 -0.01494566200000 0.00640097370000 -0.00621525050000 0.10664338690000 0.22103128300000 -2.55076129790000
0.12588396450000 -0.02973610580000 0.03321879250000 -0.06131035920000 0.13781688720000 -0.08576104660000 0.49477400920000 -2.64501965790000 3.87190666110000
0.29331159010000 -0.07607539280000 0.09384223390000 -0.12986911500000 -0.02253257730000 -0.00301878660000 1.40762135230000 5.14220306360000 -3.34901943120000
0.43692571670000 -0.15093548470000 0.17647882450000 -0.40596011780000 1.19484675060000 -1.49970725730000 -3.90114760820000 -5.26297358390000 2.26845660620000
0.23623142370000 -0.15152139030000 0.24877582400000 0.00983099450000 -2.55765438330000 4.14528964450000 3.81262506190000 3.79943069070000 -1.35842383770000
0.00793263420000 0.18688493190000 -0.85671881610000 2.24139450030000 1.48970849780000 -5.30579417730000 -2.43468808010000 -2.25782621090000 0.74726567800000
0.00343924810000 0.66460216270000 -0.67988431110000 -2.70446133280000 0.81636965560000 4.81016341330000 1.24816086130000 1.19776192430000 -0.37638092790000
-0.00207546360000 0.31583646570000 1.24106931150000 0.80055184690000 -2.27205162930000 -3.53298171120000 -0.53554932120000 -0.56676583280000 0.16589101320000
0.00054197700000 -0.00738333640000 0.11042526840000 0.50186330170000 1.62987063810000 1.62152882650000 0.15292412460000 0.18538028820000 -0.04938322450000
* p-type functions
7 7
34.79377000
7.96239500
2.37594400
0.81293870
0.28812230
0.10029750
0.03491430
0.00559102700000 -0.00679732190000 0.01579454460000 -0.02104258720000 0.00470125830000 -0.03035436360000 1.25296876980000
0.03751577760000 -0.04370734390000 0.07905596220000 -0.20716349060000 0.29264944270000 1.44235900090000 -1.01643701030000
0.14801343820000 -0.20133245370000 0.59507963200000 -0.89345915940000 0.49933483230000 -1.96221544310000 0.65816976100000
0.36888329870000 -0.57481676030000 0.22056423270000 1.32393215170000 -1.62365675370000 1.69886704180000 -0.40425253820000
0.48137002160000 0.10629100320000 -1.16294929970000 -0.47255358060000 2.24393129540000 -1.16584617270000 0.22683950800000
0.19400505520000 0.79017763960000 0.56600627190000 -0.66580845510000 -2.15702233820000 0.65783241010000 -0.11255354830000
-0.01411564770000 0.08423902530000 0.43000192580000 0.93896430790000 1.26872209970000 -0.24933539540000 0.04012248120000
* d-type functions
3 3
1.03157817
0.46411596
0.18218655
0.39766664070000 -1.01541681650000 1.36313783070000
0.43400237980000 0.32662041310000 -2.23287145660000
0.33184977930000 0.69961041290000 1.35953405590000
* f-type functions
2 2
0.75441471
0.31034620
0.78125017730000 -1.05989655580000
0.29671755400000 1.28284497970000
/N.ANO-R.Zobel.13s8p4d3f.10s7p4d3f.
J.P. Zobel, P.-O. Widmark, V. Veryazov. J. Chem. Theory Comput. 16 (2020) 278-294. doi:10.1021/acs.jctc.9b00873
NITROGEN (13s,8p,4d,3f) -> [10s,7p,4d,3f]
7.0 3
* s-type functions
13 10
45831.05000000
6803.94200000
1441.54300000
394.11230000
128.27310000
46.66854000
18.09257000
7.21535200
2.88655900
1.13830700
0.43702200
0.16175280
0.05986878
0.00015788200000 -0.00003631090000 0.00001154980000 -0.00004488890000 0.00006062110000 -0.00007854170000 0.00022527260000 -0.00026424180000 0.00153717240000 -0.00857507650000
0.00089111590000 -0.00020537210000 0.00006313540000 -0.00025593570000 0.00038457260000 -0.00058623090000 -0.00019332130000 -0.00309306290000 -0.01021510240000 0.08051761610000
0.00455538680000 -0.00104994270000 0.00034203160000 -0.00129241190000 0.00160848300000 -0.00176280260000 0.01179329040000 -0.00231827960000 0.10986647910000 -0.42068928500000
0.01840209510000 -0.00429079520000 0.00128378900000 -0.00539719410000 0.00880611390000 -0.01490530620000 -0.02686740330000 -0.10235938010000 -0.46940748370000 2.69517727390000
0.06098412130000 -0.01446946570000 0.00487577130000 -0.01788309490000 0.02035510750000 -0.01757402520000 0.27027661600000 -0.07219801990000 3.17820884520000 -3.75088558440000
0.16333859510000 -0.04120708350000 0.01186034820000 -0.05386373610000 0.10292196160000 -0.20338608490000 -0.54316164010000 -2.46943199400000 -5.41359498730000 3.13228464550000
0.33501920530000 -0.09542417300000 0.03438194490000 -0.12203594390000 0.12200138880000 -0.04782638010000 3.29682948630000 4.83613368910000 5.13817286930000 -2.16187455750000
0.40922017610000 -0.16759806530000 0.04387111750000 -0.25805012710000 0.63932895890000 -1.48193737400000 -6.30703629090000 -4.33672029320000 -3.58756457780000 1.37170600230000
0.15920954940000 -0.10514118500000 0.06710180010000 -0.09601367560000 -0.96457081160000 4.78296215890000 6.15536045450000 2.73336459370000 2.13668091550000 -0.81666244810000
0.00112376500000 0.29082985640000 -0.19988662780000 1.29544159850000 -1.52279525300000 -6.10773593990000 -4.19104376450000 -1.47501085210000 -1.16690541800000 0.45439509120000
0.00361043750000 0.63797864340000 -0.10163083550000 0.15841372510000 3.81594073320000 4.90586105950000 2.31791662080000 0.73047604240000 0.58879734670000 -0.23217969020000
-0.00122732720000 0.23275065670000 -0.80344410170000 -2.06016330880000 -3.41233736430000 -2.78459598110000 -1.05802237970000 -0.31828644980000 -0.25905801650000 0.10270753450000
0.00050368160000 0.00569850080000 1.56176213810000 1.17342176340000 1.32191419990000 0.90247024340000 0.31116887020000 0.09231674200000 0.07540146310000 -0.02995186400000
* p-type functions
8 7
87.70229000
20.52640000
6.32223800
2.25564100
0.85611830
0.32715340
0.12125640
0.04494256
0.00233742020000 -0.00241149880000 0.00519562640000 -0.01089569900000 0.00980425760000 -0.02271843080000 0.03974883800000
0.01742542140000 -0.01987501640000 0.04590230380000 -0.05351127060000 0.00712583130000 -0.04494778540000 1.48421792860000
0.07563112850000 -0.07565665370000 0.19619027690000 -0.56394953630000 0.62624206820000 -1.40239707190000 -1.85951248570000
0.22236303260000 -0.31890471280000 0.78734223080000 -0.37215735520000 -0.66717687120000 2.65349835380000 1.47387606490000
0.41230229540000 -0.48645845220000 -0.47591843250000 1.77280622660000 -0.18084667870000 -2.88238307310000 -0.96091433270000
0.39334800300000 0.38147817010000 -0.89582520320000 -1.82103105090000 1.31477106790000 2.39091788000000 0.55240935860000
0.11030297510000 0.68240183510000 0.89410108660000 0.62801121920000 -2.07460394650000 -1.62688852090000 -0.28192544550000
-0.00289436960000 0.02287269350000 0.11781096400000 0.35827498800000 1.59239858270000 0.74213579970000 0.10382438540000
* d-type functions
4 4
2.37607713
1.18915725
0.54288641
0.21898562
0.17308879020000 -0.41877202210000 0.69275509470000 -2.06034060190000
0.31104815000000 -0.55262528560000 0.17456901680000 3.42540696100000
0.50572321950000 0.36333852170000 -1.53992848930000 -2.47337063910000
0.18750276480000 0.64454323040000 1.26886837130000 0.92902240240000
* f-type functions
3 3
1.53069823
0.75044444
0.32342721
0.54227755910000 -1.01223335740000 1.28877993140000
0.39588902740000 0.52798486410000 -2.15171951230000
0.21146403430000 0.64748177440000 1.38050973510000
/O.ANO-R.Zobel.13s8p4d3f.10s8p4d3f.
J.P. Zobel, P.-O. Widmark, V. Veryazov. J. Chem. Theory Comput. 16 (2020) 278-294. doi:10.1021/acs.jctc.9b00873
OXYGEN (13s,8p,4d,3f) -> [10s,8p,4d,3f]
8.0 3
* s-type functions
13 10
60090.63000000
9178.64300000
1956.07500000
532.33530000
172.04650000
62.28191000
24.11402000
9.63524800
3.86729700
1.52812000
0.58555830
0.21504120
0.07897200
0.00016920810000 -0.00003958970000 0.00001250710000 -0.00004931380000 0.00006522060000 -0.00007738030000 0.00024198670000 -0.00020650200000 0.00168242610000 -0.01954133750000
0.00088918790000 -0.00020848330000 0.00006350040000 -0.00026163990000 0.00038510970000 -0.00058189410000 0.00005668060000 -0.00356419330000 -0.01025583080000 0.11243888890000
0.00444853890000 -0.00104309180000 0.00033829040000 -0.00129404820000 0.00157259970000 -0.00140787710000 0.01080548630000 0.00296406550000 0.10950027330000 -0.51556686510000
0.01797385570000 -0.00426368300000 0.00126086550000 -0.00539761040000 0.00862831010000 -0.01495549730000 -0.01725715780000 -0.12181940240000 -0.44883212490000 2.77276416840000
0.06004764280000 -0.01449627240000 0.00487391930000 -0.01805514250000 0.01994394960000 -0.00967078400000 0.24160807400000 0.07350990540000 3.13853553600000 -3.78587323460000
0.16207074990000 -0.04164205530000 0.01179994790000 -0.05465455450000 0.10170806650000 -0.20629196520000 -0.35966544720000 -2.71977448220000 -5.25636938770000 3.16560750660000
0.33392897090000 -0.09707463710000 0.03505589320000 -0.12538369040000 0.12316932980000 0.00421106670000 3.01486957310000 5.22158401390000 4.93141599930000 -2.20390647810000
0.40921409450000 -0.17002267400000 0.04315471100000 -0.26551329820000 0.65713023340000 -1.60430859380000 -6.05248512820000 -4.83482231570000 -3.45062277260000 1.40867200950000
0.16187958180000 -0.10203100480000 0.06865752710000 -0.08630575730000 -1.01401676630000 4.91124261840000 5.92368550250000 3.16872658300000 2.06548711080000 -0.83964764810000
0.00220275360000 0.29177775970000 -0.20699367600000 1.30257246320000 -1.44561069030000 -6.18776693610000 -3.97503526660000 -1.75338426220000 -1.12490123170000 0.46427028120000
0.00347040470000 0.63029108660000 -0.07657181420000 0.12585977370000 3.73109335870000 4.92261833620000 2.15158828790000 0.87402369860000 0.56155271660000 -0.23452989490000
-0.00121429300000 0.23866805680000 -0.82923397010000 -2.00572369890000 -3.34396384390000 -2.77593935110000 -0.96478156550000 -0.38029470010000 -0.24460439660000 0.10278303010000
0.00055348960000 0.00754064790000 1.56874121190000 1.13725296640000 1.29291162660000 0.89843566540000 0.28228805910000 0.11053047900000 0.07113256340000 -0.02996754440000
* p-type functions
8 8
113.11180000
26.41491000
8.17643800
2.92841600
1.10453300
0.41297850
0.14779610
0.05289305
0.00254948460000 -0.00266307000000 0.00532320570000 -0.01128985590000 0.00957980260000 -0.02380492700000 0.02549775560000 -1.27106827850000
0.01908983730000 -0.02120359350000 0.04626940430000 -0.05607434250000 0.01166056390000 -0.01854972600000 -1.54791392690000 1.09100206510000
0.08276115590000 -0.08728090320000 0.20644781250000 -0.56793960150000 0.55649702890000 -1.45236921730000 1.88985567290000 -0.77053774670000
0.23487134940000 -0.32418309010000 0.74614149370000 -0.35598259140000 -0.58947131680000 2.66272709010000 -1.44645552910000 0.50992306240000
0.41606887060000 -0.44885284210000 -0.45571945370000 1.74382471340000 -0.18013830490000 -2.75486410880000 0.88700931090000 -0.30333308290000
0.38272149730000 0.39309142670000 -0.89134842860000 -1.79329381690000 1.20132115170000 2.15993937270000 -0.47055234580000 0.15840747330000
0.10439827820000 0.66750975550000 0.91013154520000 0.66611168270000 -1.93693057720000 -1.42220728510000 0.22188894590000 -0.07177846230000
-0.00150881880000 0.02388351150000 0.09769060240000 0.29734184950000 1.55897886490000 0.65474244570000 -0.07703604610000 0.02316772160000
* d-type functions
4 4
2.91881374
1.47086227
0.67466607
0.27128932
0.21890089760000 -0.58401174500000 1.00084816300000 -1.91485266470000
0.30846062740000 -0.37494259390000 -0.49959330230000 3.46864554360000
0.49688555700000 0.42324340860000 -1.03287087310000 -2.73886363960000
0.15439787470000 0.56619970360000 1.14702559000000 1.12118490190000
* f-type functions
3 3
2.21897757
1.07062169
0.43980442
0.45594260550000 -0.96478579150000 1.28810004740000
0.44726769410000 0.37518367220000 -2.04109038070000
0.26489322710000 0.69464711720000 1.26132207490000
/F.ANO-R.Zobel.13s8p4d3f.10s8p4d3f.
J.P. Zobel, P.-O. Widmark, V. Veryazov. J. Chem. Theory Comput. 16 (2020) 278-294. doi:10.1021/acs.jctc.9b00873
FLUORINE (13s,8p,4d,3f) -> [10s,8p,4d,3f]
9.0 3
* s-type functions
13 10
78598.25000000
11937.49000000
2534.68900000
687.76570000
221.68030000
80.05927000
30.94328000
12.35365000
4.95814100
1.95911800
0.74943210
0.27347630
0.09979460
0.00017798970000 -0.00004232330000 0.00001256380000 -0.00005476000000 0.00006632680000 -0.00007980410000 0.00024856020000 -0.00019575710000 0.00170445870000 -0.00984742750000
0.00090401610000 -0.00021541200000 0.00006145060000 -0.00028160630000 0.00038470220000 -0.00057455260000 0.00007098980000 -0.00379779080000 -0.00999914140000 0.09652149470000
0.00443005210000 -0.00105576480000 0.00032301010000 -0.00135711200000 0.00148160100000 -0.00135461160000 0.01070917490000 0.00499088580000 0.10869667870000 -0.39334743510000
0.01776384890000 -0.00428297680000 0.00117998490000 -0.00566403670000 0.00851497970000 -0.01450730220000 -0.01750813790000 -0.13001511590000 -0.44104144270000 2.62167494920000
0.05942088370000 -0.01458196830000 0.00464741250000 -0.01875914170000 0.01798369510000 -0.00871671930000 0.23914857970000 0.13604591790000 3.11838209370000 -3.65636133800000
0.16121394590000 -0.04213536090000 0.01104471130000 -0.05799763920000 0.10183913060000 -0.20134138150000 -0.37429470780000 -2.81900894470000 -5.16359210180000 3.06702218210000
0.33409730820000 -0.09898937400000 0.03410380080000 -0.13207956230000 0.10470552150000 0.01896647380000 3.04988567840000 5.28020051290000 4.78839755180000 -2.13685524360000
0.40980938490000 -0.17300513020000 0.03954241010000 -0.28944263970000 0.69981083920000 -1.63227112000000 -6.06274454480000 -4.84197629860000 -3.33057316500000 1.36719787490000
0.16220986190000 -0.09853348710000 0.06758038790000 -0.05014685810000 -1.12126725660000 4.92685122310000 5.88894003530000 3.15791074000000 1.99053399050000 -0.81506306610000
0.00274045590000 0.29916169020000 -0.20634195610000 1.36343653190000 -1.26629270390000 -6.20328887080000 -3.92529263350000 -1.73943379460000 -1.08201376410000 0.44943933200000
0.00356582050000 0.62326927310000 -0.03167186220000 -0.03429851860000 3.61229552540000 4.93787931460000 2.11451252170000 0.86042980950000 0.53717703610000 -0.22554154230000
-0.00107467720000 0.24135018440000 -0.88779753880000 -1.83589656780000 -3.32180707430000 -2.78718015130000 -0.94714754220000 -0.37160392150000 -0.23262140240000 0.09820240970000
0.00044805230000 0.00389236730000 1.59333046580000 1.04471213680000 1.29002465330000 0.90294144180000 0.27814841590000 0.10796438200000 0.06767781340000 -0.02863707570000
* p-type functions
8 8
143.19590000
33.45599000
10.39699000
3.73308500
1.40412900
0.51938790
0.18218110
0.06390208
0.00265498330000 -0.00306340700000 0.00511409990000 -0.01233662930000 0.01762044070000 -0.01510940660000 0.05618211150000 -1.27090325570000
0.01994307870000 -0.02435444680000 0.04315199680000 -0.05548810520000 0.03175250160000 -0.05010823210000 -1.57707582830000 1.05827749890000
0.08659224170000 -0.10374856800000 0.19830985560000 -0.62882523300000 1.07829057010000 -1.02269381650000 1.95176330530000 -0.73126315800000
0.23900074510000 -0.36561436590000 0.72127523180000 -0.26497761890000 -1.69642155780000 2.07693283210000 -1.52399131880000 0.47708066190000
0.40689106660000 -0.41086750110000 -0.47502023470000 1.68281068960000 1.14326061200000 -2.44359708980000 0.94967792460000 -0.27924563050000
0.38231425370000 0.43087925420000 -0.86230041000000 -1.78310813800000 -0.00143930010000 2.32654844350000 -0.51066779980000 0.14318270380000
0.11507875640000 0.61144459590000 0.93283577610000 0.73666806580000 -1.02877761240000 -2.01951490350000 0.24737745020000 -0.06423757660000
-0.00074023290000 0.02821403010000 0.09928283290000 0.20407028240000 1.10889597850000 1.23917549310000 -0.09066053160000 0.02097966750000
* d-type functions
4 4
3.79049888
1.93485419
0.88682786
0.35216904
0.22508263400000 -0.61700277990000 1.21155723700000 -1.83207938990000
0.30232728630000 -0.30683538850000 -0.87179497890000 3.44746954680000
0.49678119220000 0.36957723170000 -0.73783712650000 -2.81867221420000
0.15627510730000 0.59310349140000 1.01341378050000 1.20118422810000
* f-type functions
3 3
2.83678286
1.35775012
0.55753485
0.45786709330000 -1.06242118520000 1.18561457550000
0.43835275730000 0.53079025530000 -1.98798743560000
0.27712540700000 0.58743733060000 1.30870352640000
/Ne.ANO-R.Zobel.14s8p4d3f.10s8p4d3f.
J.P. Zobel, P.-O. Widmark, V. Veryazov. J. Chem. Theory Comput. 16 (2020) 278-294. doi:10.1021/acs.jctc.9b00873
NEON (14s,8p,4d,3f) -> [10s,8p,4d,3f]
10.0 3
* s-type functions
14 10
196432.10000000
29865.13000000
6237.38100000
1659.59400000
527.85650000
190.31900000
74.46134000
30.51357000
12.73235000
5.29095200
2.15204000
0.84522370
0.31706810
0.11894150
0.00010040270000 -0.00002417460000 0.00000649390000 -0.00003197420000 0.00003990650000 -0.00004440910000 0.00006787480000 -0.00023976670000 0.00006269020000 -0.00105470680000
0.00045183430000 -0.00010876800000 0.00003035780000 -0.00014196520000 0.00016295450000 -0.00015933380000 0.00064184110000 -0.00003300280000 -0.00456004700000 -0.00121702470000
0.00208416760000 -0.00050315180000 0.00013040420000 -0.00067384480000 0.00090267610000 -0.00110194210000 0.00003688730000 -0.00930431830000 0.01968999050000 0.09639419260000
0.00823484820000 -0.00199221580000 0.00057847710000 -0.00256823440000 0.00267011620000 -0.00212407860000 0.01830813040000 0.01767612290000 -0.17154756190000 -0.48425600190000
0.02806244860000 -0.00689498420000 0.00169661720000 -0.00943731650000 0.01391751300000 -0.01884120730000 -0.02454421810000 -0.22273787340000 0.54658404180000 3.21244282800000
0.08188758420000 -0.02065737350000 0.00634399730000 -0.02649965450000 0.02434797920000 -0.01282571710000 0.29832127130000 0.30847222880000 -3.64866168060000 -5.00913827850000
0.19665085710000 -0.05359034930000 0.01224360750000 -0.07761306130000 0.13240863330000 -0.20057422110000 -0.39236953470000 -3.29078543700000 6.40661852870000 4.52031714450000
0.35896946440000 -0.11463734940000 0.03900740120000 -0.15221541570000 0.11669353730000 -0.01813687130000 3.13670908950000 6.44289584260000 -6.17410793080000 -3.20149352720000
0.36522053060000 -0.17339791380000 0.03019411740000 -0.32845355770000 0.78852131680000 -1.36029331520000 -6.72164900610000 -6.23660077000000 4.35910143320000 2.01636929290000
0.11042961820000 -0.04657232520000 0.06114567700000 0.18782473260000 -1.85262220220000 4.83392655810000 6.91282132770000 4.21683913040000 -2.60446705780000 -1.17587096480000
0.00167724050000 0.35633790390000 -0.24032881150000 1.36832567190000 -0.17113991250000 -6.77894317130000 -4.77641310250000 -2.36377729790000 1.40719421240000 0.63764104310000
0.00233569870000 0.59032836370000 0.04524278840000 -0.37234317050000 2.99356227920000 5.88887674610000 2.62182961620000 1.17614354000000 -0.69472002640000 -0.31692018470000
-0.00046857270000 0.20285054730000 -0.95908741340000 -1.59991560270000 -3.24383313260000 -3.52586638410000 -1.18069540590000 -0.50704195590000 0.29897638100000 0.13698654440000
0.00020865250000 0.00220480020000 1.63878045420000 0.97533662840000 1.31425188640000 1.16379337290000 0.34362775580000 0.14558551950000 -0.08587329200000 -0.03944142190000
* p-type functions
8 8
179.16800000
41.80090000
13.01663000
4.67856500
1.75590900
0.64505610
0.22319430
0.07722690
0.00269375950000 -0.00335559160000 0.00517238690000 -0.01125582370000 0.01778145460000 -0.01061679290000 0.04821425610000 -1.27073670530000
0.02035821090000 -0.02680859070000 0.04193392060000 -0.05211252370000 0.02313368140000 -0.12133532310000 -1.56865693560000 1.06845009860000
0.08860997010000 -0.11712934150000 0.20622505550000 -0.56754508290000 1.07406125100000 -0.98411255170000 1.98715901230000 -0.74756798360000
0.24116910650000 -0.39639138470000 0.69157835210000 -0.34812234020000 -1.60655596200000 2.06015953790000 -1.59673665790000 0.49062698060000
0.40147890170000 -0.38404689790000 -0.50482347930000 1.72856229400000 0.96225545610000 -2.39072124220000 1.03351823250000 -0.28745854050000
0.38146926600000 0.46358224880000 -0.80859921760000 -1.76818518180000 0.17791649900000 2.22736529250000 -0.59270326080000 0.14802348570000
0.12325722060000 0.56557401880000 0.92173685980000 0.68236239410000 -1.12707415350000 -1.90486558990000 0.32529998730000 -0.06811162690000
-0.00021847760000 0.02929306390000 0.11797792710000 0.25495584050000 1.13019945910000 1.16680024700000 -0.14330996130000 0.02372445670000
* d-type functions
4 4
4.85714639
2.45560378
1.12029771
0.44262106
0.22537316230000 -0.64211886630000 1.05532105750000 -1.86831517660000
0.31132558560000 -0.29067369760000 -0.63663922560000 3.42597848420000
0.49200106140000 0.40071734690000 -0.90415854340000 -2.71982581210000
0.15286716300000 0.56023449270000 1.10219081050000 1.11796570310000
* f-type functions
3 3
3.70080304
1.76105099
0.72428145
0.44070855730000 -1.04149602250000 1.19571588390000
0.46242861880000 0.49307588010000 -1.98126480620000
0.26582685090000 0.60608467070000 1.30282430980000
/Na.ANO-R.Zobel.16s8p4d3f.11s8p4d3f.
J.P. Zobel, P.-O. Widmark, V. Veryazov. J. Chem. Theory Comput. 16 (2020) 278-294. doi:10.1021/acs.jctc.9b00873
SODIUM (16s,8p,4d,3f) -> [11s,8p,4d,3f]
11.0 3
* s-type functions
16 11
201993.95564000
31153.81959900
6494.50775280
1715.38813450
542.07329880
194.87483927
76.28659970
31.32156240
13.06802499
5.39787573
2.16176673
0.82602181
0.29767152
0.10041543
0.03159139
0.00993887
0.00012498870000 -0.00003241680000 0.00000464170000 -0.00003379960000 0.00003908050000 -0.00002648140000 0.00003875130000 -0.00007420740000 0.00007711860000 -0.00025554160000 0.00009534730000
0.00055064260000 -0.00014290420000 0.00002048600000 -0.00014460170000 0.00015205430000 -0.00009410880000 0.00016063160000 -0.00056652450000 0.00022176300000 -0.00022526670000 -0.00465905370000
0.00254472480000 -0.00066145380000 0.00009464420000 -0.00070811680000 0.00088398370000 -0.00063748250000 0.00084135740000 -0.00053864110000 0.00202298690000 -0.00885030950000 0.01665838690000
0.01009382650000 -0.00263685020000 0.00037872250000 -0.00258699900000 0.00241155450000 -0.00129089880000 0.00274769380000 -0.01514427330000 0.00225707970000 0.01067785710000 -0.15893205830000
0.03432116790000 -0.00909120580000 0.00130182950000 -0.01012304420000 0.01394641490000 -0.01076785130000 0.01278344520000 0.01093489730000 0.03724069980000 -0.20886676280000 0.43604958160000
0.09843789460000 -0.02700713370000 0.00390750910000 -0.02538983520000 0.01902146240000 -0.00672857070000 0.02626160380000 -0.23658565950000 0.00415429200000 0.17867265790000 -3.46776193410000
0.22703539490000 -0.06756570940000 0.00978065500000 -0.08052510820000 0.12670795610000 -0.10538294350000 0.11678775510000 0.23113751110000 0.48237069690000 -2.98148643320000 6.38102962310000
0.38226510240000 -0.13793810190000 0.02062465050000 -0.12000914660000 0.05021747820000 0.01793856930000 0.17174942100000 -2.47460906480000 0.31807622420000 6.35524019150000 -6.35788096990000
0.32385041780000 -0.17690298650000 0.02701692530000 -0.35531357480000 0.87072331610000 -0.81649013730000 0.69725468370000 5.49562482540000 -2.20704157430000 -6.52928075740000 4.59801914930000
0.06887976650000 0.01912618290000 -0.00281098180000 0.31549446670000 -2.13586896190000 2.43640462500000 -3.52330501990000 -5.54255840110000 2.87722454140000 4.62691346830000 -2.77277990220000
0.00774126760000 0.46590562800000 -0.08753194200000 1.38859427900000 0.62012895700000 -2.48018641110000 5.64484112700000 3.68828436630000 -2.45326391710000 -2.71377008840000 1.50313652010000
0.00848348370000 0.55168622670000 -0.13824591550000 -0.92291058730000 1.73936681630000 0.59265429010000 -5.81259201410000 -1.90801618460000 1.93947969610000 1.47606026670000 -0.76865682970000
0.00128092260000 0.10035499540000 -0.17301747480000 -0.71447980660000 -1.65650149970000 1.75856361240000 4.63099218220000 0.62401853730000 -1.76152580640000 -0.82702843770000 0.38917255620000
-0.00004017230000 -0.00626396360000 0.36868780430000 0.13325999470000 -0.12782414030000 -2.84658722160000 -2.81613171660000 0.35592710090000 2.02200493560000 0.55455439900000 -0.21276343200000
0.00000996900000 0.00216407960000 0.77600451320000 0.28190413730000 0.52871661070000 1.69291066590000 1.08973838500000 -1.08688317730000 -2.45521430030000 -0.46708000530000 0.13728639500000
-0.00000231310000 -0.00057297250000 0.02593291200000 0.01418092780000 0.01972971290000 -0.14541330400000 -0.08896290630000 0.93203378080000 1.74636692960000 0.28733863520000 -0.07152281690000
* p-type functions
8 8
251.33976570
58.58442958
18.32898710
6.64413738
2.53860078
0.96524049
0.35239020
0.12865069
0.00222604900000 -0.00061489480000 0.00350887160000 -0.00559011980000 0.00681295570000 -0.02960941390000 0.05199053550000 -1.27131948810000
0.01719868620000 -0.00387215940000 0.02869753910000 -0.03862657140000 0.02081053710000 0.06535729780000 -1.59017538370000 1.06896342970000
0.07667535000000 -0.02239054950000 0.13491015580000 -0.26536733730000 0.38197931400000 -1.75025468670000 1.85936102000000 -0.75499813410000
0.21798023360000 -0.04767557260000 0.47094633890000 -0.85506299420000 0.50427782420000 2.82499257350000 -1.38658362460000 0.50296545160000
0.37882228060000 -0.13092575820000 0.40178760960000 1.10467886650000 -2.10696189320000 -2.53493356950000 0.84775994410000 -0.30184208520000
0.39679426680000 0.01986228740000 -0.58300904520000 0.35824791160000 2.84371143420000 1.66914144840000 -0.44896383230000 0.15919625500000
0.16015120330000 -0.37073659520000 -0.69465158220000 -1.29805308210000 -2.25687487160000 -0.86959003230000 0.20502680930000 -0.07252667730000
0.00270408940000 1.22622892790000 0.54272375130000 0.66229703460000 0.89010284360000 0.29352056250000 -0.06597360610000 0.02336346190000
* d-type functions
4 4
5.11526850
2.44026670
1.08275000
0.43058634
0.32953695680000 -0.85359761800000 0.67181775240000 -1.69438365500000
0.34329438220000 0.06898810270000 -0.21947962980000 3.13260309630000
0.43738510140000 0.40593440520000 -1.13105422580000 -2.47248198610000
0.06900062470000 0.47000064530000 1.30201690820000 0.91668185520000
* f-type functions
3 3
0.77578471
4.19987978
1.94832818
0.19751734110000 -1.15325131360000 0.79245101350000
0.49295732910000 0.30181820200000 1.47916464720000
0.46941333120000 0.46086493940000 -1.87650941560000
/Mg.ANO-R.Zobel.16s9p6d5f.11s8p6d5f.
J.P. Zobel, P.-O. Widmark, V. Veryazov. J. Chem. Theory Comput. 16 (2020) 278-294. doi:10.1021/acs.jctc.9b00873
MAGNESIUM (16s,9p,6d,5f) -> [11s,8p,6d,5f]
12.0 3
* s-type functions
16 11
261636.94402000
40086.19582800
8292.82562360
2173.09813900
681.56582324
243.42662970
94.82224557
38.82634222
16.20404670
6.72194237
2.71764309
1.05535924
0.38985757
0.13629251
0.04505157
0.01489182
0.00012546610000 -0.00003459860000 0.00000655930000 -0.00000848750000 0.00003526630000 -0.00003361260000 0.00003365310000 -0.00003643950000 0.00007909930000 -0.00025973620000 0.00006538980000
0.00053657490000 -0.00014809420000 0.00002806960000 -0.00003611620000 0.00014756880000 -0.00013794920000 0.00012807800000 -0.00013860090000 0.00065341350000 0.00026006850000 0.00417817620000
0.00243273530000 -0.00067217050000 0.00012751790000 -0.00016589110000 0.00070023830000 -0.00068104200000 0.00072811250000 -0.00079212600000 0.00022172450000 -0.01068357310000 -0.01366185920000
0.00956353400000 -0.00265683160000 0.00050384610000 -0.00064427610000 0.00258275010000 -0.00234935400000 0.00195145180000 -0.00209248750000 0.01804988020000 0.02987700500000 0.14919292070000
0.03259051090000 -0.00916479010000 0.00174435260000 -0.00228807040000 0.00988980050000 -0.00992587500000 0.01155351300000 -0.01269772580000 -0.02228643000000 -0.26255232950000 -0.40078021350000
0.09430486360000 -0.02746192280000 0.00524163440000 -0.00664773390000 0.02595430040000 -0.02270943370000 0.01527202770000 -0.01623815690000 0.29296211040000 0.64140251900000 3.39058724080000
0.22039954130000 -0.06927525040000 0.01341697760000 -0.01785816650000 0.08017732390000 -0.08424144080000 0.10882537720000 -0.12205809830000 -0.41159281730000 -3.86898527060000 -5.84767277830000
0.37754416880000 -0.14317793070000 0.02832984780000 -0.03545985920000 0.13319485890000 -0.11361665760000 0.04914299000000 -0.06060625090000 3.15226908660000 6.97288626180000 5.35945921850000
0.33079004220000 -0.18597877840000 0.03898937310000 -0.05760224900000 0.36081002310000 -0.55468535490000 0.89034882720000 -1.04701623180000 -6.73027315920000 -6.56519451550000 -3.62666981240000
0.07632470100000 0.00627868330000 -0.00286832590000 0.01737132450000 -0.39526010700000 1.31525063800000 -2.86634561550000 4.01075075030000 6.85739445000000 4.41485347120000 2.11524888800000
0.01128125820000 0.47604166020000 -0.11928105210000 0.19331466330000 -1.32003799280000 0.44915476950000 2.98670699470000 -6.04458481290000 -4.71715479920000 -2.50696647590000 -1.13717106060000
0.01276563690000 0.55968535470000 -0.22856215430000 0.25639065840000 0.91897111880000 -2.86628734770000 -1.04991940680000 6.03375681730000 2.67401697030000 1.29808719200000 0.57871515960000
0.00160642540000 0.08623640610000 -0.15080087050000 0.05715198620000 1.28020421510000 3.08193548210000 -1.09497151580000 -4.89617452100000 -1.37281344150000 -0.63447638010000 -0.28202808290000
0.00001426350000 -0.00365262640000 0.66105030660000 -1.68823811940000 -1.44844293580000 -1.25913613490000 2.37471078660000 3.53559924640000 0.66434381830000 0.29569527780000 0.13131249540000
-0.00000612110000 0.00140363600000 0.55076253680000 1.30090251040000 0.32037001280000 -0.52873972520000 -2.67041284970000 -2.35844572800000 -0.29941173640000 -0.12675037820000 -0.05599956640000
0.00000511330000 -0.00027926440000 -0.00956244750000 0.26781672250000 0.27044484130000 0.81473594030000 1.60638274400000 1.08783010670000 0.09720318370000 0.03839140830000 0.01679110710000
* p-type functions
9 8
581.72949141
134.22321974
42.36889381
15.73075323
6.30890769
2.61020765
1.07712810
0.42244629
0.16568212
0.00080830970000 -0.00018212820000 0.00129383820000 -0.00136296590000 0.00108648570000 -0.00104976100000 0.03390399210000 -0.10235153580000
0.00665501830000 -0.00189466980000 0.01066400340000 -0.01671060490000 0.02144397610000 0.05186968800000 -0.06724886830000 1.66243376980000
0.03262261290000 -0.00722559630000 0.05503134350000 -0.06003389920000 0.05000444940000 -0.05229377380000 1.93397303860000 -2.01194681620000
0.11110175830000 -0.03392318230000 0.21339217170000 -0.44733925420000 0.71102720640000 1.80971535020000 -2.82710948120000 1.65326699790000
0.25800120760000 -0.05384473780000 0.55198290600000 -0.50314087220000 -0.20501537290000 -3.66288082200000 2.37670499930000 -1.15261207470000
0.38321741930000 -0.14259324970000 0.14652559500000 1.15689768400000 -1.71953454040000 3.95791564430000 -1.54059691150000 0.71066071630000
0.34364407280000 0.03142870930000 -0.67998846260000 0.21743529870000 2.98393093880000 -2.93992756730000 0.82855211050000 -0.38037288060000
0.10265644930000 -0.29510481290000 -0.54040737650000 -1.48772501210000 -2.56691298350000 1.60009751900000 -0.36882169520000 0.17100877020000
0.00094412160000 1.19337664380000 0.55708571270000 0.85383813680000 1.05367961690000 -0.53957181700000 0.11408186290000 -0.05345213900000
* d-type functions
6 6
10.06598123
4.77793365
2.16835058
0.85276151
0.30239105
0.11977549
0.15240912520000 -0.06737481290000 0.42188292640000 -0.47131853970000 0.71818218900000 -1.83403752010000
0.28373247400000 -0.12339544890000 0.45898036720000 -0.14115634680000 -0.13294761180000 3.32931355990000
0.50539095930000 -0.11883246670000 -0.21181991000000 0.70345925260000 -1.29674193920000 -2.82585939740000
0.21499880260000 -0.01337157710000 -0.71402446880000 0.02192040140000 1.88873475710000 1.56587721500000
0.05273693540000 0.39084039000000 -0.02156565670000 -1.26242159050000 -1.59673124800000 -0.74334180670000
0.06191537280000 0.67388793440000 0.39717636400000 1.04829974610000 0.81556485100000 0.27847563520000
* f-type functions
5 5
8.49719089
3.95842570
1.66004149
0.47680197
0.17891067
0.20511132060000 -0.05917486490000 0.26141231490000 -1.09477361410000 1.17335865820000
0.52533726800000 -0.08718262610000 0.48171889150000 0.64564172600000 -1.97166386630000
0.40382617000000 -0.01798678120000 -0.54834531500000 0.43019857790000 1.58057469530000
0.07319252220000 0.23394763820000 -0.75935969990000 -0.82135537420000 -0.96713555620000
-0.01264454140000 0.83971239130000 0.68802228120000 0.49464615910000 0.49834186650000
/Al.ANO-R.Zobel.16s11p7d5f1g.11s10p7d5f1g.
J.P. Zobel, P.-O. Widmark, V. Veryazov. J. Chem. Theory Comput. 16 (2020) 278-294. doi:10.1021/acs.jctc.9b00873
ALUMINIUM (16s,11p,7d,5f,1g) -> [11s,10p,7d,5f,1g]
13.0 4
* s-type functions
16 11
351795.40000000
52846.29000000
10836.00000000
2826.69300000
883.18710000
314.05970000
121.79130000
49.72679000
20.77552000
8.68236300
3.56560000
1.41936300
0.54197520
0.19691400
0.06762791
0.02322605
0.00012078780000 -0.00003588570000 0.00000777300000 -0.00000278900000 0.00001618910000 -0.00003542710000 0.00003634230000 -0.00004853760000 0.00007210500000 -0.00026530550000 0.00007118390000
0.00050564060000 -0.00015035070000 0.00003254680000 -0.00001160900000 0.00006698290000 -0.00014565290000 0.00014746230000 -0.00017149750000 0.00066361270000 0.00017830470000 0.00410392300000
0.00223179340000 -0.00066428220000 0.00014406280000 -0.00005199140000 0.00030369040000 -0.00066896030000 0.00069767090000 -0.00105251020000 -0.00022991940000 -0.01044285840000 -0.01434313390000
0.00861970810000 -0.00257843440000 0.00055827320000 -0.00019770000000 0.00113233410000 -0.00244306070000 0.00241721350000 -0.00220438570000 0.01896362560000 0.02805283400000 0.15185357140000
0.02927861610000 -0.00885280830000 0.00192872250000 -0.00070218560000 0.00414444080000 -0.00922882300000 0.00990180150000 -0.01741350720000 -0.03361645030000 -0.25481272860000 -0.44757240520000
0.08561807080000 -0.02671642510000 0.00582631050000 -0.00204224560000 0.01160398680000 -0.02482381320000 0.02381519340000 -0.01247769950000 0.31749938330000 0.59289658730000 3.45427375620000
0.20479577380000 -0.06846649570000 0.01525091110000 -0.00562699890000 0.03388795310000 -0.07694734810000 0.08599872530000 -0.17896389080000 -0.57451299100000 -3.79918245030000 -5.91567468720000
0.36455299040000 -0.14447067750000 0.03288175000000 -0.01132180210000 0.06406836510000 -0.13705663650000 0.13214912750000 0.00355150420000 3.51898956830000 6.82172397130000 5.48449204290000
0.34648536430000 -0.19762791060000 0.04859340120000 -0.01882947820000 0.13262951860000 -0.37201637530000 0.61293222960000 -1.59907814450000 -7.17701083910000 -6.38404677180000 -3.80021195600000
0.09521197810000 -0.02802134290000 0.00488527000000 0.00163666590000 -0.06257483710000 0.36833256650000 -1.45611610510000 5.35406275810000 7.30436558300000 4.31844239520000 2.28913730790000
0.01653791280000 0.44713012730000 -0.13301719320000 0.04083383520000 -0.42819112270000 1.48977336240000 -0.54548766710000 -7.38063504130000 -5.08873720840000 -2.50074989820000 -1.27658799180000
0.02123398370000 0.58735210110000 -0.29515904490000 0.13095432340000 -0.37321104820000 -1.30414308950000 3.69352895180000 6.51637181990000 2.91384972640000 1.32793940710000 0.67303005340000
0.00310441310000 0.10613161100000 -0.13154216870000 0.00776164610000 0.61120877660000 -1.27436085290000 -4.91786538500000 -4.43413694870000 -1.49332242300000 -0.66242779160000 -0.33718753750000
0.00003875480000 -0.00477340770000 0.72985059170000 -0.22735712490000 1.52067222860000 2.62467892200000 3.89796754460000 2.51009136970000 0.70527973970000 0.31084807270000 0.15920531440000
-0.00002449310000 0.00226295610000 0.48828318520000 -0.95093439910000 -2.53580468270000 -2.09017641550000 -2.16291889350000 -1.17986673320000 -0.29901158050000 -0.13179395600000 -0.06776206540000
0.00001107570000 -0.00047980000000 -0.00836222290000 1.59343382930000 1.15612396660000 0.78096360300000 0.70664687820000 0.36195809030000 0.08804566600000 0.03885653510000 0.02001116210000
* p-type functions
11 10
633.07082727
149.18134242
46.06592929
16.98353190
6.89629314
2.88266657
1.17552191
0.44970219
0.15759066
0.05019646
0.01598879
0.00095743600000 -0.00019383860000 0.00092617000000 -0.00126375060000 0.00128208120000 -0.00164652430000 0.00087932940000 -0.00046721880000 0.03046747170000 -0.08918539490000
0.00784868120000 -0.00157280950000 0.00746176890000 -0.01101913370000 0.01322960080000 -0.01916975030000 0.01833970240000 -0.04264697930000 -0.07825228300000 1.62420987680000
0.03972015770000 -0.00815156410000 0.04043662270000 -0.05626698220000 0.06075464420000 -0.08315798230000 0.04961308810000 -0.04764099420000 1.93668266200000 -1.93331691090000
0.13100075600000 -0.02711781220000 0.14795243790000 -0.23808435380000 0.36480901850000 -0.63983328440000 0.65796152990000 -1.55620855570000 -2.98229689810000 1.60725702450000
0.28236981430000 -0.06143696040000 0.34885321510000 -0.48161409100000 0.33537259440000 0.11598098360000 -0.85771277500000 3.50680093080000 2.64729140600000 -1.13905808590000
0.40538863110000 -0.08146658190000 0.06191385420000 0.09541629910000 -0.93561049280000 1.54427250080000 -0.04309682780000 -4.00758043310000 -1.74360542220000 0.69181974150000
0.30829927520000 -0.07434550170000 -0.23825236400000 0.92100276270000 -0.18547949610000 -2.26178649830000 1.12593058080000 3.14046509370000 0.93208027680000 -0.36030317310000
0.05499309290000 0.12744456340000 -0.50748703240000 -0.26216301060000 1.57695179510000 1.60782366840000 -1.67394142130000 -1.94754553800000 -0.43058706890000 0.16551676120000
-0.00051227150000 0.55252288070000 -0.31004032300000 -0.83324863690000 -1.45387437530000 -0.49630062250000 1.75099716720000 1.10180938380000 0.18273741280000 -0.07001926740000
0.00061324100000 0.46100140040000 0.73744023870000 0.73456576100000 0.44689934210000 -0.44889118800000 -1.72425846130000 -0.65393998340000 -0.07457703850000 0.02815485660000
-0.00017557410000 0.02177667780000 0.06128035220000 0.08254232880000 0.27215784120000 0.72982874730000 1.25969946190000 0.33996760950000 0.02484962310000 -0.00905840310000
* d-type functions
7 7
14.08593493
7.11871742
3.32046811
1.39947951
0.57794595
0.24425845
0.09241781
0.07084998880000 -0.10011930410000 0.20349405760000 -0.29192162910000 0.42511030860000 -0.58530710930000 2.21600289620000
0.13014059690000 -0.18910161540000 0.32714525400000 -0.36602057470000 0.25523807980000 -0.37608341320000 -3.93143260980000
0.31096390950000 -0.40758658620000 0.14364893210000 0.09130004000000 -0.62089843470000 2.08521217240000 3.28976683450000
0.18294477080000 -0.23433086410000 -0.37068278470000 0.77204922620000 -0.48106506510000 -2.72564448220000 -1.95471863170000
0.15425535110000 0.07139906880000 -0.52531954200000 -0.26352518240000 1.85083290210000 2.31792274410000 1.03645113460000
0.41036149280000 0.45812271300000 -0.05296429740000 -0.85948189920000 -1.87138721710000 -1.38889466000000 -0.46515973230000
0.23617777760000 0.28940293350000 0.64172543760000 0.93784674750000 0.89030579760000 0.48772762180000 0.13537531780000
* f-type functions
5 5
6.50322883
2.92517157
1.13925696
0.42005182
0.17041755
0.02361407430000 -0.55945184830000 0.26395152930000 -0.43784595910000 1.37234905600000
-0.01845205350000 -0.41100905970000 0.03197264700000 -0.20452640970000 -2.01302695010000
-0.02170688790000 -0.21905954810000 -0.16607197080000 1.38194266210000 1.31669310410000
-0.60151947430000 0.08197499050000 -0.98655727960000 -1.27838673320000 -0.61068675710000
-0.48821636190000 0.09797693220000 1.12122104660000 0.66540408130000 0.21022213270000
* g-type functions
1 1
0.37199395
1.00000000000000
/Si.ANO-R.Zobel.16s11p7d5f1g.11s10p7d5f1g.
J.P. Zobel, P.-O. Widmark, V. Veryazov. J. Chem. Theory Comput. 16 (2020) 278-294. doi:10.1021/acs.jctc.9b00873
SILICON (16s,11p,7d,5f,1g) -> [11s,10p,7d,5f,1g]
14.0 4
* s-type functions
16 11
458452.85720000
67233.72090500
13657.54997200
3549.36210110
1105.33603860
391.15037299
150.76131638
61.21599627
25.51700574
10.70194622
4.44475224
1.80368850
0.70625903
0.26332054
0.09202619
0.03216164
0.00011882940000 -0.00003624300000 0.00000849300000 -0.00001307390000 0.00003275890000 -0.00003436140000 0.00002792910000 -0.00005153930000 0.00008866370000 -0.00026303070000 0.00006535090000
0.00049113630000 -0.00014992510000 0.00003511110000 -0.00005349520000 0.00013309980000 -0.00013930160000 0.00010561420000 -0.00020219360000 0.00062526040000 0.00001873560000 0.00425781520000
0.00211384600000 -0.00064591000000 0.00015155780000 -0.00023591190000 0.00059565010000 -0.00062757980000 0.00054806510000 -0.00098472640000 0.00040731910000 -0.00964013130000 -0.01543511140000
0.00802157910000 -0.00246295050000 0.00057685260000 -0.00086663800000 0.00213595610000 -0.00222253840000 0.00149364970000 -0.00300364080000 0.01616185750000 0.02272039330000 0.15344532960000
0.02712037620000 -0.00841118630000 0.00198290650000 -0.00314209750000 0.00803420560000 -0.00854940920000 0.00826598600000 -0.01450188100000 -0.01757698200000 -0.23212850220000 -0.45886257200000
0.08002520020000 -0.02557519990000 0.00603196900000 -0.00890264640000 0.02171418720000 -0.02248752650000 0.01233462710000 -0.02759820690000 0.26294258680000 0.46613791920000 3.44662652100000
0.19524429120000 -0.06664069060000 0.01606365460000 -0.02619212210000 0.06843499540000 -0.07411141560000 0.08054823820000 -0.14173496050000 -0.32522721870000 -3.57012626420000 -5.97277652110000
0.35738932650000 -0.14356116180000 0.03534064790000 -0.05094112090000 0.12334262730000 -0.13082569790000 0.05087875920000 -0.18705474890000 3.10331168120000 6.76873219770000 5.69351277450000
0.35693065400000 -0.20347414530000 0.05423937860000 -0.10376962450000 0.33672826960000 -0.49007065110000 0.69406542420000 -1.20436319850000 -6.93953132970000 -6.70522726730000 -4.09579461730000
0.10794552620000 -0.04790694000000 0.01099917800000 0.02756515130000 -0.25092405330000 0.83502793900000 -1.94561496720000 4.98308807800000 7.53860560590000 4.82359637440000 2.57054525270000
0.01709909600000 0.42968913460000 -0.13977223440000 0.28025391660000 -1.31186318350000 1.46304532060000 1.23433938800000 -7.37375042480000 -5.65698510700000 -2.95190417980000 -1.49126306780000
0.02281151190000 0.60246633120000 -0.33147741370000 0.49437107490000 0.60995125230000 -3.79592444630000 1.19032018400000 6.96160108430000 3.50192740510000 1.63823682380000 0.81217991720000
0.00350647170000 0.11828945990000 -0.12014032500000 -0.47198109840000 1.81463769140000 3.42784349930000 -3.29664971810000 -5.16639057130000 -1.92904814790000 -0.84169516300000 -0.41480445390000
0.00012171130000 -0.00468519300000 0.73607651320000 -1.37055285710000 -2.04520541030000 -1.17807926940000 4.05106464670000 3.32872696850000 0.97215730900000 0.39985399330000 0.19619637590000
-0.00003562730000 0.00223860690000 0.48626017820000 1.33558433600000 0.48337927460000 -0.80866715040000 -3.62028865530000 -1.92214510180000 -0.44418503190000 -0.17026103610000 -0.08277413740000
0.00001759490000 -0.00048925990000 -0.00984658010000 0.18108067770000 0.43533594730000 1.00492689050000 1.89403149250000 0.76533468260000 0.14399965380000 0.05077351180000 0.02432289540000
* p-type functions
11 10
748.51252431
175.35979501
54.17554575
19.98329949
8.11457874
3.40228914
1.40383407
0.55147515
0.20232717
0.06888309
0.02345152
0.00099429290000 -0.00022708020000 0.00071886410000 -0.00145374630000 0.00114800450000 -0.00127259140000 0.00114723330000 -0.00060801720000 0.02528257630000 -0.08240996020000
0.00813176630000 -0.00185494990000 0.00585327940000 -0.01266827400000 0.01211345670000 -0.01266500720000 0.01426415340000 0.05405160450000 0.01643949390000 1.61995313890000
0.04123563210000 -0.00954059220000 0.03132509120000 -0.06478539950000 0.05437051370000 -0.06207846800000 0.05625225620000 -0.01741741010000 1.82804232670000 -2.04112693190000
0.13653361410000 -0.03210003340000 0.11625411330000 -0.27772856510000 0.33804771690000 -0.40391247740000 0.48573407150000 1.82532951330000 -2.83337118280000 1.77382277660000
0.29399143340000 -0.07146400780000 0.26467152790000 -0.55427364680000 0.27740167150000 -0.17597546050000 -0.05750041740000 -3.76832748600000 2.47861458720000 -1.28936247580000
0.41415398670000 -0.10258520340000 0.06239750310000 0.19358202010000 -0.82185186720000 1.46309159190000 -1.53756178210000 4.00920306970000 -1.62513266620000 0.80242128720000
0.28663298110000 -0.07809091490000 -0.11701817570000 0.91992034310000 -0.25974984510000 -1.66932912860000 2.76807428420000 -2.91430396900000 0.88580579460000 -0.43357931210000
0.04041691440000 0.19104226710000 -0.56887281450000 -0.25713027870000 1.64785289920000 0.64191230580000 -2.91719700800000 1.63694311100000 -0.42890620600000 0.20971281190000
0.00062883580000 0.61366523470000 -0.31506223570000 -0.72842826890000 -1.47108031010000 0.55485483150000 2.41120981690000 -0.79578029580000 0.19352660010000 -0.09395065920000
-0.00001087110000 0.35225130950000 0.85483463740000 0.61058983720000 0.28919298140000 -1.33304173560000 -1.79506371620000 0.36894860840000 -0.08266785430000 0.03942522620000
0.00003074440000 -0.00791377990000 0.09835290610000 0.11435592440000 0.47952671930000 1.18806312360000 0.98839584400000 -0.13892673130000 0.02744671610000 -0.01271206080000
* d-type functions
7 7
16.64943889
8.39955926
3.89351241
1.64278756
0.69252003
0.30429641
0.11856060
0.00716162690000 -0.13171816070000 0.11980356480000 -0.37074619740000 0.33609784420000 -0.52608710420000 2.22952687080000
0.01303034940000 -0.24835695760000 0.20846153590000 -0.44296530420000 0.24373172700000 -0.52372522040000 -3.88817850970000
0.03556917220000 -0.51865103810000 0.17245476470000 0.13069654420000 -0.49843500660000 2.25796357850000 3.21311437250000
0.03464448870000 -0.25926284960000 -0.13727150400000 0.89052109130000 -0.61533166500000 -2.88647986250000 -1.93578247900000
0.17161929530000 -0.01855894790000 -0.68435193750000 -0.28818861860000 2.09455457780000 2.42743578560000 1.07893089970000
0.53948564140000 0.14196942410000 -0.18213377980000 -0.70888160610000 -2.20545200070000 -1.41726725150000 -0.50358136040000
0.40278775200000 0.13414532460000 0.81283308920000 0.68735747830000 1.06738629110000 0.47115487710000 0.14605591490000
* f-type functions
5 5
11.80274465
5.22134974
1.96669020
0.61502922
0.23979885
0.00098495800000 -0.27234905050000 0.13993576640000 -0.29581552300000 1.45824668450000
0.01307673370000 -0.54935297840000 0.18691138140000 -0.62417419600000 -1.72731536760000
0.00839669760000 -0.34022334980000 0.06902222800000 1.36377080940000 0.89205101460000
0.44209663050000 -0.05737185680000 -1.20562310710000 -0.85729635390000 -0.34199121600000
0.66078956040000 0.21920578340000 1.06098499070000 0.39403776060000 0.12754256030000
* g-type functions
1 1
0.49411996
1.00000000000000
/P.ANO-R.Zobel.16s11p7d5f1g.11s10p7d5f1g.
J.P. Zobel, P.-O. Widmark, V. Veryazov. J. Chem. Theory Comput. 16 (2020) 278-294. doi:10.1021/acs.jctc.9b00873
PHOSPHORUS (16s,11p,7d,5f,1g) -> [11s,10p,7d,5f,1g]
15.0 4
* s-type functions
16 11
570424.45527000
82219.45203500
16587.92009500
4299.62803100
1336.32802690
471.57996307
181.14399141
73.34807531
30.56170168
12.86559709
5.39202957
2.22009247
0.88549812
0.33638184
0.11904717
0.04213137
0.00011998450000 -0.00003810560000 0.00000943130000 -0.00000344460000 0.00001647790000 -0.00003599480000 0.00003668490000 -0.00005361670000 0.00005914250000 -0.00027567390000 0.00014922070000
0.00048932000000 -0.00015554000000 0.00003847770000 -0.00001394970000 0.00006639850000 -0.00014472190000 0.00014755150000 -0.00017900280000 0.00069510800000 0.00019071340000 0.00402906630000
0.00205924440000 -0.00065518690000 0.00016237430000 -0.00005979460000 0.00028771740000 -0.00063033870000 0.00064373550000 -0.00112474520000 -0.00106216980000 -0.01066911370000 -0.01456959420000
0.00768323780000 -0.00245627870000 0.00060778340000 -0.00021794470000 0.00102966350000 -0.00223748770000 0.00227558020000 -0.00182452190000 0.02119661140000 0.03057390220000 0.15319722720000
0.02578682860000 -0.00832176230000 0.00207250170000 -0.00077330080000 0.00375897960000 -0.00828532090000 0.00852108730000 -0.01873920180000 -0.05489460960000 -0.25708586070000 -0.46156052390000
0.07631646790000 -0.02535016880000 0.00632071010000 -0.00223277830000 0.01046415600000 -0.02272796120000 0.02311927650000 -0.00504917570000 0.36847590220000 0.64953167190000 3.42197280730000
0.18832266650000 -0.06660720760000 0.01698440980000 -0.00645321790000 0.03195284040000 -0.07144670010000 0.07456468640000 -0.20502315540000 -0.88684665190000 -3.86945829400000 -5.70823166510000
0.35076220340000 -0.14512766590000 0.03790371970000 -0.01306022790000 0.06096056930000 -0.13458911250000 0.14172611120000 0.08082717300000 4.13385824300000 6.62432495180000 5.22093348840000
0.36212601170000 -0.20980425610000 0.05953834210000 -0.02409829380000 0.13511717110000 -0.37182342880000 0.52802009700000 -1.95709974260000 -7.86653080380000 -5.98252717130000 -3.66082400630000
0.11737500260000 -0.06297153040000 0.01653302010000 -0.00017302080000 -0.04136793230000 0.29499824830000 -0.94046738700000 6.09847885080000 8.00268121320000 4.01267991040000 2.29050363360000
0.01992280870000 0.41930846600000 -0.14840683960000 0.04131040860000 -0.34816719340000 1.48961984560000 -1.66362307300000 -8.24382002630000 -5.73537811900000 -2.37608266410000 -1.34513492600000
0.02705736660000 0.61239221440000 -0.36878369040000 0.17885065640000 -0.64060673340000 -0.99067341510000 5.02693524820000 7.11442984970000 3.39923590980000 1.30668515360000 0.74444426600000
0.00440054290000 0.12532587170000 -0.10103459910000 -0.03678236360000 0.86154655020000 -1.88932842560000 -5.96849305380000 -4.63822508870000 -1.78223595200000 -0.66836578770000 -0.38401462540000
0.00014326760000 -0.00430381930000 0.76274598530000 -0.21660178790000 1.45915483330000 3.23560434090000 4.52265819770000 2.48036425280000 0.83997396490000 0.31337316690000 0.18118555730000
-0.00005865840000 0.00204732700000 0.45308813990000 -0.98295617190000 -2.64155976440000 -2.43858966350000 -2.44230196890000 -1.10621834900000 -0.34902348320000 -0.13022212270000 -0.07553096200000
0.00001944410000 -0.00046069270000 -0.00088332770000 1.62421484460000 1.22631778330000 0.88928355100000 0.78488588490000 0.32962686760000 0.10120173210000 0.03780452690000 0.02195192680000
* p-type functions
11 10
879.63218253
204.31262632
63.23165555
23.33434500
9.45450537
3.96418163
1.65083954
0.66386352
0.25259699
0.08933452
0.03159442
0.00102141850000 -0.00025891250000 0.00051187920000 -0.00150343970000 0.00110110490000 -0.00161758440000 0.00122553020000 -0.00131141020000 0.03214027490000 -0.08756275390000
0.00833033320000 -0.00211649820000 0.00417235260000 -0.01318357250000 0.01086405010000 -0.01590450240000 0.01400636730000 -0.04464381560000 -0.13777899720000 1.62274594460000
0.04221633140000 -0.01085287000000 0.02203987020000 -0.06668540620000 0.05152295110000 -0.08039445380000 0.06296741690000 -0.09139499430000 2.00964851770000 -1.87070449060000
0.14066471120000 -0.03698260460000 0.08101669110000 -0.29077785280000 0.29147485930000 -0.52079629570000 0.49452532070000 -1.62023996570000 -3.09115864240000 1.50911268080000
0.30484179850000 -0.08262774730000 0.18472529730000 -0.57094521350000 0.31863186200000 -0.08730673440000 -0.23962231350000 3.63831479670000 2.81395062120000 -1.06394538690000
0.42068526120000 -0.11894805390000 0.08468143140000 0.21695560660000 -0.70304559680000 1.65211997540000 -1.19217984080000 -4.11937796490000 -1.95458699540000 0.66856170340000
0.26674213350000 -0.07090617860000 -0.00619679490000 0.87587944420000 -0.51667337450000 -2.05401162530000 2.51195174900000 3.22552852360000 1.13606765860000 -0.37459585110000
0.03146166830000 0.25157799470000 -0.62652494190000 -0.10434242560000 1.88884621490000 0.95069199690000 -2.92635492600000 -1.96968684220000 -0.58173245140000 0.18943889750000
0.00169203010000 0.60826874810000 -0.33181115810000 -0.78859508770000 -1.60661132860000 0.38839299870000 2.65469387170000 1.02681410840000 0.27107119290000 -0.08760759150000
-0.00048554820000 0.29486433770000 0.93076908620000 0.51852777340000 0.26409818510000 -1.19850289170000 -2.13652907800000 -0.49171244700000 -0.11622686440000 0.03704340420000
0.00018002630000 -0.00141887120000 0.12141732760000 0.14161393200000 0.53184758340000 1.03849634510000 1.21808182720000 0.18248196420000 0.03792868690000 -0.01179181750000
* d-type functions
7 7
20.12334044
10.15473015
4.74399306
2.03155037
0.87001818
0.38684225
0.15239846
0.00496398240000 -0.12744594040000 0.09024061620000 -0.32989214500000 0.32964033140000 -0.53660625700000 2.25645633640000
0.00871654350000 -0.24337494950000 0.16978581430000 -0.43094602420000 0.25237975590000 -0.62282399690000 -3.96707363340000
0.02693408860000 -0.50905365760000 0.19753876450000 0.00732037800000 -0.32125935020000 2.42075044650000 3.32500589600000
0.03344886790000 -0.26521949650000 -0.02039571970000 0.90678467650000 -0.98421170700000 -2.96106619230000 -2.02899648350000
0.20676004720000 -0.03882958530000 -0.73062618870000 -0.05403342850000 2.38041162350000 2.37913993750000 1.13507923720000
0.55858138220000 0.15196084360000 -0.20660288920000 -0.90026729010000 -2.30401624610000 -1.33091349030000 -0.52565413060000
0.34733212630000 0.15438031860000 0.89033806320000 0.71888306890000 1.06454879950000 0.42668907860000 0.14972695100000
* f-type functions
5 5
13.71120046
6.02281738
2.22470524
0.76469620
0.29936921
0.00114669420000 -0.26830952520000 0.19148951530000 -0.32109655250000 1.43606157780000
0.00974719110000 -0.49608300940000 0.31331182620000 -0.55604415710000 -1.72959898300000
-0.00071051910000 -0.36209496710000 0.01423586190000 1.40379569230000 0.95359972730000
0.51619290800000 -0.15632276550000 -1.10726680600000 -1.05249353460000 -0.43162686050000
0.59354873300000 0.35230058220000 1.03159784990000 0.51597707840000 0.16365742570000
* g-type functions
1 1
0.55357102
1.00000000000000
/S.ANO-R.Zobel.17s11p7d5f2g.11s10p7d5f2g.
J.P. Zobel, P.-O. Widmark, V. Veryazov. J. Chem. Theory Comput. 16 (2020) 278-294. doi:10.1021/acs.jctc.9b00873
SULFUR (17s,11p,7d,5f,2g) -> [11s,10p,7d,5f,2g]
16.0 4
* s-type functions
17 11
1302321.28220000
186162.19480000
36823.49261100
9313.69480200
2826.62963130
978.95091902
372.15756349
150.78409824
63.68259753
27.56807646
12.06792850
5.27692841
2.27520227
0.95220413
0.37899178
0.13960504
0.05142478
0.00007305480000 -0.00002440460000 0.00000614890000 -0.00000218120000 0.00000991740000 -0.00002111990000 0.00002283300000 -0.00002437110000 0.00005958750000 -0.00006873440000 0.00024403860000
0.00027596080000 -0.00009220310000 0.00002323590000 -0.00000829800000 0.00003776550000 -0.00007999330000 0.00008562570000 -0.00010636720000 0.00011758410000 -0.00065483300000 0.00001103720000
0.00109092940000 -0.00036508820000 0.00009201380000 -0.00003236830000 0.00014696500000 -0.00031504640000 0.00034440770000 -0.00029186760000 0.00141955720000 0.00081188970000 0.00829342260000
0.00390681050000 -0.00130897040000 0.00033024610000 -0.00011934740000 0.00054456380000 -0.00114418740000 0.00120797880000 -0.00190005780000 -0.00099851430000 -0.01870325600000 -0.02186941100000
0.01301427330000 -0.00439467620000 0.00110995020000 -0.00038449780000 0.00174135960000 -0.00377928890000 0.00420896940000 -0.00188507730000 0.02867436940000 0.04772377430000 0.20549275080000
0.03948861520000 -0.01350327300000 0.00342839050000 -0.00126052940000 0.00578139410000 -0.01204179340000 0.01251747580000 -0.02585188440000 -0.04940712250000 -0.34021433910000 -0.44843915030000
0.10604084030000 -0.03774444730000 0.00966856360000 -0.00328433520000 0.01487505700000 -0.03297610310000 0.03776348630000 0.00098877680000 0.38573851840000 0.76343763000000 3.66984222370000
0.23419300880000 -0.09025164340000 0.02368489510000 -0.00892877960000 0.04147525710000 -0.08596131240000 0.08757710610000 -0.23997109990000 -0.67560623220000 -4.28453865030000 -6.74405469160000
0.37014608710000 -0.17440545530000 0.04788063360000 -0.01562164070000 0.07207837400000 -0.17529045670000 0.23139170610000 0.11286635990000 3.86128123160000 8.12388734850000 6.66389417000000
0.29330860160000 -0.19867676690000 0.05939879200000 -0.02526227660000 0.13373891940000 -0.33946488020000 0.45055290860000 -1.80110123060000 -8.55552987970000 -8.27246724440000 -4.94735524710000
0.06766951370000 0.02429167930000 -0.01069917500000 0.01398289930000 -0.13553433960000 0.63599431800000 -1.53823556840000 6.44887378490000 9.68413715160000 6.13848246230000 3.22216083840000
0.02806233610000 0.50124107410000 -0.20387393540000 0.05162784480000 -0.34338161720000 1.21479023050000 -0.67407842920000 -9.86088251400000 -7.44127400130000 -3.87446781710000 -1.94599898370000
0.02755708460000 0.53303652810000 -0.38670436710000 0.20379415510000 -0.68543074180000 -1.24220268370000 4.67178719830000 9.39776353680000 4.54658398910000 2.19768507940000 1.09600168270000
0.00390858910000 0.07449511990000 0.02516341850000 -0.12800047540000 1.25394496640000 -1.72663233690000 -6.41592925380000 -6.53536295510000 -2.38085237570000 -1.13103703090000 -0.56801115610000
-0.00001007340000 0.00163262930000 0.77679953090000 -0.17343646370000 1.08381294350000 3.51581777000000 5.20443698060000 3.59958236590000 1.09627656610000 0.52323953940000 0.26522556480000
0.00001799120000 -0.00027023840000 0.38205993650000 -0.99998241470000 -2.60677573090000 -2.79345113890000 -2.90117097140000 -1.61350367670000 -0.44096717840000 -0.21227929740000 -0.10829995080000
-0.00000238760000 0.00023174180000 0.00196996060000 1.65610825180000 1.27186696510000 1.03152355620000 0.93645833830000 0.47635343930000 0.12444178000000 0.06022749880000 0.03081603050000
* p-type functions
11 10
1004.99879720
231.87046968
71.71446810
26.44455465
10.69681872
4.48307061
1.87310932
0.75890884
0.29093408
0.10250427
0.03611514
0.00107466850000 -0.00028898860000 0.00042551430000 -0.00149089660000 0.00125488120000 -0.00178119120000 0.00128436110000 -0.00142684960000 0.03375464250000 -0.08481915580000
0.00873461450000 -0.00236142210000 0.00346834680000 -0.01323189890000 0.01162261590000 -0.01610059410000 0.01447020040000 -0.04264232460000 -0.15656826120000 1.61764628840000
0.04430305340000 -0.01209711670000 0.01818667740000 -0.06597660330000 0.05832724130000 -0.08956125120000 0.06715238260000 -0.09469037420000 2.02758999440000 -1.84238954840000
0.14753033360000 -0.04143015880000 0.06606238150000 -0.29340406220000 0.30517363400000 -0.53986577690000 0.51709803730000 -1.58456048120000 -3.10902628670000 1.46844714560000
0.31835116290000 -0.09200129910000 0.14758110650000 -0.53995940220000 0.37943358060000 -0.02386409900000 -0.37105801590000 3.62175178160000 2.83291424920000 -1.03074060100000
0.42615349640000 -0.13114386180000 0.09565444050000 0.21912543420000 -0.77394365000000 1.66833781590000 -0.96000009340000 -4.19672455540000 -1.97496279840000 0.65126029820000
0.24315723580000 -0.05276460430000 0.02453873480000 0.81354821520000 -0.52180204650000 -2.25341961360000 2.27947714230000 3.38933080400000 1.15435449870000 -0.36907350820000
0.02185055590000 0.31453087700000 -0.67273280810000 0.03234009720000 1.92793301450000 1.24183676540000 -2.76156908480000 -2.14306351620000 -0.59343704200000 0.18821233030000
0.00202736440000 0.59599641930000 -0.25450850940000 -0.90241322030000 -1.70304804020000 0.13658782470000 2.57952780080000 1.14992872480000 0.27524038250000 -0.08667273140000
-0.00085947330000 0.24396068690000 0.95608073460000 0.53471263070000 0.39874208330000 -1.03343035240000 -2.16247082120000 -0.56655005810000 -0.11697333200000 0.03620129720000
0.00027305700000 -0.00264588350000 0.10208883650000 0.14706434230000 0.43569886370000 0.97544850380000 1.29276322720000 0.21931977060000 0.03843039240000 -0.01151762930000
* d-type functions
7 7
21.45292372
10.56494478
4.86497590
2.10398807
0.93316769
0.43449440
0.17574472
0.00462896480000 -0.15587252130000 0.10860491260000 -0.38006789500000 0.38250326380000 -0.49885130400000 2.14100220810000
0.00940451480000 -0.28739784720000 0.18054783840000 -0.38264438120000 0.22498430960000 -0.55794297010000 -3.81546016790000
0.02284921880000 -0.49633952140000 0.21687120410000 0.09825119480000 -0.48826190960000 2.41169658520000 3.33492277790000
0.05165428280000 -0.20227111960000 -0.07482748170000 0.96434591330000 -0.74271225530000 -3.29721170180000 -2.17231914850000
0.27050256760000 -0.04545159080000 -0.84988760480000 -0.27958421230000 2.34509585750000 2.95567623410000 1.29001311050000
0.54048255890000 0.17763900210000 0.06450733120000 -0.81263573870000 -2.47938904510000 -1.75599088290000 -0.60543603640000
0.28284289790000 0.16106248220000 0.79931600930000 0.74595496050000 1.19572411730000 0.56691972870000 0.16437595260000
* f-type functions
5 5
14.29738707
5.96720916
1.97356875
0.81869061
0.32341480
0.00135276600000 -0.28276766350000 0.30541964350000 -0.42553710710000 1.29155515530000
0.00016013040000 -0.39295632030000 0.40463387680000 -0.29521901670000 -1.61823622050000
0.02930897620000 -0.42706713040000 -0.02440865210000 1.44278409820000 1.08122596620000
0.58078326380000 -0.20947683120000 -0.95310718130000 -1.40192121550000 -0.67221146030000
0.51156159850000 0.52476658110000 0.94933296160000 0.67858756040000 0.24906692320000
* g-type functions
2 2
1.39234273
0.54661180
0.33334565550000 -1.15976965240000
0.77451216190000 0.92537337530000
/Cl.ANO-R.Zobel.17s11p7d5f2g.11s10p7d5f2g.
J.P. Zobel, P.-O. Widmark, V. Veryazov. J. Chem. Theory Comput. 16 (2020) 278-294. doi:10.1021/acs.jctc.9b00873
CHLORINE (17s,11p,7d,5f,2g) -> [11s,10p,7d,5f,2g]
17.0 4
* s-type functions
17 11
1565493.47430000
219887.17137000
43211.04538300
10918.60873900
3317.02552950
1149.89210070
437.20151793
177.03976257
74.73380655
32.37003156
14.20653385
6.24444706
2.71325548
1.14599635
0.45987200
0.16992767
0.06279011
0.00007517640000 -0.00002552140000 0.00000667980000 -0.00000227600000 0.00001032820000 -0.00002214870000 0.00002395680000 -0.00002567010000 0.00005927870000 -0.00007410600000 0.00033091530000
0.00028269360000 -0.00009599170000 0.00002512810000 -0.00000862520000 0.00003916180000 -0.00008334980000 0.00008941150000 -0.00011116910000 0.00009140350000 -0.00068579080000 -0.00033152260000
0.00109511690000 -0.00037246250000 0.00009752330000 -0.00003291070000 0.00014921410000 -0.00032312320000 0.00035285340000 -0.00029861800000 0.00151749490000 0.00084083030000 0.00970359100000
0.00384631000000 -0.00130978240000 0.00034323600000 -0.00011948770000 0.00054355460000 -0.00114210740000 0.00121054130000 -0.00193049590000 -0.00208885110000 -0.01927482700000 -0.02578706950000
0.01262102960000 -0.00433107660000 0.00113657620000 -0.00037647040000 0.00170384740000 -0.00376038740000 0.00417455010000 -0.00173530910000 0.03200266840000 0.04981995410000 0.21386242380000
0.03800184340000 -0.01320112280000 0.00348075710000 -0.00123714320000 0.00565163660000 -0.01169129130000 0.01222903790000 -0.02604190320000 -0.06993635910000 -0.34651835850000 -0.47979407460000
0.10215043380000 -0.03689845580000 0.00982049230000 -0.00317702300000 0.01438966680000 -0.03271453760000 0.03723503250000 0.00337328270000 0.43703823630000 0.79376187640000 3.71533281530000
0.22758338860000 -0.08881027130000 0.02419158580000 -0.00884990570000 0.04087571480000 -0.08351073660000 0.08600574760000 -0.24309378980000 -0.92602315920000 -4.34085374670000 -6.74314484930000
0.36639729360000 -0.17379393020000 0.04956054770000 -0.01529234230000 0.07055726980000 -0.17846368250000 0.23135456370000 0.13207416780000 4.35223368320000 8.01763529430000 6.61837323890000
0.30156974270000 -0.20417009690000 0.06329779040000 -0.02644144840000 0.13669063120000 -0.33955005510000 0.46030006210000 -1.91874374180000 -9.09520327970000 -7.94210223000000 -4.90935764580000
0.07436053860000 0.00984522270000 -0.00575120250000 0.01384189230000 -0.12462550570000 0.59035917220000 -1.48622854310000 6.70651706190000 10.15017106770000 5.77740978920000 3.21537056250000
0.02822383050000 0.49509945030000 -0.21174505940000 0.04753424130000 -0.31694595910000 1.30913739370000 -0.85873689700000 -1.019150582750e1 -7.79981591290000 -3.62603167490000 -1.96029622350000
0.02867683360000 0.54307953160000 -0.40653146120000 0.21497707580000 -0.80531722300000 -1.30350544880000 4.94363876650000 9.68738536650000 4.78291964950000 2.06440182270000 1.11354360090000
0.00415025710000 0.07995821000000 0.03701176860000 -0.15518357510000 1.39234181700000 -1.74913291750000 -6.67068606550000 -6.71186429520000 -2.50725354110000 -1.06656540330000 -0.57885857830000
0.00005045500000 0.00210530940000 0.77870234500000 -0.10655896770000 1.00266891110000 3.57593900800000 5.38108116170000 3.67181608480000 1.14841496680000 0.49233753000000 0.26896021120000
0.00000481580000 -0.00013882680000 0.37944172200000 -1.07741356020000 -2.56481118320000 -2.82066248480000 -2.99310026920000 -1.63464549430000 -0.45786081290000 -0.19847146490000 -0.10885725450000
0.00000308360000 0.00020831530000 0.00108852560000 1.69133513400000 1.24125682670000 1.03020947610000 0.96314712010000 0.48104125200000 0.12869687680000 0.05615355710000 0.03085063230000
* p-type functions
11 10
1162.64935730
266.89300477
82.37857002
30.35500063
12.28349389
5.15885813
2.16498826
0.88300856
0.34100813
0.12067675
0.04270537
0.00108739000000 -0.00030461520000 0.00043196300000 -0.00138284020000 0.00137829180000 -0.00173050450000 0.00139377340000 -0.00172540350000 0.03414671940000 -0.09301908680000
0.00880617390000 -0.00248841440000 0.00355632020000 -0.01248022970000 0.01240311920000 -0.01396818790000 0.01705595720000 -0.04069601310000 -0.16625777700000 1.62061836800000
0.04490835470000 -0.01278395280000 0.01845537340000 -0.06122887360000 0.06396169240000 -0.08685744920000 0.07394758570000 -0.11017773300000 2.03710402540000 -1.82988633410000
0.15006242050000 -0.04418002850000 0.06808160200000 -0.27998052100000 0.32441639790000 -0.47277767600000 0.61254661320000 -1.54885043650000 -3.13616396670000 1.45236594690000
0.32480327190000 -0.09811817460000 0.14886448990000 -0.49301911770000 0.43470522110000 -0.13615996600000 -0.55979413120000 3.59687508140000 2.88693459170000 -1.02089583750000
0.42903334990000 -0.14055180240000 0.11639535480000 0.17456137770000 -0.83438091360000 1.78324102830000 -0.78167286170000 -4.22823665970000 -2.03940883980000 0.64910134910000
0.23086031490000 -0.03509967290000 0.00494851980000 0.80443366750000 -0.53019340120000 -2.39228287690000 2.15238134460000 3.49549878380000 1.20896460430000 -0.37099618170000
0.01784883320000 0.34468846990000 -0.76085430430000 0.08994631770000 1.93477866620000 1.38961558790000 -2.66211781290000 -2.30429968210000 -0.62988578250000 0.19052697170000
0.00226347120000 0.57322066570000 -0.10434654970000 -1.03385556410000 -1.75748009330000 0.04656980750000 2.50924663890000 1.32393606160000 0.29573155000000 -0.08792814760000
-0.00094573490000 0.23278446320000 0.90591216560000 0.63148058690000 0.50627526020000 -1.02083465720000 -2.13258976430000 -0.72740906180000 -0.12779102760000 0.03667651890000
0.00030110420000 -0.00179708810000 0.08244331480000 0.15292395620000 0.36350796890000 0.99947711390000 1.28929303990000 0.32154182220000 0.04319247140000 -0.01167957160000
* d-type functions
7 7
24.31259136
11.77165544
5.44971836
2.42135558
1.10743061
0.52452431
0.21310861
0.00457230040000 -0.15915401500000 0.11880489180000 -0.34905123080000 0.40607886150000 -0.53200098920000 2.09171250400000
0.00950128650000 -0.29176091190000 0.19795888820000 -0.33968783930000 0.23716646030000 -0.55021893230000 -3.84599851660000
0.02187954360000 -0.46076153270000 0.26238681480000 0.02494565800000 -0.41704956860000 2.54467757630000 3.56431550640000
0.05790310360000 -0.18431509000000 -0.04583058730000 0.94145682660000 -1.02947202280000 -3.55338821060000 -2.45880148530000
0.28794608470000 -0.12365543380000 -0.85708101410000 -0.05769645370000 2.62049055550000 3.15616003850000 1.49285707910000
0.53340427650000 0.20017595700000 0.05681289310000 -1.08020913730000 -2.54794433100000 -1.80754407770000 -0.69437338230000
0.26356906280000 0.22987224670000 0.80566903510000 0.85664667510000 1.15709562350000 0.55586548080000 0.18516769080000
* f-type functions
5 5
15.60805928
6.34348634
2.05419458
0.94379585
0.38113738
0.00154451490000 -0.12619720610000 0.38901061420000 -0.35796887590000 1.28221750550000
-0.00133825130000 -0.14532704710000 0.50649896420000 -0.44762925100000 -1.56481855030000
0.05068711570000 -0.50345277560000 0.28332975810000 1.64927366710000 1.05623957090000
0.58683588360000 -0.46477856460000 -0.92362997710000 -1.67794088340000 -0.69122062030000
0.48492109610000 0.86300153070000 0.70470262170000 0.76853337670000 0.23544511550000
* g-type functions
2 2
1.57364799
0.63597318
0.34702649700000 -1.17666687820000
0.75813933650000 0.96446725100000
/Ar.ANO-R.Zobel.17s12p7d5f2g.12s11p7d5f2g.
J.P. Zobel, P.-O. Widmark, V. Veryazov. J. Chem. Theory Comput. 16 (2020) 278-294. doi:10.1021/acs.jctc.9b00873
ARGON (17s,12p,7d,5f,2g) -> [12s,11p,7d,5f,2g]
18.0 4
* s-type functions
17 12
1932006.32560000
268707.70405000
52366.11998900
13135.31540300
3964.39358110
1366.32705560
516.89344097
208.46767694
87.75032771
37.95199247
16.65654632
7.33224738
3.19477836
1.35431894
0.54555855
0.20219383
0.07493668
0.00007497480000 -0.00002589420000 0.00000696560000 -0.00000228770000 0.00001045390000 -0.00002197030000 0.00002479950000 -0.00002612810000 0.00006133340000 -0.00007543170000 0.00030378800000 -0.01556338200000
0.00027887540000 -0.00009633920000 0.00002591920000 -0.00000857900000 0.00003919660000 -0.00008168220000 0.00009183740000 -0.00011285020000 0.00010508280000 -0.00068793950000 -0.00015723480000 0.06809124120000
0.00106213120000 -0.00036750970000 0.00009890480000 -0.00003214540000 0.00014689780000 -0.00031222020000 0.00035392320000 -0.00028891220000 0.00148751670000 0.00086394780000 0.00928078700000 -0.25508101680000
0.00368105000000 -0.00127524710000 0.00034345230000 -0.00011547910000 0.00052792320000 -0.00108330020000 0.00121295090000 -0.00194424470000 -0.00179936250000 -0.01917625540000 -0.02542875070000 0.84434423640000
0.01198584350000 -0.00418346080000 0.00112844720000 -0.00035907190000 0.00164079160000 -0.00356729760000 0.00407082920000 -0.00137819070000 0.03077673990000 0.05070343340000 0.21343986620000 -2.22246591920000
0.03604021720000 -0.01272636440000 0.00344807690000 -0.00118701550000 0.00543915860000 -0.01094248670000 0.01223135360000 -0.02662764040000 -0.06518591660000 -0.34641438940000 -0.48953584560000 5.36349138780000
0.09744405650000 -0.03572802190000 0.00977254790000 -0.00302684230000 0.01386884430000 -0.03120099240000 0.03607234640000 0.00841146020000 0.42210007230000 0.81176512030000 3.70934377180000 -7.24436654640000
0.21983769160000 -0.08681940270000 0.02428937760000 -0.00863331340000 0.03989053220000 -0.07893532420000 0.08833817450000 -0.25622259760000 -0.87520590540000 -4.36569669450000 -6.67037750050000 6.62146570070000
0.36207874060000 -0.17257126110000 0.05055257260000 -0.01485310460000 0.06948129920000 -0.17417685480000 0.22313068840000 0.18567374070000 4.28891166480000 8.03536425990000 6.52064562240000 -4.99456297840000
0.31131142370000 -0.21003778370000 0.06686470980000 -0.02730717200000 0.13878132910000 -0.33268389000000 0.50400617130000 -2.07874988460000 -9.00540203250000 -7.99870018240000 -4.84514483710000 3.46009771890000
0.08248202740000 -0.00667455070000 0.00020937450000 0.01300095980000 -0.10989441830000 0.51258158500000 -1.47534063660000 6.93554644800000 10.03014055720000 5.86981070500000 3.19216093840000 -2.27846213830000
0.02879614680000 0.48846789060000 -0.21694894540000 0.04374052010000 -0.30414515750000 1.36654120180000 -1.01744337160000 -1.039010988790e1 -7.69357980530000 -3.71319066450000 -1.96012697760000 1.41930472250000
0.03042388890000 0.55472656860000 -0.42469901240000 0.22319317440000 -0.88726515600000 -1.23116253120000 5.13549089710000 9.81453785610000 4.71714681520000 2.12499189640000 1.12014919130000 -0.82087824170000
0.00440073460000 0.08474676120000 0.04781591690000 -0.17648295380000 1.48713093790000 -1.91280517240000 -6.76718790860000 -6.77944256210000 -2.47587217750000 -1.10057516390000 -0.58429545910000 0.43125595950000
0.00013427640000 0.00264168750000 0.78037147100000 -0.05057530160000 0.94523492910000 3.73653546480000 5.40269009580000 3.70222887910000 1.13511169970000 0.50790915980000 0.27157970480000 -0.20115957910000
-0.00001847090000 -0.00007190280000 0.37583083540000 -1.14211095090000 -2.53416079920000 -2.91009128970000 -2.99047915170000 -1.64603675880000 -0.45235987670000 -0.20431940800000 -0.10972463750000 0.08139911590000
0.00001159560000 0.00020185160000 0.00035785880000 1.72085500050000 1.21723833370000 1.05146997350000 0.95745075390000 0.48343464630000 0.12702900690000 0.05769864130000 0.03104263960000 -0.02304247400000
* p-type functions
12 11
2311.61710770
522.21228654
158.41135353
58.08832140
23.81706906
10.32502474
4.55166660
1.98591568
0.84033436
0.33851979
0.12701070
0.04765369
0.00046524930000 -0.00013448990000 0.00019682030000 -0.00058993700000 0.00061155550000 -0.00056246840000 0.00064641290000 -0.00107368610000 0.00376850070000 -0.03027602200000 0.11535648350000
0.00376194760000 -0.00108631750000 0.00152516330000 -0.00448232920000 0.00548649410000 -0.00661997380000 0.00534206120000 -0.00773210120000 -0.06961519230000 0.14445416490000 -1.61962288220000
0.02080888220000 -0.00608094500000 0.00901860480000 -0.02770348510000 0.02904592190000 -0.02721180070000 0.03291935010000 -0.05632514380000 0.18848479420000 -2.03777852790000 1.82632578490000
0.07841607030000 -0.02324823270000 0.03358446410000 -0.10715795560000 0.14455607210000 -0.20082289240000 0.19324693370000 -0.30484197500000 -2.34168882480000 2.90674482720000 -1.51782492920000
0.20695879570000 -0.06376976350000 0.10495905920000 -0.38631093700000 0.46167676640000 -0.50779397790000 0.59723675170000 -1.00853590840000 4.32016191730000 -2.57680637060000 1.14883394540000
0.36840447300000 -0.11700714950000 0.14675896880000 -0.28891019930000 0.16394296670000 0.40468296880000 -1.52584191420000 3.43981250000000 -4.48843867440000 1.84792645390000 -0.79997612050000
0.38291971910000 -0.13260609470000 0.12750722230000 0.31864615760000 -1.20154436250000 1.49580019630000 1.13665887650000 -4.78557402650000 3.38888594080000 -1.15924471600000 0.50577656900000
0.13841936980000 0.06148879990000 -0.20265214050000 0.85037115820000 0.32527939360000 -3.14802700530000 0.22700120010000 4.48366418610000 -2.07143721490000 0.65443805880000 -0.28959752400000
0.00458050890000 0.42363656960000 -0.81320696470000 -0.32185114120000 1.40835777180000 2.90515176170000 -1.48222987360000 -3.39132368630000 1.09798892450000 -0.33706131620000 0.15072862660000
0.00064411950000 0.50345123530000 0.27810398430000 -0.90366616490000 -1.87726035720000 -1.40996844180000 2.19048265090000 2.31948012630000 -0.52575499980000 0.15879233690000 -0.07130813720000
-0.00095610820000 0.16848663400000 0.75451718830000 0.79244492010000 0.86401968580000 -0.07439903090000 -2.36568302040000 -1.53857693190000 0.22901714740000 -0.06781885940000 0.03038031920000
0.00019455020000 -0.00094197430000 0.04113243150000 0.08920970470000 0.18882773150000 0.59988153530000 1.55824541370000 0.77006406780000 -0.07450311380000 0.02150820550000 -0.00955294950000
* d-type functions
7 7
26.35108398
12.38811993
5.70060159
2.58371574
1.21855751
0.59195048
0.24509847
0.00494407710000 -0.17114362730000 0.15168860090000 -0.35346597600000 0.42221167820000 -0.62380822520000 1.95932598660000
0.01084473340000 -0.30636039910000 0.23917811630000 -0.29954063440000 0.19670675320000 -0.35524925200000 -3.76722836540000
0.02205623590000 -0.41070207450000 0.30701933050000 0.02972511110000 -0.41504146760000 2.45766028300000 3.80188729920000
0.07716947590000 -0.17048657430000 -0.12112070430000 1.02763857600000 -1.08321523290000 -3.74330676870000 -2.88242983590000
0.32671429730000 -0.19219115730000 -0.87579205140000 -0.23291762700000 2.79838772700000 3.48143390680000 1.85443940470000
0.50779457350000 0.25877989070000 0.20236538790000 -1.04937911500000 -2.73677231460000 -2.01174320140000 -0.87449063870000
0.22749042360000 0.27207813700000 0.71858245610000 0.91353171010000 1.24326830240000 0.60651060320000 0.22966338960000
* f-type functions
5 5
17.55987710
7.04622110
2.33194323
1.12109467
0.46230057
0.00173510540000 -0.07069913880000 0.28362627140000 -0.36348300800000 1.30524190880000
-0.00235244460000 -0.06422151300000 0.41114801020000 -0.68964480100000 -1.53879995720000
0.06173713980000 -0.53006957110000 0.76954637940000 1.68669379110000 1.05836883020000
0.59927290950000 -0.49503263070000 -1.33198522310000 -1.61811403980000 -0.69787813870000
0.45804239890000 0.93889827360000 0.80853547730000 0.68246904880000 0.22837410500000
* g-type functions
2 2
1.83504747
0.75086465
0.35752261900000 -1.18306920870000
0.74714908020000 0.98450161380000
/K.ANO-R.Zobel.19s12p6d4f3g.13s10p6d4f3g.
J.P. Zobel, P.-O. Widmark, V. Veryazov. J. Chem. Theory Comput. 16 (2020) 278-294. doi:10.1021/acs.jctc.9b00873
POTASSIUM (19s,12p,6d,4f,3g) -> [13s,10p,6d,4f,3g]
19.0 4
* s-type functions
19 13
2068748.91180000
286697.59358000
55482.39679000
13812.37282100
4141.71568710
1420.53727890
535.65306122
215.57690960
90.60693619
39.14090634
17.16686202
7.56354278
3.31066202
1.42013864
0.58617508
0.22705738
0.07979164
0.02432526
0.00741579
0.00008291580000 -0.00002890790000 0.00000878650000 -0.00000156500000 0.00000687640000 -0.00000855620000 0.00000958190000 -0.00001787060000 0.00001273490000 -0.00003393960000 0.00003982020000 -0.00001778550000 0.00210190880000
0.00030692780000 -0.00010704270000 0.00003253470000 -0.00000580000000 0.00002580490000 -0.00003158480000 0.00003473300000 -0.00006082910000 0.00004777370000 -0.00015923280000 0.00000334300000 -0.00161631090000 -0.00301928000000
0.00116613780000 -0.00040734860000 0.00012389960000 -0.00002204380000 0.00009516980000 -0.00012108450000 0.00013889990000 -0.00027993660000 0.00017713430000 -0.00030993550000 0.00131156260000 0.00113352380000 0.01965694180000
0.00403898120000 -0.00141309400000 0.00042980950000 -0.00007676930000 0.00035068360000 -0.00041545200000 0.00043928320000 -0.00065433660000 0.00064392350000 -0.00300284500000 -0.00398519540000 -0.01758458000000 -0.05642250110000
0.01314243270000 -0.00463348480000 0.00141348140000 -0.00025093940000 0.00104322190000 -0.00139006050000 0.00167154680000 -0.00385524100000 0.00198077810000 0.00031907970000 0.03093229310000 -0.02771625850000 0.23364066150000
0.03942999760000 -0.01408379860000 0.00430822580000 -0.00077218720000 0.00367085210000 -0.00414660590000 0.00411311830000 -0.00424855600000 0.00666368930000 -0.04403085060000 -0.10106042820000 -0.14721287960000 -0.59539170990000
0.10580303780000 -0.03932922470000 0.01218374000000 -0.00215950390000 0.00851839870000 -0.01210976320000 0.01544250070000 -0.04097533620000 0.01699033740000 0.04540205630000 0.40005467480000 -0.61659086180000 3.75454157020000
0.23463775340000 -0.09459147750000 0.02990384430000 -0.00540034840000 0.02704638100000 -0.02883963930000 0.02611517240000 -0.00841946300000 0.05025497800000 -0.45152387500000 -1.26568221240000 -1.51054309700000 -7.75867137750000
0.37070517440000 -0.18292208940000 0.06099004860000 -0.01082519600000 0.03784744980000 -0.06295134950000 0.08985296840000 -0.29260202080000 0.09402999070000 0.55466683780000 5.19517324350000 4.40269582900000 8.86364072540000
0.29120348550000 -0.20571204390000 0.07383923870000 -0.01382369800000 0.08883070540000 -0.07540278950000 0.03648409560000 0.27531244800000 0.13421042340000 -2.85279781980000 -9.82884781190000 -4.17212579600000 -7.19421931150000
0.06701268290000 0.03691012500000 -0.01630078410000 0.00405572740000 -0.09500385580000 0.03005080290000 0.09065957430000 -1.12731083970000 -0.10790509920000 7.80773795590000 10.37163645470000 2.57575920030000 4.85712861610000
0.03242880400000 0.53692261900000 -0.28250199810000 0.05174972730000 0.01424942140000 0.31601943410000 -0.78161114380000 4.76686483210000 -1.83151105720000 -1.005352632240e1 -7.72109632160000 -1.40807278090000 -2.99999771730000
0.02766675490000 0.49043850320000 -0.44107832730000 0.09800378820000 -1.12991718550000 1.11081381140000 -0.48985892530000 -7.64330358700000 4.06337001000000 8.22636942230000 4.74609291300000 0.76985364950000 1.74934594220000
0.00317767610000 0.05649046780000 0.16435486000000 -0.05619099360000 1.36923553460000 -3.16925457010000 3.77324372950000 6.79003342020000 -4.62843364820000 -5.20497910200000 -2.60607425740000 -0.41296356750000 -0.95486161040000
0.00081345700000 0.02758140380000 0.77831553040000 -0.18323141860000 0.96868743040000 2.33481188790000 -5.71792201160000 -4.06104053640000 4.07406937020000 2.85410832230000 1.30573864420000 0.20681181810000 0.47845396060000
0.00019392840000 0.00651103000000 0.31637052520000 -0.29919937480000 -1.72502139760000 0.50697146670000 5.17428003630000 1.52663151740000 -3.38063165010000 -1.45367740550000 -0.59513851710000 -0.09411652990000 -0.21685078990000
0.00002174240000 0.00069181290000 -0.01382428960000 0.25048409460000 -0.08762322480000 -1.99555099050000 -3.20631532610000 0.19701557730000 2.91410581410000 0.74400668950000 0.24755209180000 0.03880602300000 0.08861343970000
-0.00000811350000 -0.00024766140000 0.00636698600000 0.90447049500000 0.50199092270000 1.06680874760000 1.02568388760000 -1.07782113710000 -2.68729380180000 -0.43448175980000 -0.09809932500000 -0.01499398510000 -0.03346271800000
0.00000244940000 0.00007430700000 -0.00183868380000 0.03421720750000 0.03556682100000 0.07125099740000 0.14403654860000 0.90568394610000 1.70806560240000 0.21701782150000 0.03180294610000 0.00465206190000 0.00994895110000
* p-type functions
12 10
2896.77682170
646.08811405
194.83773216
71.26864209
29.21393823
12.69725501
5.63788970
2.49530451
1.08157193
0.45165335
0.17798860
0.07014216
0.00041170530000 -0.00012598660000 0.00003133670000 -0.00019489860000 0.00030821580000 -0.00030954590000 0.00004116620000 -0.00231815470000 0.00436365810000 -0.02750721830000
0.00329969030000 -0.00100776880000 0.00027974220000 -0.00146859070000 0.00184588240000 -0.00153558430000 0.00943164070000 0.00581976790000 -0.08308223600000 0.11080739380000
0.01844993620000 -0.00570609840000 0.00140448580000 -0.00893453140000 0.01454161880000 -0.01489846250000 -0.00173108470000 -0.11999753200000 0.17711339450000 -1.99681278810000
0.07080161510000 -0.02217566970000 0.00625558040000 -0.03269039310000 0.04148944370000 -0.03513410470000 0.24881955920000 0.17154817440000 -2.38670226100000 2.87820447930000
0.19283560380000 -0.06286347670000 0.01507397540000 -0.10491207030000 0.19310378210000 -0.21462023430000 -0.05715603470000 -2.46124977670000 3.88964685510000 -2.58722838300000
0.35671259880000 -0.11981558420000 0.03628726140000 -0.16874904430000 0.14745137790000 -0.04316733540000 1.84974682520000 4.62103304160000 -3.46766494780000 1.89184518550000
0.39204376810000 -0.14395884830000 0.02564134030000 -0.22571632610000 0.46936605420000 -0.59742566740000 -4.35558486500000 -4.39221724860000 2.29562316390000 -1.21832819590000
0.15886435410000 0.04133436100000 0.01467279980000 0.29282290720000 -1.65626556100000 2.74717369400000 4.62114118900000 2.88780839040000 -1.31255113770000 0.71275638580000
0.00897315510000 0.39860022500000 -0.19427668100000 1.02423862480000 0.67422601100000 -4.24331522300000 -3.22400291330000 -1.55289346940000 0.69198633080000 -0.38300461300000
0.00184472080000 0.51260348050000 0.01998693750000 -0.58464133950000 1.35201561930000 4.01171650200000 1.74794798750000 0.74443411850000 -0.33668291300000 0.18755069740000
-0.00065819840000 0.19111496490000 -0.54249115140000 -0.96323358810000 -1.94383411340000 -2.63849802110000 -0.78667075990000 -0.31840101410000 0.14608698770000 -0.08137739370000
0.00021144920000 0.00080877120000 1.33811403150000 0.66451033300000 0.87367261600000 0.96203137360000 0.24449583550000 0.09770220920000 -0.04520108470000 0.02516550140000
* d-type functions
6 6
4.43779781
2.54147722
1.45271853
0.76316508
0.36608062
0.16839574
0.06271194710000 -0.03803626130000 0.20698302310000 -0.14289996510000 0.91764502500000 -3.68836942810000
0.01885319750000 0.10651844770000 -0.55853773800000 0.74863635570000 -5.06672744790000 6.74347382260000
0.32867417460000 0.75293762590000 -0.39975869240000 0.98015674290000 7.57000023940000 -5.70276571220000
0.43678842040000 -0.16248524640000 0.26918615310000 -3.29633559810000 -5.76335299360000 2.95825951730000
0.28412859170000 -0.34640984980000 1.29679577160000 3.13474208490000 2.90017206470000 -1.09309522550000
0.02499352070000 -0.58132708320000 -1.41344169580000 -1.32254637130000 -0.87990645940000 0.26710614890000
* f-type functions
4 4
1.98583492
1.20535524
0.60949473
0.25923088
0.14638271060000 -0.65389877200000 0.69846379780000 -2.65874497780000
0.49246334480000 -0.36289570540000 -0.06248219010000 4.23004156940000
0.41381793160000 0.73531703350000 -1.27629954420000 -2.69458832430000
0.06942116830000 0.36966057640000 1.32086896790000 0.91331803660000
* g-type functions
3 3
2.33040173
1.09700064
0.50021547
0.21726944030000 -0.13127382260000 1.48104356730000
0.67996868750000 -0.84785115570000 -1.62095570670000
0.23434469550000 1.26884654010000 0.69038507450000
/Ca.ANO-R.Zobel.19s13p6d5f2g.14s11p6d5f2g.
J.P. Zobel, P.-O. Widmark, V. Veryazov. J. Chem. Theory Comput. 16 (2020) 278-294. doi:10.1021/acs.jctc.9b00873
CALCIUM (19s,13p,6d,5f,2g) -> [14s,11p,6d,5f,2g]
20.0 4
* s-type functions
19 14
2300423.37720000
322665.23714000
62239.75676400
15348.08129200
4556.73319350
1551.67229890
583.12643972
234.68957437
98.84926302
42.81104822
18.80684103
8.28693802
3.62529823
1.55767239
0.64894301
0.25786971
0.09565765
0.03220837
0.01084471
0.00009058850000 -0.00002369100000 0.00000631440000 -0.00000230810000 0.00000304760000 -0.00000873830000 0.00001262770000 -0.00000702340000 0.00001972490000 -0.00003281060000 0.00006239010000 -0.00035500610000 0.00257120400000 -0.00411184840000
0.00032836080000 -0.00008591810000 0.00002289430000 -0.00000837050000 0.00001107640000 -0.00003186830000 0.00004472080000 -0.00002370480000 0.00006526820000 -0.00016199740000 0.00009394700000 -0.00007669330000 -0.01145781920000 0.03129864420000
0.00124076330000 -0.00032534670000 0.00008670360000 -0.00003169280000 0.00004172530000 -0.00011903470000 0.00017877870000 -0.00010542910000 0.00030315110000 -0.00023711100000 0.00151912410000 -0.00467718440000 0.02105571590000 -0.11310072020000
0.00428987090000 -0.00112758250000 0.00030018010000 -0.00010984210000 0.00014602000000 -0.00042355590000 0.00055862310000 -0.00026307670000 0.00068292420000 -0.00326714310000 -0.00228504600000 -0.00363731980000 -0.09047059270000 0.26935388690000
0.01396200920000 -0.00370776240000 0.00098688390000 -0.00036100880000 0.00047234470000 -0.00133206580000 0.00216278420000 -0.00141526540000 0.00423293940000 0.00226233000000 0.03266464050000 -0.05432704000000 0.07540127320000 0.59787592390000
0.04183082990000 -0.01131373670000 0.00299919520000 -0.00110121780000 0.00147497870000 -0.00433745080000 0.00515925790000 -0.00186982860000 0.00405307700000 -0.05114510620000 -0.07914443970000 -0.11666827340000 0.12482611950000 -3.86618706260000
0.11179349150000 -0.03189906020000 0.00842199070000 -0.00309969040000 0.00402151240000 -0.01115874230000 0.02010852250000 -0.01473363660000 0.04582855880000 0.07620347330000 0.45284017840000 -0.71026330100000 -3.20772308690000 6.26640554170000
0.24639030030000 -0.07831137240000 0.02039190430000 -0.00760092110000 0.01029660110000 -0.03090584960000 0.03152664250000 -0.00549040430000 0.00122303540000 -0.54786348400000 -1.08232879690000 -1.36920157030000 7.38219361030000 -6.14857813480000
0.38721139660000 -0.15845812010000 0.04088361830000 -0.01541409130000 0.01966003220000 -0.05287657380000 0.11808305300000 -0.10199678380000 0.33329224270000 0.91807647230000 4.71084230300000 4.63413287090000 -8.74331408080000 4.80526699760000
0.30428572200000 -0.18763378370000 0.04828424260000 -0.01864040780000 0.02681130260000 -0.08959150170000 0.03000307610000 0.07915933910000 -0.35076817080000 -3.54991806690000 -9.21363312650000 -4.92331205010000 7.18140419480000 -3.37403725460000
0.05959280050000 0.05793801370000 -0.01273991490000 0.00560037410000 -0.01343410850000 0.07784721670000 0.12818978740000 -0.31747562890000 1.26858866630000 8.53625180540000 9.56958931140000 3.42939142910000 -4.84485558400000 2.23332378290000
-0.01964188800000 0.60239090210000 -0.22086295330000 0.08068614600000 -0.09008275730000 0.14565432530000 -1.03795855500000 1.32704098460000 -5.32165098250000 -1.047044221170e1 -6.87278141970000 -2.04485453960000 2.98378999270000 -1.41080250080000
-0.01777345240000 0.54026679650000 -0.37520341470000 0.12902884860000 -0.23317937920000 1.17839311240000 -0.36444348260000 -1.50943798540000 9.11527222530000 8.31936020980000 4.11497603670000 1.16417684770000 -1.74954590300000 0.84716474670000
-0.00268945400000 0.00606136130000 0.25292523920000 -0.08729401420000 0.24904145110000 -2.11186828820000 4.07539729890000 -0.08549839000000 -9.22625500720000 -5.17957347680000 -2.26577305760000 -0.64096034020000 0.97659366100000 -0.47895130590000
-0.00436477570000 -0.10241189580000 0.80038683720000 -0.31590305960000 0.41051038070000 -0.35406851340000 -5.77502917450000 2.16922524680000 6.98850154350000 2.81763286500000 1.17560371680000 0.33433953180000 -0.51166655870000 0.25225786400000
-0.00091963040000 -0.03547468530000 0.23326970170000 -0.34178159900000 0.34368818840000 2.82737710600000 4.18652777720000 -3.56425653310000 -4.48181242210000 -1.39534758630000 -0.56840013940000 -0.16195855230000 0.24805484900000 -0.12251625220000
-0.00003484530000 0.00353184580000 -0.01348017730000 0.64026607510000 -2.02299220440000 -2.12082165490000 -1.45787307330000 4.01342469790000 2.54423910870000 0.63357140990000 0.25208766830000 0.07175094060000 -0.10986814450000 0.05429319080000
0.00001252950000 -0.00152192720000 0.00640455890000 0.66850614810000 1.26643863480000 0.37235147500000 -0.34931774240000 -3.64162452720000 -1.33548711580000 -0.26383498830000 -0.10126237220000 -0.02867798030000 0.04389495980000 -0.02169287050000
-0.00000469330000 0.00041444970000 -0.00156060860000 -0.01069286610000 0.33612528080000 0.34120797690000 0.60893598960000 2.00819545270000 0.52053800200000 0.08171002160000 0.02980714350000 0.00836637940000 -0.01279957480000 0.00632477140000
* p-type functions
13 11
3106.66318230
680.79734872
205.98783533
75.68387043
30.99688612
13.41866043
5.95304068
2.65545368
1.17041837
0.49660284
0.19389574
0.06467498
0.02157269
0.00046043230000 -0.00015038630000 0.00003468080000 -0.00018493770000 0.00019525250000 -0.00032525550000 0.00024913600000 -0.00013237070000 0.00371101960000 -0.00640345350000 0.02468543370000
0.00370403320000 -0.00121212830000 0.00027654360000 -0.00140708900000 0.00140886460000 -0.00237737310000 0.00242148020000 0.01090507340000 -0.01755340260000 0.08966931680000 -0.06617153370000
0.02027134850000 -0.00669702600000 0.00154853930000 -0.00834740280000 0.00892579790000 -0.01502551210000 0.01126721560000 -0.01311869570000 0.21134075970000 -0.37394107220000 1.92923913720000
0.07700747400000 -0.02592481570000 0.00592311320000 -0.03040734550000 0.03084361580000 -0.05409410660000 0.05835265740000 0.29286859190000 -0.50028182660000 2.64057777570000 -2.57031222960000
0.20732585060000 -0.07242443050000 0.01691515960000 -0.09609031510000 0.10891547670000 -0.19702215180000 0.15184029540000 -0.23105596960000 2.90143581110000 -3.85991655570000 2.05194534710000
0.37455391260000 -0.13665191130000 0.03113985350000 -0.14964591530000 0.13838181960000 -0.20533312470000 0.24346696880000 2.01274595740000 -4.96058559380000 3.13451019100000 -1.36526974060000
0.37935441620000 -0.14678317920000 0.03541339460000 -0.19430601540000 0.20105795270000 -0.27079492040000 -0.04801925520000 -4.66821361840000 4.60005262840000 -1.92159780640000 0.85532731090000
0.13145788290000 0.08436285080000 -0.02836227970000 0.33067028990000 -0.65209793130000 1.93093383280000 -1.75616065420000 5.30957966760000 -3.02346680400000 1.05505804190000 -0.51155030750000
0.00651318600000 0.45538112880000 -0.11885810170000 0.82519738340000 -0.49921489290000 -2.00522919160000 3.47255668670000 -4.02782148990000 1.62357903980000 -0.54705152950000 0.28147655060000
0.00112274060000 0.49149032070000 -0.15983801210000 -0.50302077540000 1.56842374390000 0.34255720990000 -3.75648282780000 2.31855685380000 -0.75756599780000 0.25823025800000 -0.13632850090000
-0.00037884400000 0.11931080780000 0.03669114600000 -0.77690739810000 -0.88487218670000 1.07708476640000 2.89212216640000 -1.07787901210000 0.30783255260000 -0.10644302030000 0.05662596980000
0.00012939800000 -0.00318450230000 0.68921372150000 0.21021068310000 -0.59732842060000 -1.42283690720000 -1.81857099580000 0.44343796100000 -0.11355001850000 0.03956600690000 -0.02109915710000
-0.00004281070000 0.00174477570000 0.39067868500000 0.37038809630000 0.88512003450000 0.88909911970000 0.83702714690000 -0.15110135290000 0.03535623910000 -0.01229307770000 0.00658119410000
* d-type functions
6 6
4.82393192
2.67433449
1.52254196
0.79811893
0.37044395
0.15788017
0.07468927530000 -0.01085521070000 0.16443724450000 -0.23579447970000 0.23037452400000 -3.45696306900000
0.05759046990000 -0.01271502230000 -0.61735147520000 1.29080444220000 -3.58230088930000 6.80876190840000
0.38622662270000 -0.44601180040000 -0.50127856820000 -0.00534341660000 6.29507177390000 -6.31096975270000
0.42493742820000 0.11822818860000 0.38304445220000 -2.35440018950000 -5.07457230100000 3.50447695530000
0.19807808040000 -0.10156567450000 1.14544582630000 2.48852009480000 2.54636780560000 -1.35545880770000
0.02235108780000 1.01772094330000 -0.97821123270000 -1.04734219570000 -0.77262954000000 0.35886911430000
* f-type functions
5 5
2.79103259
1.28938860
0.61005238
0.23218484
0.10148446
0.14674393360000 -0.31521463660000 0.35437820340000 -0.48063305430000 1.56999324330000
0.64136590560000 -0.47729809830000 0.33038391620000 -0.03615610860000 -2.51120609940000
0.28510968200000 0.57218778380000 -0.80990959220000 1.07910376760000 2.02544151960000
0.07166808240000 0.36013300000000 -0.05068935280000 -1.76277124570000 -1.08074865970000
0.01373693830000 0.34762231880000 0.88020697410000 1.12758259380000 0.45402023070000
* g-type functions
2 2
1.72510552
0.77178184
0.71843864940000 -1.09960469730000
0.37134057990000 1.25991696430000
/Sc.ANO-R.Zobel.19s12p8d5f4g.14s10p8d5f4g.
J.P. Zobel, P.-O. Widmark, V. Veryazov. J. Chem. Theory Comput. 16 (2020) 278-294. doi:10.1021/acs.jctc.9b00873
SCANDIUM (19s,12p,8d,5f,4g) -> [14s,10p,8d,5f,4g]
21.0 4
* s-type functions
19 14
2727602.05170000
380337.22292000
72930.42816800
17877.51156200
5277.06302430
1787.45300750
668.74931124
268.27837100
112.79885574
48.84695183
21.48986765
9.49497003
4.16760250
1.79584213
0.74886014
0.29666675
0.10899340
0.03599002
0.01188404
0.00008368380000 -0.00004385290000 0.00000928220000 -0.00000237500000 0.00000339190000 -0.00000855760000 0.00001114800000 -0.00000766650000 0.00002122810000 -0.00004237090000 0.00007761680000 -0.00010610480000 0.00109041220000 -0.01872905950000
0.00030053950000 -0.00015754210000 0.00003335120000 -0.00000853480000 0.00001219970000 -0.00003090370000 0.00003961410000 -0.00002646350000 0.00006932680000 -0.00017596120000 0.00015376350000 -0.00077919320000 -0.00242334510000 0.08582744640000
0.00111914510000 -0.00058737350000 0.00012449250000 -0.00003184850000 0.00004543020000 -0.00011393890000 0.00015167130000 -0.00010830950000 0.00032050510000 -0.00044890080000 0.00166180760000 -0.00003972830000 0.01516726750000 -0.28811425090000
0.00382224560000 -0.00200896450000 0.00042607910000 -0.00010907170000 0.00015620980000 -0.00039957370000 0.00049509320000 -0.00030880910000 0.00069176650000 -0.00290729490000 -0.00126964720000 -0.01733912030000 -0.03751628800000 0.86268378820000
0.01234054650000 -0.00652412650000 0.00139087310000 -0.00035571150000 0.00050609050000 -0.00125176870000 0.00174433660000 -0.00134185950000 0.00445558840000 -0.00216860580000 0.03325184230000 0.02870884300000 0.25029993170000 -2.69528054710000
0.03684017240000 -0.01968170520000 0.00422498970000 -0.00108226700000 0.00155508130000 -0.00404459730000 0.00474361200000 -0.00259351650000 0.00369738920000 -0.03994235870000 -0.06167883200000 -0.30624696260000 -0.39211766300000 5.68921095250000
0.09841948170000 -0.05424371280000 0.01193113530000 -0.00305116500000 0.00432617850000 -0.01049074970000 0.01558773800000 -0.01312015760000 0.04888818310000 0.01255492710000 0.47710225320000 0.43868998450000 3.44619257660000 -7.22725047890000
0.21702607020000 -0.12772479410000 0.02934286470000 -0.00753017720000 0.01087571930000 -0.02898883310000 0.03154773380000 -0.01354765640000 -0.00509705480000 -0.40152934670000 -0.88561204930000 -3.64713648390000 -6.75410835140000 6.57219888060000
0.33908485380000 -0.23603193180000 0.06018786530000 -0.01542064560000 0.02172855210000 -0.05068312160000 0.08678408290000 -0.08470372670000 0.36534645580000 0.35409090380000 4.18222800150000 7.48211826930000 7.05410245350000 -5.01617547780000
0.26152716760000 -0.25129860550000 0.07421157870000 -0.01923549070000 0.02853167460000 -0.08597818520000 0.06733054940000 0.01818586260000 -0.40333589010000 -2.50363927080000 -8.94880414560000 -7.79872404760000 -5.40931781630000 3.52087862830000
0.07430058150000 0.02602817940000 -0.01567464700000 0.00426401310000 -0.00880777050000 0.06285450110000 0.01776342840000 -0.17370338290000 1.44025289600000 7.46096669600000 10.08028841890000 5.80571544820000 3.58945466690000 -2.35308822310000
0.11034394820000 0.55129595800000 -0.30203746860000 0.08069090890000 -0.10814939790000 0.15409439330000 -0.58909430750000 0.90521450270000 -5.69434416530000 -9.66261573960000 -7.80304478660000 -3.68510761220000 -2.22944203830000 1.50089346650000
0.09586835930000 0.48826056690000 -0.45683135220000 0.13172097240000 -0.22859425790000 1.08931848690000 -1.02256983420000 -0.38394573840000 9.39778129230000 7.77069584400000 4.90650897730000 2.15973346720000 1.31948646340000 -0.90518696600000
0.00868475450000 0.04327964060000 0.25440259620000 -0.08837284060000 0.20824512100000 -1.87512178310000 4.35997212580000 -1.92256347880000 -9.06518555620000 -4.80390646790000 -2.74901587750000 -1.19237412020000 -0.73686688120000 0.51032564710000
0.00108426820000 0.00434975800000 0.80540449680000 -0.31660449380000 0.56620958680000 -0.59352591640000 -5.35538904660000 3.99980362910000 6.42139304410000 2.56019145640000 1.42032217560000 0.61559724010000 0.38261001640000 -0.26607639500000
-0.00060363620000 -0.00385802350000 0.23689476540000 -0.31420170440000 0.13510151300000 2.95955285150000 3.31790659970000 -4.68574129460000 -3.80056363910000 -1.22849982850000 -0.67634269500000 -0.29311700290000 -0.18249013000000 0.12711728420000
0.00027340170000 0.00153795590000 -0.01122063070000 0.59837956640000 -1.87423555680000 -2.17640567570000 -0.59939136000000 4.30823436910000 1.97651295500000 0.53653554960000 0.29427547780000 0.12728323290000 0.07923559980000 -0.05522773460000
-0.00010442880000 -0.00059230640000 0.00567246590000 0.68435332890000 1.21935387790000 0.35687672240000 -1.01806793650000 -3.47151161100000 -0.94073026220000 -0.21440011010000 -0.11666843370000 -0.05017874390000 -0.03119556610000 0.02174920270000
0.00003224400000 0.00018151250000 -0.00145047060000 -0.00168462000000 0.31143512720000 0.39169180310000 0.96555240240000 1.83203784410000 0.33655083120000 0.06419808420000 0.03447491280000 0.01468598690000 0.00910855670000 -0.00635138460000
* p-type functions
12 10
4143.36885140
899.67030323
268.66611828
97.88294441
40.03837583
17.41139276
7.77943550
3.49384007
1.54935416
0.66369447
0.26540758
0.10613496
0.00036519880000 -0.00012257570000 0.00008730170000 -0.00015605210000 0.00024933910000 -0.00032372040000 0.00011792120000 -0.00224757630000 0.00639761520000 -0.02717258130000
0.00287832200000 -0.00096527780000 0.00068737450000 -0.00115033130000 0.00154936530000 -0.00180830690000 0.00809593330000 0.00448886190000 -0.08859971430000 0.12216890500000
0.01619499100000 -0.00549360560000 0.00392529600000 -0.00710128180000 0.01167019390000 -0.01546729260000 0.00176185760000 -0.12320147270000 0.35952513930000 -1.98524976270000
0.06348606060000 -0.02183217580000 0.01568228390000 -0.02630733270000 0.03569903720000 -0.04270746430000 0.21887352070000 0.11213101280000 -2.64694488580000 2.64639645470000
0.17959013840000 -0.06426490610000 0.04703792810000 -0.08890777980000 0.16160303010000 -0.23338716510000 -0.01009207470000 -2.38301946670000 4.20813929300000 -2.21500409900000
0.34727472060000 -0.12884808920000 0.09331789300000 -0.15048583090000 0.16750327810000 -0.13646956190000 1.85417562200000 4.63862165330000 -3.87777439900000 1.56910437530000
0.39983712590000 -0.16075978600000 0.11293988320000 -0.21550366910000 0.39667895950000 -0.57949878830000 -4.53832990370000 -4.58155137950000 2.71896134540000 -1.02552520520000
0.17584745270000 0.03005503050000 -0.05532757580000 0.27424264280000 -1.29508796960000 3.02726250660000 5.03332784480000 3.15784966200000 -1.64482691810000 0.62334351270000
0.01299520740000 0.41158319460000 -0.51467059880000 0.95500361150000 0.04328362650000 -4.54618033380000 -3.66737031440000 -1.76724203600000 0.89764853050000 -0.34589443390000
0.00183084360000 0.51910303540000 -0.06085231850000 -0.72477247350000 1.96627494770000 4.01367603770000 2.03275602960000 0.85830914900000 -0.43833823220000 0.17045121450000
-0.00057108500000 0.17185531030000 0.29677682610000 -0.95507343240000 -2.42142756170000 -2.48115244930000 -0.91406179900000 -0.36414239640000 0.18707523430000 -0.07290500550000
0.00019455880000 0.00218849430000 0.74918627140000 1.13502485390000 1.19645577520000 0.91754402070000 0.28464570910000 0.11114338520000 -0.05725320060000 0.02231205180000
* d-type functions
8 8
48.80958245
14.17544602
4.99125819
1.93232722
0.76520746
0.29278248
0.10274495
0.03605586
0.00476708570000 -0.00293305860000 0.00149106840000 -0.00769919140000 0.02635804040000 -0.04040071790000 0.01452481220000 -1.25589561630000
0.03017040260000 -0.01588998440000 0.02165294660000 -0.01356808090000 0.12818064790000 -0.36747238600000 -1.38629970330000 1.04365056560000
0.10811415190000 -0.06108087260000 0.05002714150000 -0.19716545810000 0.66265955030000 -0.83354631350000 1.89234891720000 -0.66827426860000
0.25284904290000 -0.37663937160000 -0.61929710380000 -0.61573747460000 0.01334571510000 1.75189525930000 -1.60862021720000 0.39268400000000
0.36115816850000 -0.34188050370000 0.04011209530000 0.76174351940000 -1.12297562400000 -1.86456804790000 1.05606398710000 -0.20793281690000
0.38169927340000 0.23920210570000 0.77508304410000 0.27691806830000 1.40315908700000 1.46556261470000 -0.56101448640000 0.09594429820000
0.21580455210000 0.56017942220000 -0.16881114670000 -1.11705355230000 -1.20651688650000 -0.83412734590000 0.24945288730000 -0.03957455940000
0.04190294950000 0.23721990920000 -0.68493279120000 0.95492455650000 0.67318208280000 0.29673289670000 -0.08269414240000 0.01327747010000
* f-type functions
5 5
4.84631592
2.93953634
1.58923579
0.78184382
0.29566203
0.03440810170000 -0.03657102310000 0.06721470830000 -1.07599467730000 2.92319314550000
0.08163446220000 0.32439417860000 -0.78582833760000 -0.23697785920000 -5.26725060670000
0.31765995100000 0.44225968990000 -0.31992524350000 1.86574703570000 4.21748586840000
0.40501582720000 0.11155067670000 1.40573480900000 -1.45095906520000 -2.01444180280000
0.41449285810000 -0.85207862290000 -0.85508060960000 0.49636294630000 0.54104359340000
* g-type functions
4 4
3.96600188
2.21644264
1.22179718
0.51384115
0.05860708320000 -0.13374666700000 0.32253583980000 -2.11425136970000
0.37135785090000 -0.40958800630000 1.17686694030000 3.19877473720000
0.45980088980000 -0.27268693420000 -1.86895190640000 -2.00730196940000
0.30331657820000 1.00846956560000 0.88045348510000 0.55362851640000
/Ti.ANO-R.Zobel.19s12p8d5f4g3h.14s10p8d5f4g3h.
J.P. Zobel, P.-O. Widmark, V. Veryazov. J. Chem. Theory Comput. 16 (2020) 278-294. doi:10.1021/acs.jctc.9b00873
TITANIUM (19s,12p,8d,5f,4g,3h) -> [14s,10p,8d,5f,4g,3h]
22.0 5
* s-type functions
19 14
3133560.87260000
433170.55908000
82549.50303100
20139.01962000
5920.79047440
1998.40234680
745.35830029
298.26007429
125.19066009
54.17545793
23.84412463
10.55036692
4.64049600
2.00353668
0.83597263
0.33033403
0.12037713
0.03908072
0.01268765
0.00009040300000 -0.00003662750000 0.00000986180000 -0.00000238790000 0.00000481340000 -0.00000823940000 0.00000985940000 -0.00001027980000 0.00002338890000 -0.00004374340000 0.00008848670000 -0.00012297430000 0.00130584240000 -0.01363300480000
0.00032333570000 -0.00013105650000 0.00003528840000 -0.00000854580000 0.00001724750000 -0.00002964410000 0.00003487790000 -0.00003542250000 0.00007984100000 -0.00017986140000 0.00020450810000 -0.00082049020000 -0.00368108100000 0.07114784300000
0.00118970200000 -0.00048291850000 0.00013015330000 -0.00003151050000 0.00006340370000 -0.00010786610000 0.00013210370000 -0.00014262180000 0.00032917100000 -0.00045957300000 0.00173612890000 -0.00042429330000 0.01789617290000 -0.17678335200000
0.00401917360000 -0.00163445570000 0.00044063040000 -0.00010674070000 0.00021607610000 -0.00037519730000 0.00042524510000 -0.00040484750000 0.00088442000000 -0.00290417810000 -0.00039119530000 -0.01658463630000 -0.04417417290000 0.54188814050000
0.01287842180000 -0.00527310210000 0.00142719150000 -0.00034542990000 0.00069215950000 -0.00115999380000 0.00149497820000 -0.00173347540000 0.00413086370000 -0.00219410860000 0.03277153210000 0.01668330240000 0.25658350650000 -1.35147965150000
0.03830724340000 -0.01588270620000 0.00431684510000 -0.00104644150000 0.00212952080000 -0.00376397070000 0.00400840040000 -0.00335990560000 0.00680484070000 -0.03969584740000 -0.04728842880000 -0.28423328870000 -0.76475043740000 4.32460134590000
0.10248327880000 -0.04406072820000 0.01218703220000 -0.00294974150000 0.00587654430000 -0.00963260610000 0.01334078950000 -0.01687997300000 0.04187925220000 0.01209690290000 0.47282546510000 0.21120345570000 4.10821208550000 -6.20999076540000
0.22739567810000 -0.10550482960000 0.03003673630000 -0.00729545380000 0.01496636930000 -0.02712902330000 0.02649729020000 -0.01757270870000 0.03021204650000 -0.40284127140000 -0.72341348720000 -3.17407685490000 -7.61330848930000 5.57642363220000
0.36048034170000 -0.20182719260000 0.06183978890000 -0.01500145360000 0.02956557960000 -0.04629490510000 0.07492967200000 -0.10941856150000 0.28945889300000 0.36024058510000 3.80953581950000 7.14540285740000 8.03867759150000 -4.07914716210000
0.28707674880000 -0.22634693580000 0.07663924610000 -0.01881163750000 0.04022304500000 -0.08244440880000 0.05363667390000 0.02471709820000 -0.15517903580000 -2.48575417800000 -8.56942749580000 -7.85620622540000 -6.28283194830000 2.79439671640000
0.07261001660000 0.03304733520000 -0.01581827240000 0.00407065640000 -0.01416967410000 0.06315378240000 0.03234847290000 -0.24004387700000 0.89639851940000 7.50782641520000 9.87224286330000 6.07977118720000 4.22157374450000 -1.86331361510000
0.05509135930000 0.56431150280000 -0.31484276670000 0.07990904290000 -0.14183375530000 0.10964827180000 -0.51423799770000 1.20400161260000 -5.03541482370000 -9.98481502390000 -7.78303410390000 -3.94881759340000 -2.63611954130000 1.19515666930000
0.04616898760000 0.49066649240000 -0.45903644360000 0.12596939540000 -0.35836457440000 1.16656039790000 -0.90961876670000 -0.53252701920000 8.91927329200000 8.33011251640000 4.98375888940000 2.33773282650000 1.56085470060000 -0.72352795030000
0.00422478490000 0.04300345360000 0.27769077050000 -0.09173494150000 0.40853859350000 -2.11226610880000 3.71012996360000 -2.38259619290000 -8.86967337490000 -5.35117652600000 -2.83172933530000 -1.29235366510000 -0.86834806710000 0.40730804500000
0.00088812220000 0.00696362080000 0.79324977190000 -0.29999211720000 0.78799764710000 -0.07761890310000 -4.25656770520000 4.79737900580000 6.42978588730000 2.94522550850000 1.47252267220000 0.66376762560000 0.44700750710000 -0.21075925530000
-0.00015260290000 -0.00316707660000 0.23216509100000 -0.27242152880000 -0.46935796910000 2.49572187480000 2.11636779280000 -5.24036453000000 -3.88846895470000 -1.44754271510000 -0.70096213430000 -0.31279933290000 -0.21032831880000 0.09936009920000
0.00011432380000 0.00148038440000 -0.00905125570000 0.49719066550000 -1.36153697270000 -2.03837348760000 0.40276233390000 4.33941386260000 2.04711990050000 0.64310186480000 0.30361206950000 0.13403542090000 0.08981205110000 -0.04245235210000
-0.00004247850000 -0.00056378010000 0.00631583310000 0.73893380040000 0.97672155520000 0.24125631960000 -1.71670955250000 -3.09200322600000 -0.96321034920000 -0.26169898380000 -0.12021528930000 -0.05237335350000 -0.03492017980000 0.01650697030000
0.00001345760000 0.00017441980000 -0.00123440970000 0.01138185190000 0.31620893110000 0.56985538670000 1.30046322410000 1.49011651940000 0.33240943590000 0.08045541910000 0.03589666030000 0.01540381670000 0.01021060500000 -0.00482599200000
* p-type functions
12 10
4804.17058400
1033.07347880
306.58317224
111.30821129
45.47326708
19.78633142
8.85803793
3.98951236
1.77432760
0.76153076
0.30435853
0.12164199
0.00035559090000 -0.00012133030000 0.00008508520000 -0.00014827140000 0.00023709940000 -0.00031497040000 0.00011906050000 -0.00238403000000 0.00663974730000 -0.02663897440000
0.00277459260000 -0.00094585720000 0.00066887910000 -0.00109158120000 0.00146053950000 -0.00147147380000 0.00853554730000 0.00570259490000 -0.08851605240000 0.11858692920000
0.01567657840000 -0.00540666960000 0.00379872760000 -0.00670165170000 0.01104934200000 -0.01517301670000 0.00224520810000 -0.13439869040000 0.39460343360000 -1.96729653480000
0.06192681920000 -0.02164974720000 0.01545319110000 -0.02522793090000 0.03387210670000 -0.03383185430000 0.23774933220000 0.14761436660000 -2.69120913680000 2.57442520570000
0.17685153220000 -0.06438825010000 0.04615562200000 -0.08471551790000 0.15439376600000 -0.23084644760000 -0.05551490750000 -2.44521888110000 4.22745643780000 -2.10992696490000
0.34574272770000 -0.13069097330000 0.09494740060000 -0.14952829240000 0.16732383850000 -0.09114256350000 1.95057082200000 4.69306027530000 -3.86316907580000 1.47629954870000
0.40155547380000 -0.16400335250000 0.11311739230000 -0.21703651900000 0.40893134210000 -0.74111422190000 -4.61929943190000 -4.61925067380000 2.67935068310000 -0.96759596350000
0.17843160460000 0.03126310370000 -0.05660525720000 0.26503128440000 -1.25777545080000 3.24956466530000 5.01403367670000 3.18694871090000 -1.60142300620000 0.59382831660000
0.01374521140000 0.41177983800000 -0.51443477680000 0.92410452830000 -0.07405867160000 -4.70749170120000 -3.57070009710000 -1.78587718270000 0.86431636370000 -0.33156844160000
0.00195007940000 0.51350826510000 -0.03012823550000 -0.61880289520000 2.08203444770000 4.05397948420000 1.93092237590000 0.86629234890000 -0.41775086840000 0.16334269410000
-0.00050430420000 0.17793656670000 0.22670864230000 -1.06711062980000 -2.44492194060000 -2.44542556780000 -0.84772102650000 -0.36697419250000 0.17682360280000 -0.06962340120000
0.00020012340000 0.00284270030000 0.79639961990000 1.16631978880000 1.16435865550000 0.88495103060000 0.25994693300000 0.11206847130000 -0.05396175990000 0.02128278290000
* d-type functions
8 8
59.23026074
17.29472675
6.14742472
2.40368621
0.96206156
0.37236138
0.13177716
0.04663539
0.00459050380000 -0.00363171640000 0.00176390170000 -0.01109661460000 0.02962448360000 -0.03762851840000 0.05142823730000 -1.26044612980000
0.03002490820000 -0.02325427360000 0.00972998730000 -0.05161056630000 0.16555617350000 -0.26137245640000 -1.45313723520000 1.02007263210000
0.10906588390000 -0.08390400950000 0.02604809550000 -0.27133681190000 0.75828784350000 -0.86046376520000 1.90847548310000 -0.63683209660000
0.25462287760000 -0.29522619030000 0.47450614600000 -0.66478534510000 -0.37956176240000 1.90793406980000 -1.55639600060000 0.36593127530000
0.36521882250000 -0.30600931530000 0.13372116120000 0.86694273370000 -0.77862954690000 -2.12660361790000 0.97796813230000 -0.19039134610000
0.38382430600000 0.14445130300000 -0.69495495860000 0.24949038950000 1.32485361100000 1.68939229380000 -0.50033729310000 0.08636094780000
0.21092700160000 0.56273191990000 -0.14407971490000 -1.00970018930000 -1.21809521070000 -1.02241868530000 0.21844277670000 -0.03491679740000
0.01059768880000 0.34354967170000 0.83413682940000 0.76132327550000 0.66813341490000 0.41889857830000 -0.07372482110000 0.01154468090000
* f-type functions
5 5
5.07060532
2.48157806
1.13205507
0.43973065
0.10137065
0.05288593490000 -0.05525057680000 0.06627595510000 -0.34295798080000 1.77855701560000
0.21220209320000 -0.35933350930000 0.87725018470000 -0.69110822370000 -2.36427492570000
0.43301687080000 -0.40458565680000 -0.53431716110000 1.53421568580000 1.51719786530000
0.46015795200000 0.47250489880000 -0.44879371240000 -1.16642042210000 -0.62320301320000
0.18090209530000 0.62492649280000 0.67440297550000 0.52137490220000 0.16810233460000
* g-type functions
4 4
3.52806937
1.84008344
0.83945045
0.23004466
0.17006411970000 -0.24155190040000 0.57125676490000 -1.59673416140000
0.45853113550000 -0.45802138930000 0.25481672690000 2.14231563540000
0.45498424860000 0.30032936040000 -0.99191111130000 -1.18639086820000
0.20198255200000 0.77481323500000 0.68238347560000 0.31413069160000
* h-type functions
3 3
3.04464434
1.38533192
0.32048054
0.38559536310000 -0.52706034210000 1.09291128320000
0.66415931920000 0.12640109420000 -1.10922487670000
0.19799043690000 0.87873468470000 0.49543345540000
/V.ANO-R.Zobel.20s12p8d5f4g3h.14s10p8d5f4g3h.
J.P. Zobel, P.-O. Widmark, V. Veryazov. J. Chem. Theory Comput. 16 (2020) 278-294. doi:10.1021/acs.jctc.9b00873
VANADIUM (20s,12p,8d,5f,4g,3h) -> [14s,10p,8d,5f,4g,3h]
23.0 5
* s-type functions
20 14
6131334.30070000
846052.84719000
159571.45629000
38383.61509900
11122.15699500
3706.84740460
1369.65841570
545.16635352
228.64889454
99.36696029
44.17245978
19.87899011
8.97343606
4.02460892
1.77360506
0.75720678
0.30742462
0.11583964
0.03925383
0.01330169
0.00006256810000 -0.00002223350000 0.00000685630000 -0.00000162360000 0.00000325260000 -0.00000567520000 0.00000617300000 -0.00000655290000 0.00001301520000 -0.00002333920000 0.00004098380000 -0.00009378450000 0.00006715010000 -0.02070278480000
0.00021737060000 -0.00007727510000 0.00002383690000 -0.00000564460000 0.00001131640000 -0.00001982470000 0.00002191750000 -0.00002361830000 0.00004579590000 -0.00007065550000 0.00017779800000 -0.00026607920000 -0.00121186380000 0.07737483330000
0.00076091110000 -0.00027078790000 0.00008351700000 -0.00001977730000 0.00003958160000 -0.00006867220000 0.00007290610000 -0.00007559760000 0.00015571330000 -0.00033733560000 0.00032670700000 -0.00158944570000 0.00254978720000 -0.27403458200000
0.00244741250000 -0.00087258960000 0.00026952760000 -0.00006382580000 0.00012818320000 -0.00022671610000 0.00026078690000 -0.00029108970000 0.00053488800000 -0.00050387780000 0.00298807680000 -0.00069750330000 -0.02266576790000 0.82537823420000
0.00756704000000 -0.00271010410000 0.00083676300000 -0.00019816310000 0.00039560640000 -0.00067656570000 0.00067134270000 -0.00064738740000 0.00148326810000 -0.00475183350000 -0.00106064390000 -0.02747526220000 0.05851713530000 -1.98507014760000
0.02221513880000 -0.00803264940000 0.00249366220000 -0.00059060900000 0.00118997020000 -0.00214124400000 0.00263909910000 -0.00311518590000 0.00526629250000 0.00040261410000 0.04483693810000 0.02805464760000 -0.34982433490000 3.80979552890000
0.06083406260000 -0.02252347470000 0.00701256970000 -0.00166127410000 0.00330501120000 -0.00553402530000 0.00491064670000 -0.00408693300000 0.01152938610000 -0.05697550100000 -0.05752771120000 -0.40984524880000 0.57554146050000 -7.10367038850000
0.14758243250000 -0.05760122330000 0.01829351760000 -0.00433643000000 0.00877651900000 -0.01614259560000 0.02161133830000 -0.02705521840000 0.04219085250000 0.04951920900000 0.51780251800000 0.34802462180000 -3.90189770190000 9.24785023030000
0.28829064230000 -0.12694953480000 0.04134199080000 -0.00981294020000 0.01942632160000 -0.03142502280000 0.02261749830000 -0.01227613130000 0.06212931120000 -0.50435408650000 -0.79655767320000 -3.35964152690000 8.18757935310000 -8.62624218240000
0.36909201300000 -0.21021342010000 0.07367553080000 -0.01754986260000 0.03602027810000 -0.07044094440000 0.11378014700000 -0.15803475600000 0.21368284180000 0.68890576180000 3.93298569910000 7.92738162080000 -9.27149859210000 6.60880561650000
0.20548673980000 -0.16448008910000 0.06120169080000 -0.01466816540000 0.02746755220000 -0.02813090990000 -0.05921203230000 0.15230863920000 -0.00671910710000 -2.83216339600000 -9.25632086990000 -9.04067628860000 7.56029313270000 -4.61270122940000
0.03452960440000 0.21180802890000 -0.09521501580000 0.02309418960000 -0.04057934520000 0.01791803860000 0.18771807570000 -0.40178895840000 -0.02105683360000 8.28111775960000 10.99257768270000 7.11569050900000 -5.19375847620000 3.07473171860000
0.03289007320000 0.63848524430000 -0.42608737830000 0.10881810570000 -0.23203783840000 0.49566725930000 -1.22476296160000 2.03013561720000 -3.38890186460000 -1.178894227660e1 -8.74577199830000 -4.64361635350000 3.27243122870000 -1.96707919100000
0.01407173530000 0.31759737480000 -0.31345713380000 0.08388385210000 -0.23225631450000 0.63392636480000 0.70156755020000 -2.74779383400000 8.14205061750000 10.69849782290000 5.60360322760000 2.75140078830000 -1.94722710830000 1.19385850900000
0.00123310340000 0.00814429630000 0.51816535900000 -0.16350936910000 0.62768144810000 -2.55165982300000 2.32422457820000 0.46218857530000 -9.76561127630000 -7.51148585790000 -3.19497407240000 -1.52448200830000 1.09067797680000 -0.67764142990000
0.00022129570000 0.00643731360000 0.68440854570000 -0.29853017210000 0.56910203520000 1.24086284210000 -4.24673406900000 2.77510019170000 8.22979941720000 4.51924700200000 1.68005170540000 0.78751919150000 -0.56725044290000 0.35508124780000
0.00010191340000 -0.00272504260000 0.12222350870000 -0.17869233220000 -0.70214138860000 1.63853688310000 3.03829460320000 -4.52015660410000 -5.61760542110000 -2.40948100140000 -0.81410714310000 -0.37457143920000 0.27041619380000 -0.16996279160000
-0.00002092040000 0.00124584180000 -0.00290130060000 0.56182664460000 -1.14049172540000 -1.98673967970000 -0.39015822920000 4.44981402710000 3.25037851200000 1.14724039480000 0.35959345030000 0.16215236960000 -0.11702007060000 0.07372085500000
0.00001049410000 -0.00045166150000 0.00304259820000 0.66239493900000 1.01490149740000 0.41113590330000 -1.42447813550000 -3.41974525130000 -1.63010936340000 -0.49263199970000 -0.14407577910000 -0.06353192720000 0.04576823730000 -0.02887864620000
-0.00000237880000 0.00014191200000 -0.00036985880000 0.00397619080000 0.27689161450000 0.49921393290000 1.26740250730000 1.65680436710000 0.57350952660000 0.15552651720000 0.04268288860000 0.01839587390000 -0.01322153570000 0.00835267900000
* p-type functions
12 10
5531.51762440
1178.14799150
347.42190562
125.68488569
51.28005955
22.32247632
10.00885433
4.51687703
2.01245232
0.86444708
0.34518575
0.13783747
0.00034769420000 -0.00012071420000 0.00008775510000 -0.00014390580000 0.00023157880000 -0.00030216270000 0.00004564080000 -0.00230544880000 0.00511269890000 -0.02686360370000
0.00268455960000 -0.00093138540000 0.00068208140000 -0.00104921110000 0.00141513140000 -0.00159008650000 0.00815977770000 0.00469562700000 -0.08169186820000 0.12673357870000
0.01521889730000 -0.00534123080000 0.00389052600000 -0.00646175410000 0.01073955610000 -0.01437928420000 -0.00277457390000 -0.13095698820000 0.28573127550000 -1.98180553510000
0.06052805890000 -0.02153793040000 0.01591735710000 -0.02447685150000 0.03305150890000 -0.03751169890000 0.22804640010000 0.12005721000000 -2.54432186180000 2.70416112150000
0.17431748510000 -0.06461666260000 0.04800925870000 -0.08280734610000 0.15176397210000 -0.21989187960000 -0.12474726390000 -2.42074067730000 4.12157210190000 -2.33166697710000
0.34422595150000 -0.13270427280000 0.09997665460000 -0.14884014710000 0.17047967030000 -0.14704074690000 2.10994613520000 4.61137844090000 -3.83322736290000 1.68691262420000
0.40320857530000 -0.16738789640000 0.12126692580000 -0.22069203030000 0.42296170990000 -0.63984101920000 -4.81082271960000 -4.46483594010000 2.70008252050000 -1.11551560350000
0.18092561450000 0.03205923070000 -0.06513288010000 0.27331792020000 -1.29303085120000 3.15201297520000 5.21039386940000 3.03267403430000 -1.63146856490000 0.68175425720000
0.01443218020000 0.41514854180000 -0.53816856780000 0.91018099670000 -0.02776969680000 -4.65110220380000 -3.74124343440000 -1.67931861590000 0.88403339850000 -0.37809951160000
0.00202493460000 0.51099219980000 -0.01686225850000 -0.63734982260000 2.04550328720000 4.03215926140000 2.04887458190000 0.80788683910000 -0.42666638180000 0.18515710470000
-0.00046092330000 0.17692663820000 0.26582450800000 -1.04108115970000 -2.42960571490000 -2.44190740090000 -0.91209699480000 -0.34074907860000 0.18007143080000 -0.07860787040000
0.00019914670000 0.00309387240000 0.75769172730000 1.18041816130000 1.16544064660000 0.88740260090000 0.28266262560000 0.10404074540000 -0.05491032020000 0.02401312580000
* d-type functions
8 8
68.84795658
20.15341727
7.20923035
2.83695006
1.14102132
0.44277848
0.15653612
0.05534044
0.00463878830000 -0.00392407540000 0.00330051950000 -0.01372640640000 0.03120553570000 -0.03438592600000 0.01670425310000 -1.26441346340000
0.03091253950000 -0.02601699190000 0.02190910670000 -0.07610919860000 0.17869807850000 -0.22827640300000 -1.43794497570000 1.07162740990000
0.11321124320000 -0.09529938670000 0.06849638950000 -0.34627383400000 0.81830145890000 -0.80585678270000 1.90887336660000 -0.70608371720000
0.26186984710000 -0.27965057780000 0.45693896940000 -0.59926263120000 -0.67491671370000 1.89937000210000 -1.55131740890000 0.42116378470000
0.37272616350000 -0.28517186940000 0.12062534090000 0.95768891060000 -0.45521783680000 -2.21769329160000 0.96606681210000 -0.22362745710000
0.37554183010000 0.15775822750000 -0.67349205540000 0.08892126740000 1.18785499370000 1.82523825270000 -0.49196591800000 0.10255214360000
0.20630974240000 0.54642232470000 -0.15913790690000 -0.88585548690000 -1.20053575530000 -1.15533254020000 0.21578843740000 -0.04160822490000
-0.01333305910000 0.36847409010000 0.83230194190000 0.69599346370000 0.67347836960000 0.49581805530000 -0.07369953410000 0.01372746900000
* f-type functions
5 5
5.13653893
3.12245649
1.57883582
0.70117813
0.24744122
0.07494236170000 -0.07942114930000 0.13067649460000 -0.55367578250000 2.84761154830000
0.12389830800000 -0.30934035280000 0.85398185070000 -0.65112879060000 -4.35996247350000
0.38586212070000 -0.43949824240000 -0.40157771950000 1.99982749760000 2.81887322390000
0.43042654460000 0.20214609320000 -0.78299441120000 -1.65528861470000 -1.23347678090000
0.27674039880000 0.72401644300000 0.76328859080000 0.70010903430000 0.36161313060000
* g-type functions
4 4
4.75785595
2.66821906
1.52166335
0.62621439
0.09568100350000 -0.25379649440000 0.42231764070000 -2.13717160120000
0.28936311810000 -0.54250823750000 0.94942737370000 3.48599539020000
0.46695898960000 -0.00568022740000 -1.82327866120000 -2.25987967230000
0.35940790740000 0.83465979050000 0.98476087650000 0.59459022350000
* h-type functions
3 3
3.19673686
1.43530922
0.35036108
0.45048692210000 -0.50920554890000 1.06402583560000
0.60699304020000 0.11839749550000 -1.13749590460000
0.19833397840000 0.88532960840000 0.49713996040000
/Cr.ANO-R.Zobel.20s12p9d5f4g.13s10p9d5f4g.
J.P. Zobel, P.-O. Widmark, V. Veryazov. J. Chem. Theory Comput. 16 (2020) 278-294. doi:10.1021/acs.jctc.9b00873
CHROMIUM (20s,12p,9d,5f,4g) -> [13s,10p,9d,5f,4g]
24.0 4
* s-type functions
20 13
7188854.72340000
980845.60172000
184438.18049000
44381.20847800
12868.68126500
4286.47655100
1580.36088370
626.94465300
262.04352651
113.61256436
50.49697701
22.78579581
10.34070859
4.66939874
2.06918931
0.88327490
0.35420570
0.12906959
0.04092978
0.01297941
0.00006400000000 -0.00001998510000 0.00000719130000 -0.00000159720000 0.00000233300000 -0.00000039640000 0.00000592150000 -0.00000783730000 0.00001270850000 -0.00002395480000 0.00004286110000 -0.00011109170000 0.00042761380000
0.00022250180000 -0.00006951460000 0.00002501910000 -0.00000555690000 0.00000809730000 -0.00000139910000 0.00002068240000 -0.00002782500000 0.00004642270000 -0.00007114620000 0.00018432070000 -0.00027491930000 0.00012591240000
0.00076552670000 -0.00023943950000 0.00008615790000 -0.00001913470000 0.00002805150000 -0.00000465050000 0.00007055280000 -0.00009111200000 0.00014108270000 -0.00034837720000 0.00034168870000 -0.00168018570000 0.00170835960000
0.00241677820000 -0.00075756890000 0.00027290730000 -0.00006062370000 0.00008777400000 -0.00001581900000 0.00022780460000 -0.00031931180000 0.00057048280000 -0.00043307960000 0.00298828420000 -0.00089338600000 0.00868725240000
0.00735684450000 -0.00231705050000 0.00083402960000 -0.00018521210000 0.00027411900000 -0.00004248270000 0.00067316030000 -0.00081017070000 0.00107230290000 -0.00495845650000 -0.00102422670000 -0.02706955040000 -0.01491954540000
0.02140270100000 -0.00681196480000 0.00246151820000 -0.00054702940000 0.00078232490000 -0.00015224690000 0.00209204860000 -0.00315291070000 0.00626921370000 0.00194958340000 0.04396978490000 0.02236520580000 0.23104565150000
0.05853607500000 -0.01909679940000 0.00690214490000 -0.00153302310000 0.00230048630000 -0.00032125250000 0.00545703240000 -0.00584822390000 0.00534399530000 -0.06045299660000 -0.05696670140000 -0.39373397770000 -0.49927370810000
0.14320061630000 -0.04941777540000 0.01808852640000 -0.00402524110000 0.00566541970000 -0.00121112460000 0.01574218180000 -0.02582299400000 0.05712330320000 0.06802997620000 0.50551021830000 0.24809300320000 3.90206634820000
0.28487859800000 -0.11145179060000 0.04128870540000 -0.00918914620000 0.01407796500000 -0.00165415070000 0.03168035540000 -0.02748049200000 0.00158780930000 -0.54799907840000 -0.77946180040000 -3.16429765160000 -8.26538852340000
0.37832662390000 -0.19304283190000 0.07503753370000 -0.01680769400000 0.02270416650000 -0.00604569400000 0.06985318900000 -0.13855194500000 0.36335379240000 0.85682227070000 3.98719507820000 7.67857525700000 9.47616551710000
0.22560749200000 -0.16525443020000 0.06695473720000 -0.01502594930000 0.02690798620000 0.00107710240000 0.03661595800000 0.06498813820000 -0.43204762220000 -3.34776968250000 -9.27666795870000 -8.82990490510000 -7.85519066710000
0.03093955240000 0.18511642170000 -0.08495389980000 0.01925617480000 -0.04001196800000 -0.00724157200000 -0.01887837180000 -0.24907054650000 1.13831252020000 8.96595434230000 10.80174763860000 6.99598979410000 5.48585185600000
0.00704749720000 0.62909463660000 -0.42181880560000 0.10209933590000 -0.12038151780000 0.05514907520000 -0.47558790740000 1.43802423000000 -5.34769250670000 -1.199634064200e1 -8.37440615840000 -4.58549463950000 -3.49457967450000
0.00157062680000 0.34271392220000 -0.34382824310000 0.08661726830000 -0.22534558410000 -0.03019838540000 -0.57901119560000 -0.40314930450000 9.94948143530000 10.14888589470000 5.18983199320000 2.70751630300000 2.07938057750000
0.00090311580000 0.01721817210000 0.48006906370000 -0.14339356990000 0.45476932640000 0.04067265650000 1.90262310400000 -3.78783632470000 -1.028978644250e1 -6.53733840830000 -2.83009577950000 -1.47389612040000 -1.14667518830000
0.00002944920000 0.01162188270000 0.70647949240000 -0.28688812300000 0.16488082540000 -0.31599035990000 0.20372962140000 6.50409391810000 7.33511487270000 3.54643597100000 1.40115260660000 0.73446878380000 0.57636899950000
0.00020410240000 -0.00137577580000 0.14327645210000 -0.17123634640000 0.54085687860000 0.70138809010000 -3.06370266990000 -5.54335612130000 -4.04937040840000 -1.66672795360000 -0.62878091610000 -0.33095592060000 -0.26082982880000
-0.00005869010000 0.00102413310000 -0.00455398090000 0.48653726880000 -2.52726013440000 -1.23071578610000 2.85371086520000 3.03621959970000 1.81160294690000 0.68522142740000 0.25467780140000 0.13435312510000 0.10607623670000
0.00002285190000 -0.00035546530000 0.00372476820000 0.74164346690000 2.23979084190000 2.18245160730000 -1.29709513420000 -1.21072986160000 -0.68371074310000 -0.25488916240000 -0.09497196810000 -0.05018916920000 -0.03965398640000
-0.00000644780000 0.00010905790000 -0.00053173790000 -0.02725934140000 -0.50679987880000 -1.93494184220000 0.26203753800000 0.32442403400000 0.19079836770000 0.07361396640000 0.02760084810000 0.01460332430000 0.01154076610000
* p-type functions
12 10
6166.60532630
1303.44322680
382.44130712
137.93375144
56.19570381
24.45409739
10.96500348
4.94400022
2.19424232
0.93320769
0.36512925
0.14286141
0.00035366790000 -0.00012461230000 0.00004630740000 -0.00015310190000 0.00021485290000 -0.00031966520000 0.00002540220000 -0.00242328430000 0.00555327160000 -0.02606701190000
0.00270470860000 -0.00095289900000 0.00037803820000 -0.00111822990000 0.00138270380000 -0.00128421850000 0.00848530370000 0.00541887320000 -0.08266336370000 0.11700852930000
0.01533555980000 -0.00546334180000 0.00201111640000 -0.00679734270000 0.00980491130000 -0.01545172960000 -0.00493693630000 -0.14049295420000 0.33397930750000 -1.95700393270000
0.06118226370000 -0.02212269430000 0.00890375510000 -0.02612944180000 0.03248968170000 -0.02855814870000 0.24015119600000 0.14521758310000 -2.60410893410000 2.60910307610000
0.17639072630000 -0.06644935930000 0.02435245960000 -0.08653632120000 0.13623467440000 -0.23797099340000 -0.15396195260000 -2.45248492610000 4.14778851920000 -2.18681696610000
0.34807751090000 -0.13677067580000 0.05779726060000 -0.16035484390000 0.17934968380000 -0.06101649730000 2.16512760950000 4.60941091120000 -3.81668786690000 1.54583679390000
0.40273695170000 -0.16919437850000 0.05395047830000 -0.23298553820000 0.37087989100000 -0.84808662760000 -4.80121168240000 -4.40844823300000 2.65429940230000 -1.00738307820000
0.17500637280000 0.04464128020000 -0.00596470590000 0.27548184710000 -1.09036398640000 3.37189344370000 5.03456207600000 2.94159411650000 -1.57649113120000 0.60834219450000
0.01323247200000 0.43314182220000 -0.30716769390000 0.90221950010000 -0.34274144090000 -4.66163334450000 -3.45920653910000 -1.58568506500000 0.83540786370000 -0.33192886270000
0.00199870150000 0.50509862120000 0.02193691090000 -0.39423457390000 2.24125475830000 3.80348809640000 1.79660057420000 0.73704905710000 -0.39288202030000 0.15906887250000
-0.00039696440000 0.15926058610000 -0.27764568740000 -1.23782369930000 -2.38116783800000 -2.16544768490000 -0.76126701430000 -0.30204467220000 0.16261199740000 -0.06639360060000
0.00018426420000 0.00071923060000 1.17405624470000 0.93851559590000 1.02861550110000 0.74669561920000 0.23110589130000 0.09182794610000 -0.04968553340000 0.02034295980000
* d-type functions
9 9
101.64299744
30.00178906
10.95950530
4.45097897
1.86713518
0.76899288
0.29919097
0.10595824
0.03752502
0.00273820190000 -0.00102507200000 0.00246124220000 -0.00246314110000 0.01108137560000 -0.02143230230000 0.04226755680000 -0.04749763140000 1.27534972620000
0.02011490760000 -0.00807999630000 0.01853798830000 -0.02579160660000 0.08458991020000 -0.09847522430000 0.07377100320000 -1.45273068820000 -1.19192489790000
0.07804398360000 -0.02894693880000 0.06964912430000 -0.06101175680000 0.33421314840000 -0.68538054050000 1.28077732640000 1.87229360430000 0.87956581420000
0.19946582890000 -0.08608192100000 0.20552113880000 -0.37209631720000 0.67795024700000 0.18501269180000 -2.46798179940000 -1.46444042750000 -0.57463209450000
0.32775000910000 -0.12455475640000 0.31946629490000 -0.32893433270000 -0.77898979290000 1.20147708950000 2.57721139950000 0.89023269850000 0.33049790470000
0.36191943000000 -0.12341580480000 0.00338909220000 0.52950131680000 -0.47786400520000 -1.92811161630000 -1.91780243030000 -0.45827122140000 -0.16658178520000
0.29420331420000 0.11856464500000 -0.37762200830000 0.64314366970000 1.12795166780000 1.64326612180000 1.09278584760000 0.20681410100000 0.07437950460000
0.04517736570000 -0.03661995470000 -0.78729624700000 -1.24188466080000 -0.84962507610000 -0.94377820510000 -0.49924026540000 -0.08426429730000 -0.03035862200000
0.10916965770000 0.97044568180000 0.71038787040000 0.57784321750000 0.31353850710000 0.33176421020000 0.16537932180000 0.02769617720000 0.01005779990000
* f-type functions
5 5
5.45895246
3.15525600
1.52541451
0.63021672
0.22147556
0.09380644750000 -0.12662816460000 0.27811876020000 -0.63719090890000 2.39297643270000
0.16045863480000 -0.35994174330000 0.71134091100000 -0.25184027470000 -3.63846396880000
0.44170579630000 -0.35707507020000 -0.61439717390000 1.52489136680000 2.37597819720000
0.40918907460000 0.37506639030000 -0.51979490310000 -1.50744010400000 -1.07710729830000
0.19476266410000 0.60997481840000 0.76198257900000 0.77988079010000 0.35485762460000
* g-type functions
4 4
4.49957112
2.33353684
1.03245654
0.36913268
0.17120657930000 -0.28489962560000 0.73467262660000 -1.50714678590000
0.45682155770000 -0.39609882700000 0.02833489770000 2.15143019720000
0.44886377710000 0.18212945440000 -0.96923900700000 -1.38576320810000
0.18669792660000 0.79265398570000 0.76325939350000 0.51040632770000
/Mn.ANO-R.Zobel.20s12p9d5f4g3h.13s10p9d5f4g3h.
J.P. Zobel, P.-O. Widmark, V. Veryazov. J. Chem. Theory Comput. 16 (2020) 278-294. doi:10.1021/acs.jctc.9b00873
MANGANESE (20s,12p,9d,5f,4g,3h) -> [13s,10p,9d,5f,4g,3h]
25.0 5
* s-type functions
20 13
7856301.29860000
1078783.36110000
202130.08165000
48256.64673200
13874.88188400
4590.10109470
1684.84488570
666.96960246
278.58316768
120.73187984
53.58397803
24.09483220
10.86958039
4.86866042
2.13893139
0.90745199
0.36432978
0.13482240
0.04445450
0.01465782
0.00006768960000 -0.00002044060000 0.00000745080000 -0.00000179950000 0.00000190360000 -0.00000230820000 0.00000650460000 -0.00000971010000 0.00001158130000 -0.00002629840000 0.00004193630000 -0.00010329980000 0.00006605100000
0.00023334060000 -0.00007049780000 0.00002570250000 -0.00000620770000 0.00000657030000 -0.00000796460000 0.00002252330000 -0.00003443910000 0.00004135790000 -0.00008120130000 0.00017792340000 -0.00015981740000 0.00143647310000
0.00079990690000 -0.00024199080000 0.00008820320000 -0.00002130160000 0.00002251840000 -0.00002731400000 0.00007659480000 -0.00011025170000 0.00013001490000 -0.00035882760000 0.00033576290000 -0.00185153170000 -0.00366317740000
0.00251888010000 -0.00076368010000 0.00027865300000 -0.00006730870000 0.00007133470000 -0.00008641960000 0.00024648730000 -0.00040039870000 0.00048976570000 -0.00061371710000 0.00284722270000 0.00129990580000 0.02399374920000
0.00765617080000 -0.00233393620000 0.00085075540000 -0.00020544680000 0.00021675400000 -0.00026315740000 0.00072840560000 -0.00093830500000 0.00106213350000 -0.00471484280000 -0.00089863510000 -0.03195141850000 -0.05529240070000
0.02222813740000 -0.00684879410000 0.00250555170000 -0.00060543460000 0.00064335730000 -0.00077849420000 0.00225643860000 -0.00408477140000 0.00515813430000 -0.00084747420000 0.04193142150000 0.05795946130000 0.35663196270000
0.06057652660000 -0.01917851640000 0.00701041130000 -0.00169314660000 0.00178114140000 -0.00216538050000 0.00587748460000 -0.00617624390000 0.00636088930000 -0.05478321150000 -0.05603945350000 -0.45425172870000 -0.96984096580000
0.14738253500000 -0.04947696560000 0.01828877060000 -0.00442434130000 0.00471953170000 -0.00570193890000 0.01687598690000 -0.03467685000000 0.04539213450000 0.03727312850000 0.48097143140000 0.73186800750000 4.67958787760000
0.29086324220000 -0.11166330390000 0.04160490490000 -0.01006498410000 0.01054650840000 -0.01284593570000 0.03380381200000 -0.02284708880000 0.01717172180000 -0.47985997070000 -0.76459549100000 -4.15951365760000 -8.58632560570000
0.38083377100000 -0.19246272770000 0.07486656390000 -0.01821147610000 0.01964077550000 -0.02365037840000 0.07401528940000 -0.19805629090000 0.27713107180000 0.58599880920000 3.95203918210000 8.73444281560000 8.99036833050000
0.22046348250000 -0.15975320100000 0.06433913750000 -0.01566516060000 0.01577465760000 -0.01948695110000 0.03559108180000 0.16509932390000 -0.27827472340000 -2.69149617210000 -9.29245792370000 -9.58385584490000 -7.03362759040000
0.02507612010000 0.21462056330000 -0.09783533830000 0.02406458240000 -0.02331670830000 0.02847628550000 -0.02507600350000 -0.49296595080000 0.71358956530000 8.08787816010000 11.03249984560000 7.43076808580000 4.76705852400000
-0.00113720130000 0.64919749710000 -0.44294567440000 0.11536372730000 -0.13063059360000 0.15503645990000 -0.54809720650000 2.52206956370000 -4.31122315320000 -1.124542490470e1 -8.76211729420000 -4.82630776810000 -2.99822505970000
-0.00270515730000 0.31432942820000 -0.29938098620000 0.08089786500000 -0.08650127810000 0.14106247020000 -0.57897039470000 -2.84616817580000 8.91824641160000 9.72688282710000 5.56418793990000 2.84973573000000 1.77978361840000
0.00072620620000 0.00446504870000 0.55550412030000 -0.17747167660000 0.23324396950000 -0.40201584630000 2.55992489190000 -0.78539454540000 -1.033427348490e1 -6.44508710440000 -3.11371373120000 -1.56610121160000 -0.98902073970000
-0.00019529740000 0.00232853110000 0.66625939140000 -0.30512770610000 0.40058567790000 -0.35593465220000 -1.14168161390000 4.45101037470000 8.49608466990000 3.66072067920000 1.59340582130000 0.79742718360000 0.50734166940000
0.00021312980000 -0.00311758460000 0.10502085140000 -0.15598697680000 -0.20286954050000 0.25001671540000 -2.08235088700000 -4.99714457800000 -5.51327545010000 -1.83661416450000 -0.74701976660000 -0.37213524380000 -0.23759148230000
-0.00007950410000 0.00123586340000 -0.00180738750000 0.61766571350000 -0.99181422750000 1.68459681010000 2.91066809180000 3.35416904640000 2.90129113160000 0.81466232320000 0.31834879160000 0.15792707360000 0.10096077660000
0.00003061260000 -0.00033266510000 0.00169613250000 0.66685585120000 0.30508118760000 -2.80119642460000 -1.87865861930000 -1.61856726900000 -1.25862687260000 -0.32219658340000 -0.12344570000000 -0.06108822600000 -0.03906945160000
-0.00000894430000 0.00012495450000 -0.00021346300000 -0.08364697440000 0.89642441080000 1.74210995120000 0.64259080700000 0.49798104930000 0.37581537260000 0.09417172800000 0.03588876740000 0.01775174830000 0.01135544510000
* p-type functions
12 10
7164.70271740
1498.96365750
436.72775798
156.89134796
63.82705933
27.78615688
12.48144171
5.64607630
2.51993546
1.08251373
0.43120965
0.17176850
0.00033831050000 -0.00012066450000 0.00011404210000 -0.00013198470000 0.00022048490000 -0.00028835680000 0.00006912660000 -0.00216173110000 0.00340580910000 -0.02872946710000
0.00255304210000 -0.00091035570000 0.00085707790000 -0.00092490910000 0.00131575110000 -0.00131877290000 0.00716966720000 0.00385578540000 -0.07406332640000 0.15201836640000
0.01452031570000 -0.00523607240000 0.00496982420000 -0.00584443600000 0.01008784510000 -0.01372666470000 -0.00297733240000 -0.12315795900000 0.16474681940000 -2.00142909110000
0.05838823180000 -0.02135731050000 0.02027760970000 -0.02186094630000 0.03099142650000 -0.03039989180000 0.20152404860000 0.10277316270000 -2.37084890960000 2.83414633280000
0.17050016820000 -0.06499226050000 0.06323186720000 -0.07756429810000 0.14563583760000 -0.21507512030000 -0.11851762570000 -2.41288887620000 3.96667514610000 -2.56937821340000
0.34230548560000 -0.13612007560000 0.13144963340000 -0.13713391560000 0.16998236400000 -0.11203741700000 2.17461232020000 4.57734317650000 -3.76195921590000 1.92853791140000
0.40588224790000 -0.17269503460000 0.16956725120000 -0.22105860000000 0.44235347800000 -0.72673157940000 -4.88241772730000 -4.40077488190000 2.70605659870000 -1.29541107580000
0.18423964550000 0.03457844270000 -0.11852939880000 0.33615641040000 -1.38468390260000 3.23390379460000 5.21338516370000 2.96804653060000 -1.66200533450000 0.79236147970000
0.01535004100000 0.42177567840000 -0.72297419450000 0.81270989950000 0.19184807290000 -4.72247149390000 -3.68525188610000 -1.62879157070000 0.90624447020000 -0.43687422250000
0.00211310820000 0.50649246820000 0.08468667040000 -0.88051127030000 1.83686959620000 4.10983414770000 1.98568915710000 0.77387966260000 -0.43644903940000 0.21230402100000
-0.00041014230000 0.17367853240000 0.57568646010000 -0.66121038530000 -2.40881700310000 -2.52875530760000 -0.87164284620000 -0.32249578120000 0.18337256820000 -0.08961163640000
0.00019881660000 0.00372040050000 0.41523252240000 1.19172324580000 1.26637609000000 0.94604593260000 0.26848344050000 0.09797330860000 -0.05585281610000 0.02735094020000
* d-type functions
9 9
133.43220037
39.47680893
14.63557050
6.04639459
2.59828599
1.11314642
0.45770750
0.17086319
0.06378359
0.00204641310000 -0.00110476170000 0.00200878250000 -0.00301526320000 0.01014546160000 -0.01395875260000 0.04144912100000 -0.06903245090000 1.28051241400000
0.01589688600000 -0.00906075010000 0.01619415710000 -0.03282947930000 0.08145918990000 -0.05945880650000 0.00014282710000 -1.46938691450000 -1.24778083450000
0.06358611540000 -0.03441508770000 0.06195262970000 -0.09275013170000 0.34685290430000 -0.49041282640000 1.54344093480000 1.86598946750000 0.97053017040000
0.17220070100000 -0.10307307600000 0.19058530350000 -0.40425416800000 0.72445006750000 -0.17538636580000 -2.73138750220000 -1.45341729110000 -0.66664615490000
0.30125783070000 -0.16698638210000 0.36221538510000 -0.36159060850000 -0.99518736230000 1.66607451930000 2.68665135260000 0.90469785640000 0.40764624080000
0.35476551030000 -0.14164904670000 0.04247770680000 0.70239682170000 -0.25385122360000 -2.50349485130000 -1.90759852860000 -0.48959422090000 -0.22058241470000
0.30617648440000 0.14550817240000 -0.35722193040000 0.49663353030000 1.14107953490000 2.17867879160000 1.04993353100000 0.23175398730000 0.10398469020000
0.16585069120000 0.18216249170000 -0.75871536770000 -1.19299670800000 -1.00949567860000 -1.29307092010000 -0.47070453000000 -0.09679468810000 -0.04328864180000
-0.02937696100000 0.78326673680000 0.90928646930000 0.63519280710000 0.42166734680000 0.47435941110000 0.15669943570000 0.03188757640000 0.01427756730000
* f-type functions
5 5
5.61052882
3.02793624
1.40675209
0.57575109
0.21318610
0.11830442260000 -0.19296716470000 0.49515221050000 -0.80173628180000 1.91861773650000
0.22136999030000 -0.43202663720000 0.48952741950000 0.37273238920000 -3.07865084210000
0.46651094270000 -0.20541685860000 -0.88185864110000 0.92026140040000 2.31474218080000
0.35059820770000 0.49922725000000 -0.11613798690000 -1.42964765370000 -1.25951944110000
0.14444595720000 0.47320018780000 0.66218324150000 0.95603695370000 0.48925625750000
* g-type functions
4 4
4.26836475
2.13628096
0.88622782
0.30509583
0.26927094940000 -0.53011532540000 0.79416639480000 -1.25622286910000
0.49607304450000 -0.22644619960000 -0.44925793390000 1.87914085640000
0.39058312960000 0.52305725970000 -0.56666398290000 -1.34961622640000
0.10145073600000 0.51166220730000 0.87926729960000 0.60913190450000
* h-type functions
3 3
3.94588283
1.81515646
0.61053940
0.47001906120000 -0.68493188800000 1.01183477200000
0.54400695320000 0.20070900930000 -1.29887140580000
0.22549853610000 0.78996095250000 0.76108013760000
/Fe.ANO-R.Zobel.20s12p9d5f4g3h.14s10p9d5f4g3h.
J.P. Zobel, P.-O. Widmark, V. Veryazov. J. Chem. Theory Comput. 16 (2020) 278-294. doi:10.1021/acs.jctc.9b00873
IRON (20s,12p,9d,5f,4g,3h) -> [14s,10p,9d,5f,4g,3h]
26.0 5
* s-type functions
20 14
8687133.23130000
1196444.02820000
224240.11528000
53455.37737300
15331.41282500
5057.50474780
1851.36196900
731.24610298
304.95778215
132.05924105
58.60759483
26.36596201
11.90212643
5.33350148
2.34230814
0.99190344
0.39659098
0.14568517
0.04748168
0.01547522
0.00006988790000 -0.00002344050000 0.00000820520000 -0.00000187500000 0.00000290380000 -0.00000666330000 0.00000880910000 -0.00000659760000 0.00001129040000 -0.00002628140000 0.00003980550000 -0.00011254470000 0.00028965320000 -0.00900118550000
0.00023901830000 -0.00008020390000 0.00002808120000 -0.00000641720000 0.00000994280000 -0.00002287290000 0.00003083080000 -0.00002336260000 0.00003997220000 -0.00007899070000 0.00017769670000 -0.00015811380000 -0.00218009030000 0.02725171340000
0.00081058670000 -0.00027233940000 0.00009534440000 -0.00002178800000 0.00003371890000 -0.00007710230000 0.00009900960000 -0.00007278570000 0.00012456870000 -0.00035915080000 0.00026467550000 -0.00188261070000 0.00578853340000 -0.08721767670000
0.00252473650000 -0.00084997980000 0.00029791550000 -0.00006808970000 0.00010563240000 -0.00024452270000 0.00034638520000 -0.00027041180000 0.00046288850000 -0.00053609620000 0.00300219970000 0.00161021970000 -0.03491030330000 0.28721180710000
0.00760634310000 -0.00257395820000 0.00090188440000 -0.00020609690000 0.00031834290000 -0.00072099750000 0.00084707190000 -0.00058353960000 0.00099768330000 -0.00481451870000 -0.00255027660000 -0.03378838590000 0.09217020180000 -0.23336397600000
0.02194742320000 -0.00749952850000 0.00263884770000 -0.00060337520000 0.00093851980000 -0.00219890400000 0.00341615940000 -0.00280680220000 0.00481399520000 0.00057372520000 0.04616370720000 0.06557558920000 -0.41851738860000 0.69198491790000
0.05959051690000 -0.02087920560000 0.00736036930000 -0.00168260040000 0.00259155640000 -0.00578465680000 0.00579213110000 -0.00344100960000 0.00586713100000 -0.05730487560000 -0.08157025640000 -0.48392982620000 0.92258736870000 -4.04739810880000
0.14483190580000 -0.05354384320000 0.01916563200000 -0.00438925370000 0.00685363490000 -0.01631758770000 0.02832986960000 -0.02459560420000 0.04235350130000 0.05473652160000 0.53529807560000 0.84602198090000 -4.50452554050000 6.80756907150000
0.28596679210000 -0.11976121560000 0.04366340430000 -0.01000914410000 0.01535629520000 -0.03350841380000 0.02436999880000 -0.00877799140000 0.01508843050000 -0.51300367350000 -1.01219640540000 -4.35666689790000 8.28678329000000 -6.55346758610000
0.37502025890000 -0.20335948080000 0.07859387090000 -0.01813761600000 0.02864317960000 -0.07122637790000 0.15665106300000 -0.14972185820000 0.26057042310000 0.73110745160000 4.45518750900000 8.74826514410000 -8.59561941790000 4.89818729100000
0.21799269280000 -0.16765849160000 0.06833802750000 -0.01583775420000 0.02332435100000 -0.03927865310000 -0.10707489180000 0.15612971530000 -0.26778695110000 -3.02323045850000 -9.76180617430000 -9.24512121200000 6.65285132340000 -3.34089986010000
0.03226531610000 0.21230078470000 -0.10256810420000 0.02417239940000 -0.03377506400000 0.03495681540000 0.35570003480000 -0.43430743930000 0.70573615290000 8.47721612870000 11.19275737040000 6.93954953630000 -4.47648955880000 2.20585626290000
0.01809372130000 0.64486827900000 -0.45992195640000 0.11547407230000 -0.19186632350000 0.53656998010000 -1.91226126340000 2.22183207400000 -4.11274470330000 -1.152281750420e1 -8.66427093570000 -4.41467708350000 2.80466843770000 -1.40426810090000
0.00658254900000 0.30890642030000 -0.30051543050000 0.07819814200000 -0.13934976110000 0.47601040650000 1.65371611180000 -3.79305946990000 8.44358355260000 9.83596510080000 5.39523882960000 2.57989705070000 -1.65965177260000 0.84473990240000
0.00098035420000 0.01230045800000 0.57011421590000 -0.17829110900000 0.41484166030000 -2.23292127080000 1.96173210030000 2.91785999600000 -9.79654122030000 -6.43346886010000 -2.97107430750000 -1.40850247720000 0.91788936250000 -0.47180493120000
0.00003107760000 0.01127573200000 0.66138296920000 -0.30025053080000 0.48320330040000 0.76047265540000 -4.82450399940000 -0.48258991170000 8.20126045290000 3.60511039540000 1.49624925230000 0.71170773940000 -0.46750632060000 0.24151715460000
0.00013717310000 -0.00165448190000 0.09475368700000 -0.14478983410000 -0.33047415530000 2.07423146550000 4.29245119780000 -1.67371162180000 -5.65532674810000 -1.78647639450000 -0.69024221260000 -0.32899306680000 0.21698601740000 -0.11237211420000
-0.00004127950000 0.00114127130000 0.00008591610000 0.62495834690000 -1.47439562400000 -2.19036004410000 -1.90968491870000 2.79435828700000 3.46230785080000 0.78533421770000 0.28995233000000 0.13827531840000 -0.09136586340000 0.04736932940000
0.00001985480000 -0.00030953680000 0.00323947050000 0.59398042570000 1.25747286620000 0.63597799000000 -0.03148908260000 -2.98269405880000 -2.03169909210000 -0.31043487660000 -0.11133937240000 -0.05315959710000 0.03515267100000 -0.01823391240000
-0.00000499900000 0.00011630680000 -0.00015587710000 0.00051780120000 0.19713936430000 0.27257757800000 0.52907526670000 1.81793270890000 0.89811481180000 0.09188225160000 0.03231175710000 0.01547231790000 -0.01023472690000 0.00530989820000
* p-type functions
12 10
8113.80471530
1680.70733040
486.69379419
174.22328164
70.75288332
30.78600785
13.83479564
6.26424651
2.79838948
1.20206901
0.47765705
0.18980296
0.00033408670000 -0.00012115370000 0.00009082820000 -0.00013660230000 0.00021275560000 -0.00028892720000 0.00008035670000 -0.00219812670000 0.00443640920000 -0.02585948930000
0.00249382640000 -0.00090440450000 0.00068169850000 -0.00096629010000 0.00128645780000 -0.00128442950000 0.00697485270000 0.00524995610000 -0.07943338660000 0.13452872220000
0.01418787780000 -0.00520210800000 0.00390794500000 -0.00596228250000 0.00961922580000 -0.01371341050000 -0.00312362960000 -0.12561361310000 0.24995593050000 -1.96879941020000
0.05733355130000 -0.02133017960000 0.01621666890000 -0.02293843510000 0.03039794150000 -0.02937003210000 0.19694245010000 0.15318547610000 -2.48609183540000 2.69150372400000
0.16859306500000 -0.06536156330000 0.05004443840000 -0.07898370230000 0.13887489590000 -0.21581172760000 -0.10623089350000 -2.49926577760000 4.01194578290000 -2.36260979190000
0.34127467740000 -0.13823904410000 0.10739206540000 -0.14811353030000 0.17520167540000 -0.11128720500000 2.17091573030000 4.66112500560000 -3.74253541630000 1.74366148750000
0.40716118680000 -0.17595034350000 0.13485136640000 -0.22925845160000 0.43668097920000 -0.77562999000000 -4.87799369970000 -4.47368267070000 2.67578413070000 -1.16562594660000
0.18608524150000 0.03528940170000 -0.08053591320000 0.29164875410000 -1.29120331440000 3.32656668150000 5.19081339030000 3.02598739020000 -1.64290237030000 0.71265480060000
0.01592543710000 0.42761176590000 -0.57216969320000 0.88465462390000 -0.03510178890000 -4.76101198370000 -3.64914874580000 -1.66464003240000 0.89580721500000 -0.39246102720000
0.00218116450000 0.50739365360000 0.01340882560000 -0.67995348950000 2.04710832390000 4.04492705110000 1.95246942190000 0.78974629230000 -0.43025125460000 0.19004051390000
-0.00037552150000 0.16632724290000 0.32984237000000 -0.97746842270000 -2.43911845810000 -2.41716764490000 -0.85129133780000 -0.32787334170000 0.18010967550000 -0.07990189100000
0.00018751790000 0.00235905890000 0.69217965870000 1.19067826110000 1.18227860050000 0.87690135600000 0.26150555660000 0.09952004470000 -0.05484963850000 0.02438347110000
* d-type functions
9 9
146.19036876
43.25654632
16.04702095
6.63454728
2.84770999
1.21346326
0.49365932
0.18164444
0.06683699
0.00220472130000 -0.00230982350000 0.00290614910000 -0.00764995260000 0.01181366040000 -0.01316359500000 0.04218018060000 -0.04597852290000 1.28165216260000
0.01714054100000 -0.01883610490000 0.02872600790000 -0.06837023950000 0.06448232620000 -0.04432271080000 0.05766806760000 -1.48927644340000 -1.22387459750000
0.06900690910000 -0.07247451460000 0.09072713830000 -0.25851166480000 0.41103748910000 -0.45804076980000 1.43466767890000 1.94334922490000 0.94008706220000
0.18489235410000 -0.21836699850000 0.35054398210000 -0.66856565110000 0.32104268740000 0.08284950480000 -2.66210725500000 -1.56824899430000 -0.64075697500000
0.31713393430000 -0.36057558120000 0.35685182030000 0.61612606590000 -1.29264232200000 1.09053902520000 2.69550479100000 1.00465741270000 0.38776434670000
0.36202694790000 -0.09098310430000 -0.59903485270000 0.57797906520000 1.11447915570000 -2.02210011270000 -1.96785961100000 -0.55269052780000 -0.20673019120000
0.29352317830000 0.42880796150000 -0.42757181780000 -0.86995534840000 -0.07418722600000 2.16621352030000 1.12116808840000 0.26377462790000 0.09605633910000
0.11579224690000 0.49861116970000 0.57745231530000 0.09127440010000 -0.87681772820000 -1.74553084420000 -0.52431230750000 -0.11085275670000 -0.03967058820000
0.00107085020000 0.10159321940000 0.33264402050000 0.50543690000000 0.94377460850000 0.94893942040000 0.17966674630000 0.03669059480000 0.01310098890000
* f-type functions
5 5
6.33785274
3.43003493
1.60535269
0.66286853
0.24576115
0.11980705150000 -0.20444606150000 0.48074521370000 -0.80714382410000 1.94145262850000
0.21821070030000 -0.42123609160000 0.47174016670000 0.31623542600000 -3.14482231320000
0.46363013800000 -0.21427655520000 -0.81952922940000 1.00316309990000 2.36868196200000
0.35449378650000 0.50940234400000 -0.19167463780000 -1.45031274030000 -1.26516466090000
0.14124160090000 0.46593047590000 0.71527655040000 0.93367532820000 0.47792776720000
* g-type functions
4 4
4.80898541
2.43712707
1.02895152
0.35621520
0.24630983990000 -0.57632954820000 0.80143341010000 -1.27815035180000
0.46963121440000 -0.22166772880000 -0.47023434270000 1.94757956130000
0.42123093640000 0.49162009090000 -0.56057369510000 -1.39712566670000
0.13077772010000 0.50202312060000 0.88598211170000 0.61453466330000
* h-type functions
3 3
4.46093554
2.07647163
0.73717010
0.42274013820000 -0.75760149710000 1.00660113450000
0.54995855420000 0.20430113670000 -1.34573814510000
0.27246806760000 0.74541550850000 0.82790657560000
/Co.ANO-R.Zobel.20s12p9d5f4g3h.14s10p9d5f4g3h.
J.P. Zobel, P.-O. Widmark, V. Veryazov. J. Chem. Theory Comput. 16 (2020) 278-294. doi:10.1021/acs.jctc.9b00873
COBALT (20s,12p,9d,5f,4g,3h) -> [14s,10p,9d,5f,4g,3h]
27.0 5
* s-type functions
20 14
9616751.79660000
1325187.88740000
248036.88489000
58985.20462400
16869.09563900
5549.15369400
2026.45812710
798.97705794
332.84472433
144.07695642
63.94880928
28.78023754
12.99612874
5.82256236
2.55388729
1.07835791
0.42890133
0.15624773
0.05030648
0.01619698
0.00007324020000 -0.00002242370000 0.00000796120000 -0.00000187450000 0.00000050250000 -0.00000342840000 0.00000689930000 -0.00000860980000 0.00001277070000 -0.00002796460000 0.00003872150000 -0.00000663950000 0.00018473650000 -0.00668680040000
0.00024952240000 -0.00007643440000 0.00002714180000 -0.00000639100000 0.00000172030000 -0.00001168680000 0.00002361280000 -0.00002997710000 0.00004551700000 -0.00008514050000 0.00017715270000 0.00017878210000 -0.00192059700000 0.02410593170000
0.00083818030000 -0.00025711680000 0.00009128440000 -0.00002149320000 0.00000572850000 -0.00003932010000 0.00007867700000 -0.00009569500000 0.00013674620000 -0.00037031030000 0.00023049770000 0.00159527630000 0.00441587190000 -0.08578630870000
0.00258497380000 -0.00079476320000 0.00028243970000 -0.00006651220000 0.00001809180000 -0.00012157450000 0.00024818750000 -0.00032937500000 0.00052999290000 -0.00060579000000 0.00304541580000 -0.00197922070000 -0.02982109320000 0.33733396140000
0.00772178250000 -0.00238771900000 0.00084785670000 -0.00019961340000 0.00005233070000 -0.00036544680000 0.00071947000000 -0.00080753900000 0.00100631610000 -0.00476399040000 -0.00333192910000 0.03427670520000 0.06683762850000 -1.04598324170000
0.02214151860000 -0.00691953590000 0.00246538180000 -0.00058075470000 0.00016130860000 -0.00106066000000 0.00221054270000 -0.00319145500000 0.00566143410000 -0.00028605250000 0.04763826510000 -0.10108806660000 -0.37025813310000 2.51036168250000
0.05988376390000 -0.01923216240000 0.00684864580000 -0.00161242640000 0.00041178690000 -0.00295579740000 0.00567205820000 -0.00549193720000 0.00476281980000 -0.05554215120000 -0.09382260980000 0.57030564040000 0.82763005830000 -6.00833836000000
0.14543663520000 -0.04948516190000 0.01781310840000 -0.00419978950000 0.00119970820000 -0.00766430120000 0.01642459020000 -0.02625756920000 0.05149137370000 0.04592016760000 0.55527550280000 -1.39971865840000 -4.34573832440000 8.26160118230000
0.28797623330000 -0.11195783390000 0.04064185480000 -0.00957811040000 0.00234713760000 -0.01760285150000 0.03244632610000 -0.02329634270000 -0.00166889460000 -0.49533195490000 -1.12819738380000 5.38611313080000 7.61301203450000 -7.54277942480000
0.38112942590000 -0.19419934960000 0.07357519780000 -0.01741397070000 0.00532615580000 -0.03178304070000 0.07311923520000 -0.14442454350000 0.33111748790000 0.67855996080000 4.69661080380000 -9.69302717100000 -7.33167040350000 5.61275385580000
0.22573593760000 -0.16493974000000 0.06496653380000 -0.01536300350000 0.00242333480000 -0.02858398770000 0.03366070260000 0.09553282300000 -0.42652021290000 -2.95679171180000 -1.002622518740e1 9.79127897700000 5.36403507650000 -3.86395642640000
0.02653045880000 0.21531556010000 -0.09713468330000 0.02314312130000 -0.00196345550000 0.04211296230000 -0.01812937160000 -0.33801174280000 1.16814719040000 8.38473245720000 11.40718222350000 -7.18654319340000 -3.53076282760000 2.56881404120000
-0.00226092880000 0.66052648210000 -0.44673368660000 0.11128287080000 -0.04029222200000 0.20930216210000 -0.58288260920000 1.74893206800000 -5.17520647410000 -1.126041820630e1 -8.80820949780000 4.52823431010000 2.20747816710000 -1.63766917580000
-0.00309480550000 0.31703496850000 -0.28706696740000 0.07200602290000 -0.00062843130000 0.19670277970000 -0.36140070610000 -1.24619087040000 9.65554613560000 9.37246094820000 5.47100029960000 -2.63554606620000 -1.30731288500000 0.98243511540000
0.00060050770000 -0.00458036640000 0.57922877600000 -0.16947262710000 0.01744446980000 -0.62122570780000 2.06678480210000 -2.60774906970000 -1.022660698340e1 -5.93760438920000 -2.99749593040000 1.43282717650000 0.72115247630000 -0.54557402070000
-0.00028136290000 -0.00810155140000 0.65542321740000 -0.27965367830000 0.15190379520000 -0.25924925440000 -0.57075474250000 5.73664893870000 7.56540573240000 3.22491786860000 1.49744779850000 -0.71946486960000 -0.36511030480000 0.27710650540000
0.00018454130000 -0.00425034320000 0.09145235560000 -0.14353461400000 -0.17650344720000 0.09750325500000 -2.47766092740000 -5.49844890420000 -4.38224155400000 -1.55163679450000 -0.68409296560000 0.32996991860000 0.16812568310000 -0.12779371410000
-0.00007188670000 0.00091341490000 0.00037325580000 0.55847292650000 0.31815342660000 2.02489435730000 3.04334544790000 3.34930689770000 2.07999888360000 0.66235711820000 0.28472120170000 -0.13760107450000 -0.07023134170000 0.05341924740000
0.00002910690000 -0.00054460590000 0.00326409440000 0.68407805310000 -1.45781991270000 -2.40180472830000 -1.83020638260000 -1.49100097490000 -0.83527914390000 -0.25467870020000 -0.10880189950000 0.05265684790000 0.02689319420000 -0.02046122180000
-0.00000817860000 0.00011584420000 0.00012500220000 -0.04875076740000 1.74468452990000 0.86435600750000 0.56448330970000 0.43893727420000 0.24266712220000 0.07398364160000 0.03170016150000 -0.01536111840000 -0.00784684100000 0.00597079640000
* p-type functions
12 10
9124.92264310
1872.61888220
539.12372345
192.35020956
77.99016053
33.92143209
15.24900993
6.90915610
3.08801120
1.32606453
0.52587930
0.20854870
0.00033176670000 -0.00012148870000 0.00008940020000 -0.00013746010000 0.00020989720000 -0.00028357690000 0.00007070250000 -0.00230607860000 0.00549288680000 -0.02599717600000
0.00244839520000 -0.00089676300000 0.00066332390000 -0.00096459650000 0.00124867650000 -0.00118407530000 0.00698312800000 0.00756898940000 -0.08305575540000 0.13317132970000
0.01391978340000 -0.00515404630000 0.00380019680000 -0.00592828390000 0.00941037250000 -0.01345130560000 -0.00432840510000 -0.13294006630000 0.34257948010000 -1.94851514990000
0.05646625120000 -0.02121691100000 0.01582629270000 -0.02296048940000 0.02946137080000 -0.02651285810000 0.19874326930000 0.23626338860000 -2.60552646140000 2.54326096970000
0.16700911890000 -0.06539974360000 0.04911033510000 -0.07915244510000 0.13694187520000 -0.21288962240000 -0.12632214000000 -2.63611289080000 4.02513339270000 -2.14230819400000
0.34045529030000 -0.13945214400000 0.10638452390000 -0.15085446210000 0.17230149860000 -0.09554075530000 2.22010063140000 4.76866270160000 -3.65540359220000 1.54837719230000
0.40826022560000 -0.17796972470000 0.13449707430000 -0.23427272190000 0.45127378620000 -0.82465147690000 -4.91618794420000 -4.52691256030000 2.57322397770000 -1.03004102430000
0.18755389530000 0.03606569170000 -0.08176943640000 0.29569744680000 -1.31485067850000 3.38064079500000 5.18354345400000 3.04675773260000 -1.56976598080000 0.63004514360000
0.01634878400000 0.42962596830000 -0.55690441700000 0.90011117400000 -0.00225622820000 -4.79531260770000 -3.61140096090000 -1.67121729630000 0.85363636960000 -0.34688940980000
0.00222280810000 0.50566663980000 0.00238662620000 -0.70538884140000 2.01774930440000 4.05747755710000 1.91570948790000 0.79032314220000 -0.40879065960000 0.16760179500000
-0.00034822780000 0.16588648560000 0.32447082830000 -0.95387841580000 -2.42681762130000 -2.42306604220000 -0.82983889280000 -0.32719072620000 0.17061694600000 -0.07029282720000
0.00018838120000 0.00259910070000 0.70184533040000 1.17038844730000 1.18352870090000 0.88256949780000 0.25446970680000 0.09931891490000 -0.05194969730000 0.02145366270000
* d-type functions
9 9
160.50535837
47.49999190
17.64671558
7.30777711
3.13717622
1.33306611
0.53882497
0.19642501
0.07160541
0.00225128850000 -0.00239256530000 0.00265381240000 -0.00485384960000 0.01045175000000 -0.01468932400000 0.04302851590000 -0.04593444770000 1.28207713910000
0.01754768150000 -0.01943986120000 0.02441717520000 -0.04878742550000 0.07259191450000 -0.05692458860000 0.00817369740000 -1.49407672640000 -1.22487336790000
0.07097885200000 -0.07599307200000 0.08447239970000 -0.16043591980000 0.36297828630000 -0.51925166290000 1.50688206040000 1.90320170800000 0.93960875110000
0.18875195400000 -0.22375190430000 0.29336419570000 -0.53518920330000 0.54414825420000 -0.01253137700000 -2.71226195430000 -1.48621206420000 -0.63656767140000
0.31869363630000 -0.35133941970000 0.32124224740000 0.17632875360000 -1.16229989740000 1.39052620280000 2.69415241910000 0.91468939330000 0.38074514910000
0.35922004260000 -0.08187476640000 -0.44969875850000 0.75965693100000 0.33311919310000 -2.25755507510000 -1.92671603770000 -0.48253842080000 -0.19978945080000
0.28852773750000 0.41486040800000 -0.46871210780000 -0.44296875280000 0.78689448680000 2.11639639690000 1.07349061930000 0.22215139260000 0.09135354820000
0.11882415340000 0.48320038110000 0.37659513900000 -0.59093286600000 -1.22386569300000 -1.43464757860000 -0.49072757890000 -0.09100091450000 -0.03730128280000
0.01199176960000 0.14061852980000 0.56004424980000 0.85800760100000 0.80971255730000 0.63574681130000 0.16552240990000 0.02984763110000 0.01229975230000
* f-type functions
5 5
6.98057299
3.75172310
1.81265985
0.75497508
0.27731876
0.12586707470000 -0.22972810690000 0.49340762690000 -0.79338379100000 1.95057481330000
0.20866668830000 -0.40368424180000 0.44870280260000 0.25966592690000 -3.28004376610000
0.44922936750000 -0.22223811840000 -0.79189000810000 1.08014406990000 2.51543142280000
0.36467461350000 0.50377100040000 -0.23589660330000 -1.47346318800000 -1.27784414980000
0.15143040840000 0.46823050480000 0.73952429800000 0.91418815330000 0.46083166170000
* g-type functions
4 4
5.68046141
2.88540517
1.22447685
0.42306168
0.20121772530000 -0.50858973550000 0.77604945740000 -1.33791164930000
0.45487492150000 -0.32665566320000 -0.34887908850000 1.97729380060000
0.45649472010000 0.45094579110000 -0.66019684770000 -1.36469664820000
0.16151959350000 0.54025201690000 0.88066347360000 0.58074842600000
* h-type functions
3 3
4.98894114
2.36220243
0.85316523
0.38709469990000 -0.77593433930000 1.03677391440000
0.55237991640000 0.17207317110000 -1.38549281350000
0.30747465730000 0.73889171560000 0.83708851660000
/Ni.ANO-R.Zobel.20s12p9d5f4g3h.14s10p9d5f4g3h.
J.P. Zobel, P.-O. Widmark, V. Veryazov. J. Chem. Theory Comput. 16 (2020) 278-294. doi:10.1021/acs.jctc.9b00873
NICKEL (20s,12p,9d,5f,4g,3h) -> [14s,10p,9d,5f,4g,3h]
28.0 5
* s-type functions
20 14
10669978.08800000
1471445.73610000
275041.71360000
65229.33602600
18590.32864800
6092.93714020
2217.36317280
871.69517005
362.34519423
156.63219271
69.48037040
31.27027141
14.12515216
6.32965645
2.77491377
1.16943100
0.46316719
0.16746496
0.05327375
0.01694738
0.00007571120000 -0.00002324420000 0.00000868500000 -0.00000193220000 0.00000099130000 -0.00000375480000 0.00000720710000 -0.00000860040000 0.00001295540000 -0.00002906260000 0.00004125810000 -0.00015919690000 0.00055383580000 -0.00690638040000
0.00025666470000 -0.00007883950000 0.00002946270000 -0.00000655510000 0.00000335230000 -0.00001274370000 0.00002454410000 -0.00002975150000 0.00004605530000 -0.00008838840000 0.00018547410000 -0.00022689910000 -0.00309713210000 0.02736213380000
0.00085426390000 -0.00026278290000 0.00009818910000 -0.00002184490000 0.00001125690000 -0.00004242320000 0.00008103580000 -0.00009447330000 0.00013629860000 -0.00037765150000 0.00025504390000 -0.00228176300000 0.00671135040000 -0.06829947670000
0.00260955950000 -0.00080459350000 0.00030090140000 -0.00006695460000 0.00003395890000 -0.00013032160000 0.00025323290000 -0.00031979440000 0.00052959320000 -0.00062537140000 0.00308703220000 0.00005993100000 -0.03351709820000 0.20743672520000
0.00773372570000 -0.00239840000000 0.00089637990000 -0.00019941740000 0.00010408040000 -0.00038658590000 0.00072807130000 -0.00078787600000 0.00096589340000 -0.00476366460000 -0.00309441280000 -0.03304005070000 0.07869976260000 -0.71208273700000
0.02205635490000 -0.00691241550000 0.00259150720000 -0.00057686770000 0.00028756080000 -0.00112566390000 0.00222738220000 -0.00304630130000 0.00565741670000 -0.00039447350000 0.04759539680000 0.03693821830000 -0.45593259870000 1.89611213690000
0.05947905150000 -0.01915437360000 0.00717937720000 -0.00159754060000 0.00085062570000 -0.00308874000000 0.00568566400000 -0.00535503720000 0.00414633770000 -0.05525815450000 -0.09111244070000 -0.43693822460000 1.19426441800000 -5.35025516940000
0.14443382660000 -0.04924361700000 0.01864687860000 -0.00415621950000 0.00202234380000 -0.00814185490000 0.01651275230000 -0.02490492070000 0.05199961240000 0.04557136300000 0.55641427330000 0.32014883800000 -4.88965278220000 7.61173911250000
0.28662668810000 -0.11155395760000 0.04261007340000 -0.00950037990000 0.00521544680000 -0.01830594530000 0.03249762440000 -0.02313514750000 -0.00764155530000 -0.49491991540000 -1.11523626680000 -3.23466309520000 9.06597091210000 -6.77876625710000
0.38125779080000 -0.19391673540000 0.07717965350000 -0.01730617870000 0.00791784050000 -0.03431102350000 0.07405932220000 -0.13664104490000 0.34070123830000 0.68235755570000 4.66025544830000 7.41754034250000 -9.88696108270000 4.80496914390000
0.22793857490000 -0.16605660990000 0.06877352510000 -0.01544986940000 0.01052373200000 -0.02862751260000 0.03350973490000 0.08622637370000 -0.46584797980000 -2.98068322240000 -9.97473984800000 -8.04879472620000 7.95834373810000 -3.19070445460000
0.02738749090000 0.21398384510000 -0.10172818340000 0.02316578970000 -0.01789854980000 0.03994137550000 -0.01498478660000 -0.32003612870000 1.28724316920000 8.40562265180000 11.34761879010000 6.04149091560000 -5.44086304740000 2.09948643570000
-0.00197096130000 0.65577481080000 -0.46231080420000 0.11099128030000 -0.04396735850000 0.23546464660000 -0.60764069280000 1.66965403180000 -5.34525619290000 -1.120901899690e1 -8.74708310910000 -3.82165525000000 3.41033566500000 -1.34097926850000
-0.00289874080000 0.31169209580000 -0.28783796010000 0.07001690950000 -0.08354472050000 0.18082722650000 -0.31546541180000 -1.13874394540000 9.76958950750000 9.22660539210000 5.41440975300000 2.21678754500000 -2.00319561460000 0.80587325100000
0.00053668820000 0.00379470500000 0.58877724320000 -0.16999759350000 0.22354663690000 -0.64571714120000 2.07985046080000 -2.65631740770000 -1.020664824050e1 -5.75831359570000 -2.94901187790000 -1.19745305430000 1.09447395800000 -0.44660587070000
-0.00033572120000 0.00122437380000 0.65143490850000 -0.27691296890000 -0.02491621780000 -0.29337953870000 -0.72109573980000 5.73661404340000 7.43847918610000 3.07938724290000 1.46038813930000 0.59633604670000 -0.54869666460000 0.22554585790000
0.00016880230000 -0.00280925210000 0.08684526670000 -0.13617034900000 0.24225711740000 0.35996082750000 -2.28809750910000 -5.49926590590000 -4.23971601570000 -1.46141984180000 -0.66017641150000 -0.27092172550000 0.25010376940000 -0.10316660100000
-0.00006857720000 0.00085795330000 -0.00017616130000 0.56652762030000 -1.38226338270000 1.37820691500000 2.93710437240000 3.35357294720000 1.98400108300000 0.61672704180000 0.27197278530000 0.11191599320000 -0.10346562080000 0.04274444580000
0.00002729470000 -0.00048583780000 0.00219951030000 0.67000219270000 2.47880284530000 -1.25087784580000 -1.72357000610000 -1.48430784520000 -0.78802496660000 -0.23551735380000 -0.10326847700000 -0.04256801810000 0.03937591810000 -0.01627712020000
-0.00000776910000 0.00010965950000 0.00024158800000 -0.04437145570000 -1.94389866600000 -0.13301228310000 0.44730901800000 0.42608788170000 0.22682423230000 0.06855552240000 0.03012886720000 0.01243751710000 -0.01150694440000 0.00475778520000
* p-type functions
12 10
10233.06677400
2080.86779690
595.58421450
211.75501134
85.70172639
37.25006686
16.74581197
7.58982276
3.39276897
1.45603382
0.57614027
0.22797383
0.00032954750000 -0.00012191750000 0.00008478490000 -0.00013786130000 0.00020489710000 -0.00028104250000 0.00007491920000 -0.00234493340000 0.00439280520000 -0.02708379280000
0.00240355590000 -0.00088957000000 0.00062402740000 -0.00095808880000 0.00121885530000 -0.00118071040000 0.00693651890000 0.00782003160000 -0.07685703540000 0.13873344420000
0.01364954540000 -0.00510617970000 0.00355451600000 -0.00587059820000 0.00907510270000 -0.01322222040000 -0.00466719660000 -0.13715227900000 0.27098421220000 -1.95317342150000
0.05557887550000 -0.02110199210000 0.01493344780000 -0.02284403940000 0.02877470700000 -0.02634825390000 0.19909153990000 0.24708178070000 -2.50478508460000 2.61396977780000
0.16536195670000 -0.06543133280000 0.04630772130000 -0.07895314910000 0.13260978230000 -0.21055423590000 -0.13263672360000 -2.64956557810000 3.92326310790000 -2.25841601280000
0.33953552200000 -0.14067932060000 0.10206751790000 -0.15253461790000 0.17329583450000 -0.10113905350000 2.23713071700000 4.77035855520000 -3.57227684770000 1.65351166300000
0.40942572140000 -0.18013257590000 0.12795911660000 -0.23856973720000 0.44962447870000 -0.83674786870000 -4.92822921490000 -4.52187708360000 2.51502718410000 -1.10328434020000
0.18920082490000 0.03640616810000 -0.07494070200000 0.29358914830000 -1.27945848290000 3.40621134050000 5.18084225670000 3.04317891850000 -1.53264204320000 0.67430499220000
0.01682030630000 0.43232320860000 -0.53170834170000 0.89779629910000 -0.07261196450000 -4.79581303000000 -3.59947003550000 -1.66853200940000 0.83163387310000 -0.37043043820000
0.00228347430000 0.50557264550000 0.00864242980000 -0.65290364080000 2.07498957030000 4.01854137630000 1.90416714080000 0.78725637140000 -0.39698406120000 0.17839560590000
-0.00032256660000 0.16314356500000 0.25503715050000 -1.01447767750000 -2.43434989650000 -2.37264829210000 -0.82328995750000 -0.32498190980000 0.16523784640000 -0.07460939990000
0.00018430490000 0.00218012030000 0.76208296260000 1.16225645210000 1.16284181520000 0.85479734730000 0.25250062230000 0.09860385720000 -0.05031712520000 0.02277146790000
* d-type functions
9 9
175.67693735
51.97738654
19.32965942
8.01424781
3.44085025
1.45906335
0.58684658
0.21229367
0.07679793
0.00232217130000 -0.00269633020000 0.00286339520000 -0.00595210460000 0.01078541010000 -0.01359781710000 0.04251057850000 -0.03533422930000 1.28249613650000
0.01815733780000 -0.02202183850000 0.02681192670000 -0.05669164830000 0.06771677410000 -0.05292603320000 0.02043056580000 -1.50544362510000 -1.21413136130000
0.07378594890000 -0.08674027850000 0.09268516180000 -0.20007839520000 0.37963193560000 -0.48613030060000 1.49435978920000 1.92655636480000 0.92783868950000
0.19502684540000 -0.25371118080000 0.31922911500000 -0.59394527080000 0.43614083430000 0.00332183110000 -2.70053905280000 -1.51465045390000 -0.62747706060000
0.32498061160000 -0.37506967850000 0.26529401270000 0.38655117690000 -1.21823007360000 1.29529210660000 2.67151586960000 0.93538960830000 0.37382410740000
0.36106690050000 -0.02266706360000 -0.54210690890000 0.69410268980000 0.66444353310000 -2.16426970830000 -1.89453088630000 -0.49282211280000 -0.19474236930000
0.28188557400000 0.48342060940000 -0.36623864770000 -0.70008859630000 0.46097254510000 2.11650052760000 1.04480047530000 0.22595843360000 0.08828557910000
0.10618880430000 0.42458332620000 0.51353331280000 -0.23828253480000 -1.14263745340000 -1.53886737900000 -0.47215251680000 -0.09208929110000 -0.03581714870000
0.00725997440000 0.08345413040000 0.45637426960000 0.71899351410000 0.90250237340000 0.74248524500000 0.15705700280000 0.03008503020000 0.01180548460000
* f-type functions
5 5
7.81939654
4.23423519
2.01365347
0.83940592
0.31147589
0.12416299020000 -0.23501318710000 0.49423187760000 -0.76884493680000 1.97378921840000
0.21178729150000 -0.41197154410000 0.41894267650000 0.21850911960000 -3.24922299940000
0.45778067710000 -0.20943898190000 -0.77585665640000 1.10995724670000 2.44677567600000
0.35863081160000 0.52087233950000 -0.23030767030000 -1.49847093910000 -1.25363333780000
0.14359970340000 0.44493639620000 0.75616101050000 0.93279028470000 0.44966976250000
* g-type functions
4 4
6.19487358
3.19453829
1.37612810
0.48140151
0.21116681190000 -0.54177146850000 0.82102337540000 -1.34705527250000
0.44840143300000 -0.28863211600000 -0.42925452300000 2.04410045900000
0.45336825910000 0.45268419890000 -0.61683551710000 -1.43453556100000
0.15406411600000 0.53237059890000 0.87784007110000 0.61608461860000
* h-type functions
3 3
5.62768062
2.65727596
0.98573784
0.36932476030000 -0.80397689100000 1.02265486410000
0.56016355760000 0.18421791480000 -1.39777588600000
0.31230533210000 0.71667971170000 0.87522720280000
/Cu.ANO-R.Zobel.21s13p9d5f4g3h.15s10p9d5f4g3h.
J.P. Zobel, P.-O. Widmark, V. Veryazov. J. Chem. Theory Comput. 16 (2020) 278-294. doi:10.1021/acs.jctc.9b00873
COPPER (21s,13p,9d,5f,4g,3h) -> [15s,10p,9d,5f,4g,3h]
29.0 5
* s-type functions
21 15
12928090.33600000
1782352.25470000
334678.58520000
79762.79930900
22795.94788700
7470.53821760
2711.83103330
1062.22953560
440.26862967
190.26218110
84.72805855
38.47541515
17.62050172
8.02988549
3.57795078
1.52262497
0.59983092
0.21001576
0.06203815
0.01448624
0.00338261
0.00007272710000 -0.00002245330000 0.00000825070000 -0.00000178580000 0.00000286390000 -0.00000348480000 0.00000688440000 -0.00000911060000 0.00001030110000 -0.00000967130000 0.00003093160000 -0.00005019570000 0.00009558560000 -0.00007078220000 0.00633744690000
0.00024626050000 -0.00007607150000 0.00002795770000 -0.00000605050000 0.00000969880000 -0.00001179970000 0.00002338330000 -0.00003148170000 0.00003711080000 -0.00003493870000 0.00009246320000 -0.00021299720000 0.00038056210000 -0.00136965170000 -0.03235106080000
0.00080090120000 -0.00024770810000 0.00009102700000 -0.00001970650000 0.00003162340000 -0.00003849140000 0.00007570810000 -0.00009769330000 0.00010331940000 -0.00009653900000 0.00039905300000 -0.00036074320000 0.00157086010000 0.00354111710000 0.11118893940000
0.00238707590000 -0.00074020100000 0.00027222330000 -0.00005889420000 0.00009429060000 -0.00011464200000 0.00022904390000 -0.00032258790000 0.00042083720000 -0.00039874900000 0.00057652970000 -0.00317358280000 0.00089494840000 -0.03255027680000 -0.30681648150000
0.00692454500000 -0.00215758430000 0.00079309820000 -0.00017180960000 0.00027625830000 -0.00033665370000 0.00065367320000 -0.00077715280000 0.00062292190000 -0.00056797520000 0.00500048290000 0.00175435290000 0.02784721180000 0.08920964910000 0.68067552800000
0.01949116730000 -0.00613795480000 0.00226245800000 -0.00048914620000 0.00078109190000 -0.00094808570000 0.00192664480000 -0.00296700100000 0.00457690040000 -0.00437726080000 -0.00093718090000 -0.04573516270000 -0.03328658010000 -0.50507509650000 -2.03218188270000
0.05239787360000 -0.01688399430000 0.00622328270000 -0.00134980730000 0.00217766930000 -0.00265966870000 0.00505990830000 -0.00517139470000 0.00136225380000 -0.00097898100000 0.05873409840000 0.07156722280000 0.39101373580000 0.87885191680000 5.62103108220000
0.12874216810000 -0.04374607710000 0.01627125920000 -0.00351627510000 0.00559598560000 -0.00677583370000 0.01409048920000 -0.02420234160000 0.04384158760000 -0.04223694820000 -0.06154138170000 -0.53605251950000 -0.43437413700000 -4.21293423380000 -8.14722210570000
0.26363492940000 -0.10055915540000 0.03771159220000 -0.00820323290000 0.01330691490000 -0.01630939100000 0.03009296800000 -0.02304011000000 -0.02331278970000 0.02522280650000 0.54385757840000 0.94107667860000 3.65078808320000 8.22950274560000 7.77182606020000
0.37722659230000 -0.18400561290000 0.07158995390000 -0.01548543480000 0.02447946180000 -0.02951249840000 0.06486438000000 -0.13803396870000 0.31066306010000 -0.30196455740000 -0.82322520420000 -4.42020641330000 -8.16758514460000 -9.10379157090000 -6.03098147220000
0.26348947600000 -0.18574698500000 0.07530401600000 -0.01665105950000 0.02787986550000 -0.03476373060000 0.05156466570000 0.06666779210000 -0.46745810980000 0.46551371500000 3.49191065100000 9.85406079890000 9.15193404780000 7.43813550060000 4.30424357330000
0.04657613120000 0.12262904190000 -0.05540199850000 0.01272689960000 -0.02273196420000 0.02834791760000 -0.00986091830000 -0.34046476990000 1.36107235050000 -1.35298297500000 -9.24499069850000 -1.138095761220e1 -7.20590913400000 -5.19562469230000 -2.94408681740000
-0.00252483050000 0.61975861910000 -0.39922372280000 0.09011777530000 -0.13995714690000 0.16219719430000 -0.41930341830000 1.46578574870000 -4.69297870660000 4.64995832210000 11.92302787870000 8.84658687910000 4.72361517310000 3.32062362760000 1.91262008860000
-0.00340975510000 0.41178421380000 -0.39192825800000 0.09560963230000 -0.20413054780000 0.35501778230000 -0.70532376550000 -0.15830920930000 7.66024177210000 -7.80894853590000 -9.57410549200000 -5.46287659420000 -2.77030771610000 -1.96337382500000 -1.15125425120000
0.00024259880000 0.02242476550000 0.42477583880000 -0.12187580940000 0.34811311360000 -0.76415202440000 1.99231813450000 -4.01406622290000 -7.13168916540000 7.75880416930000 5.78677099130000 2.91599012910000 1.47341824700000 1.05729622770000 0.62699151320000
-0.00004657580000 -0.00428179880000 0.74151777160000 -0.24780299090000 0.36752855550000 -0.21531039550000 -0.07379082660000 6.36824851060000 4.45528193110000 -5.47835406280000 -2.93698415970000 -1.38400299800000 -0.70375000570000 -0.50924465670000 -0.30378108260000
0.00015331930000 -0.00438901490000 0.17250030460000 -0.21125587260000 0.08505056960000 0.60599555930000 -2.67094704720000 -5.17678380200000 -2.03564832070000 3.09496385060000 1.29161465210000 0.58578678340000 0.29915692090000 0.21740290450000 0.13005025810000
-0.00004275090000 0.00090708710000 -0.00638381640000 0.45580504780000 -1.51713311080000 0.75737461930000 2.93219058660000 2.74984317630000 0.70518902780000 -1.45360244190000 -0.49645139000000 -0.22171137270000 -0.11344812800000 -0.08259683090000 -0.04946725070000
0.00001580830000 -0.00041266420000 0.00371986290000 0.74911916010000 0.83437993750000 -1.83770946540000 -1.87825149020000 -1.11368370760000 -0.31394439730000 0.45935735930000 0.17110708830000 0.07621537840000 0.03907256190000 0.02846799430000 0.01705722760000
-0.00000498810000 0.00011042440000 -0.00074109500000 0.00704910510000 0.53363992660000 1.77410748260000 1.00646922110000 0.47027878850000 0.66110643620000 0.38953715650000 -0.05727286490000 -0.02506419200000 -0.01301530600000 -0.00948771910000 -0.00568809360000
0.00000148690000 -0.00003337230000 0.00022473040000 0.00641743270000 -0.09878621910000 -0.52922472930000 -0.37635270770000 -0.25580904570000 -1.01205989760000 -0.90862787570000 0.01774843110000 0.00698252420000 0.00384982440000 0.00280957770000 0.00168812470000
* p-type functions
13 10
21037.02827400
4087.28400790
1125.65896590
390.20951446
156.32662428
68.24699512
31.22379152
14.58341451
6.81436293
3.11907662
1.35876051
0.53940536
0.21413497
0.00015327190000 -0.00005693900000 0.00004607460000 -0.00005730190000 0.00008256050000 -0.00009060180000 0.00027540340000 -0.00008714600000 0.00227230030000 -0.00220079380000
0.00102760380000 -0.00038239500000 0.00031009110000 -0.00040192110000 0.00059515990000 -0.00065168930000 0.00030893620000 0.00673409310000 -0.01161271740000 0.05563430190000
0.00593432630000 -0.00221924040000 0.00179805810000 -0.00220903350000 0.00315634510000 -0.00346521970000 0.01382202110000 -0.01523015870000 0.14022075190000 -0.14655804230000
0.02564868730000 -0.00969721020000 0.00790447040000 -0.01036664060000 0.01560628450000 -0.01730383710000 0.00148903030000 0.22085917800000 -0.36125783330000 2.33067657800000
0.08607660180000 -0.03337803350000 0.02735354030000 -0.03361818120000 0.04916448040000 -0.05586492820000 0.25648860040000 -0.32473749950000 2.94813185900000 -3.68477125160000
0.21488838160000 -0.08680627200000 0.07248391330000 -0.09823101850000 0.15766629060000 -0.18448202630000 -0.04107797070000 2.88903224340000 -5.09700115970000 3.43647116180000
0.37230919770000 -0.15937556740000 0.13282496190000 -0.15695555480000 0.21178554040000 -0.23008572250000 1.92292532820000 -5.75164155090000 4.93932588510000 -2.53541462980000
0.35704755780000 -0.14832756300000 0.12520033730000 -0.19051897130000 0.28796933040000 -0.22240003470000 -5.10229066480000 5.96113349490000 -3.55155264520000 1.65062442890000
0.12115236010000 0.13147455190000 -0.24301696200000 0.53453516320000 -1.61603002250000 2.67733704070000 5.97493756110000 -4.27031475440000 2.14647861190000 -0.97526685460000
0.00848572270000 0.47145045790000 -0.57578107780000 0.61990903230000 0.88042164060000 -4.59092093430000 -4.44232620540000 2.40824754220000 -1.13601089420000 0.51634871540000
0.00128121920000 0.44704151970000 0.20290747730000 -0.91109735720000 1.25029932910000 4.28997002200000 2.43445507750000 -1.13281453910000 0.52454545310000 -0.23921676660000
-0.00001600750000 0.11614532540000 0.41845134890000 -0.57839729750000 -2.15972844620000 -2.74592393530000 -1.06996897870000 0.46051026680000 -0.21202365530000 0.09693068570000
0.00006858090000 0.00065145220000 0.52973408030000 1.11266272270000 1.18884275430000 1.05229398190000 0.33189954660000 -0.13880633290000 0.06384450650000 -0.02923919810000
* d-type functions
9 9
171.80704483
50.78282631
18.78240143
7.72174325
3.26120269
1.34060425
0.51337687
0.17447158
0.05929432
0.00290908730000 -0.00346423080000 0.00410187590000 -0.00941583630000 0.01703620210000 -0.01429778350000 0.03746680060000 -0.17138546730000 1.26874809500000
0.02215879840000 -0.02725693610000 0.03627847520000 -0.07373901010000 0.07809528410000 -0.04077458110000 0.08496121510000 -1.34923279070000 -1.35176197340000
0.08826491040000 -0.10710852180000 0.12610443670000 -0.30178845450000 0.58119147280000 -0.49654884630000 1.25643447380000 1.83370472390000 1.10402560870000
0.22142777550000 -0.29245410550000 0.40953391600000 -0.60789522590000 -0.04054134550000 0.51878842230000 -2.45498365060000 -1.46971996830000 -0.75653021490000
0.34340519790000 -0.35229543410000 0.13081852510000 0.87062859200000 -1.14774452460000 0.18927855690000 2.57158232590000 0.90287655190000 0.43970207060000
0.35963271430000 0.07417075240000 -0.71969642680000 0.20202479050000 1.46172736530000 -0.99523834960000 -1.95040331510000 -0.46573744990000 -0.21932762460000
0.25832132780000 0.53410161230000 -0.09564668990000 -0.85596050090000 -0.79115989670000 1.43929204650000 1.19087991200000 0.21037927460000 0.09548369490000
0.08440373120000 0.36333280620000 0.65540953690000 0.41501333420000 -0.16090149070000 -1.53855766120000 -0.63598205550000 -0.08677292650000 -0.03792569870000
0.00363333840000 0.03155897000000 0.18742207740000 0.33991283470000 0.64032263660000 1.11923753470000 0.26305883270000 0.02954875500000 0.01262139770000
* f-type functions
5 5
9.30834713
5.15319767
2.54483183
1.09016477
0.39901038
0.10506765920000 -0.20787005450000 0.42356071480000 -0.69950998040000 2.17450436430000
0.16964010920000 -0.38036456830000 0.52129372470000 -0.07348907430000 -3.59187105110000
0.42950054260000 -0.31614898340000 -0.67459585120000 1.44656469430000 2.63253026790000
0.39521812670000 0.44723494090000 -0.42666074970000 -1.59883486540000 -1.24076443800000
0.19808638060000 0.51885554160000 0.79612350990000 0.86775783060000 0.40337634780000
* g-type functions
4 4
6.92597488
3.60983432
1.60727088
0.58901963
0.19650267830000 -0.54788509790000 0.82541029010000 -1.40052196760000
0.43837894030000 -0.29766364340000 -0.40494466820000 2.17187946740000
0.46012681130000 0.42924248860000 -0.66968574920000 -1.54615710830000
0.15882524220000 0.54107707530000 0.90273295820000 0.65069021990000
* h-type functions
3 3
6.36821435
3.02549596
1.14577553
0.32087533520000 -0.74711363920000 1.09431814430000
0.57093937020000 0.04528506010000 -1.43130736600000
0.34633514120000 0.76419862630000 0.84042420840000
/Zn.ANO-R.Zobel.20s13p9d5f4g3h.13s9p9d4f4g3h.
J.P. Zobel, P.-O. Widmark, V. Veryazov. J. Chem. Theory Comput. 16 (2020) 278-294. doi:10.1021/acs.jctc.9b00873
ZINC (20s,13p,9d,5f,4g,3h) -> [13s,9p,9d,4f,4g,3h]
30.0 5
* s-type functions
20 13
12740314.87800000
1760129.31090000
328866.99471000
77836.71209100
22115.66847700
7222.67762600
2619.15329270
1026.36865910
425.55597740
183.63280273
81.37564331
36.60687228
16.53006475
7.40079072
3.23692131
1.35734156
0.53269333
0.18970699
0.05895697
0.01832259
0.00007896650000 -0.00003296940000 0.00001007190000 -0.00000208790000 0.00000393330000 -0.00000767890000 0.00000882050000 -0.00000702990000 0.00001304360000 -0.00003176540000 0.00004673330000 -0.00008028740000 0.00018895290000
0.00026638160000 -0.00011126370000 0.00003399950000 -0.00000704780000 0.00001328520000 -0.00002600360000 0.00003026520000 -0.00002462390000 0.00004552040000 -0.00009724400000 0.00019744710000 -0.00012243800000 0.00100539690000
0.00086993160000 -0.00036379570000 0.00011119800000 -0.00002305420000 0.00004339250000 -0.00008440470000 0.00009509830000 -0.00007342060000 0.00013696560000 -0.00039756810000 0.00033277450000 -0.00159973910000 0.00100383680000
0.00260413650000 -0.00109110580000 0.00033396320000 -0.00006922170000 0.00013070460000 -0.00025760100000 0.00031053730000 -0.00026632940000 0.00048880000000 -0.00068996690000 0.00298165020000 0.00303107380000 0.01306479070000
0.00757556040000 -0.00318933770000 0.00097716980000 -0.00020266220000 0.00038044580000 -0.00073178640000 0.00077341490000 -0.00052960230000 0.00100619870000 -0.00476062080000 -0.00184929630000 -0.03476249350000 -0.01111011330000
0.02129482580000 -0.00903988430000 0.00278448990000 -0.00057713560000 0.00109380670000 -0.00218773550000 0.00283475840000 -0.00267759480000 0.00486628330000 -0.00092400480000 0.04336059680000 0.10893062970000 0.25713022980000
0.05683868290000 -0.02465805710000 0.00764445750000 -0.00158686520000 0.00296639640000 -0.00560024050000 0.00524235280000 -0.00263128560000 0.00527393270000 -0.05390841820000 -0.07455861710000 -0.54470722490000 -0.33354948210000
0.13730066770000 -0.06231416170000 0.01975481470000 -0.00409837470000 0.00781081810000 -0.01594567280000 0.02264206510000 -0.02372074990000 0.04284798980000 0.04068312380000 0.49509108100000 1.48069015170000 3.45841311690000
0.27187089200000 -0.13747518640000 0.04520512190000 -0.00941705690000 0.01749895830000 -0.03207426540000 0.02368910820000 -0.00185509850000 0.00794869370000 -0.48175724200000 -0.90649643510000 -5.58737038080000 -6.50675969130000
0.36091541740000 -0.22901139660000 0.08212058450000 -0.01714115560000 0.03318252600000 -0.07127308420000 0.12211993260000 -0.15036099560000 0.27173765840000 0.64246931500000 4.30857717720000 9.99091540620000 6.22260145630000
0.21511952250000 -0.18985618280000 0.07452165760000 -0.01581288740000 0.02773798760000 -0.03709107640000 -0.06424856840000 0.18760426240000 -0.31770350270000 -2.90257682810000 -9.62201975200000 -1.022861082250e1 -4.47418192010000
0.04917319550000 0.20803283530000 -0.10836446790000 0.02361260690000 -0.03741199480000 0.02186426670000 0.27224074670000 -0.56530499060000 0.94930161380000 8.31067472460000 11.10877184670000 7.64609841590000 2.92107505580000
0.06040632230000 0.64685008860000 -0.48574442110000 0.11047547120000 -0.23182586280000 0.58549951720000 -1.49239062430000 2.28992708420000 -4.60164960760000 -1.115601441590e1 -8.62872871480000 -4.86845090560000 -1.82057746980000
0.02635927810000 0.30252856280000 -0.28523954970000 0.06858294770000 -0.16126103440000 0.29025676610000 0.91272931620000 -3.44337318430000 8.85435290930000 9.23920517360000 5.36304346730000 2.82898151540000 1.07145498750000
0.00224041590000 0.01573274430000 0.60396671350000 -0.17703900640000 0.61742168480000 -1.94737780870000 2.52905560820000 2.02748527530000 -9.71689016330000 -5.80713119570000 -2.91986129210000 -1.51986509990000 -0.58352962880000
0.00125197500000 0.01403755790000 0.64160043550000 -0.26303063430000 0.26910810800000 0.64114336090000 -4.85592891400000 0.60536759220000 7.62523245470000 3.13466858270000 1.43799258750000 0.74862055520000 0.28977055030000
0.00008648250000 -0.00102409200000 0.08140325840000 -0.14631349880000 -0.36522272040000 1.95383229790000 3.86218414820000 -2.46424177120000 -4.91288031890000 -1.51026395700000 -0.64454708050000 -0.33527585420000 -0.13026710800000
0.00001950350000 0.00086742010000 -0.00149869680000 0.62971372850000 -1.25392763310000 -2.01201576980000 -1.36310894080000 3.05660688740000 2.83683085810000 0.65712102930000 0.26378374300000 0.13650118280000 0.05309114030000
-0.00000751300000 -0.00033038140000 0.00061227730000 0.59099384990000 1.08291689410000 0.49954097050000 -0.41495328550000 -2.85738898860000 -1.61273743840000 -0.26948048570000 -0.10076040540000 -0.05150545060000 -0.02001461650000
0.00000235410000 0.00009814430000 -0.00007915950000 -0.00780843390000 0.25441439940000 0.38104327840000 0.69243893900000 1.66787968870000 0.71954080390000 0.08846382190000 0.03024284410000 0.01515306660000 0.00587426780000
* p-type functions
13 9
24023.40773400
4616.39574170
1261.16249600
434.87926800
173.69850483
75.72467509
34.63176126
16.18082063
7.57065550
3.47640041
1.52509948
0.61392168
0.24713131
0.00014969410000 -0.00005616470000 0.00001589090000 -0.00006599430000 0.00008082970000 -0.00011427470000 0.00016867640000 -0.00254759210000 0.00202960380000
0.00098757040000 -0.00037123160000 0.00009611670000 -0.00045112080000 0.00056026100000 -0.00062950990000 -0.00713525870000 0.01301410610000 -0.05440272010000
0.00567321380000 -0.00214251050000 0.00062436740000 -0.00249460970000 0.00304436130000 -0.00462142320000 0.02140732030000 -0.15729602490000 0.12895804280000
0.02458905360000 -0.00938892650000 0.00238538650000 -0.01156629080000 0.01457627750000 -0.01587926980000 -0.22477770800000 0.35674782230000 -2.29882738380000
0.08306102190000 -0.03250428480000 0.00970799420000 -0.03815509110000 0.04774889550000 -0.07807874510000 0.40263223760000 -2.91517119840000 3.66283193710000
0.20972276410000 -0.08552759980000 0.02113846860000 -0.11009058290000 0.14773344360000 -0.16326570250000 -3.07571595650000 4.92898335020000 -3.45538604380000
0.36893894780000 -0.15933837200000 0.05154763080000 -0.18564690450000 0.22103276830000 -0.41634901870000 5.61771399730000 -4.62676374680000 2.58708286520000
0.36196480200000 -0.15297705270000 0.02455244840000 -0.22037737460000 0.28039229740000 0.08822468260000 -5.30119888910000 3.21727771640000 -1.70913645590000
0.12769192020000 0.12252184770000 -0.00656967430000 0.49198407790000 -1.41554368250000 2.47749803880000 3.45672166420000 -1.89735165030000 1.02395918040000
0.00955080070000 0.46602355240000 -0.24396762820000 0.78591385280000 0.34350756880000 -4.49392340920000 -1.80582605050000 0.99468931950000 -0.55018632910000
0.00145775700000 0.45236255530000 0.03908160930000 -0.56966922500000 1.82753389930000 4.15294293070000 0.80825822020000 -0.46057376960000 0.25905000370000
-0.00001008790000 0.12237630260000 -0.38822211120000 -1.07194586200000 -2.35940107110000 -2.53160069770000 -0.31946875270000 0.18706056490000 -0.10621751320000
0.00007358350000 0.00127289130000 1.25437472320000 0.81838513610000 1.07165037160000 0.89451154790000 0.09462934500000 -0.05605958160000 0.03196265330000
* d-type functions
9 9
208.95665304
61.79696488
23.02707169
9.56820450
4.10967424
1.73748341
0.69373002
0.24802047
0.08867160
0.00238937800000 -0.00308168180000 0.00397329930000 -0.00890452480000 0.01382315520000 -0.01096725860000 0.04188165900000 -0.01269444860000 1.28307373120000
0.01878894670000 -0.02522452830000 0.03890915420000 -0.07122381510000 0.06131573920000 -0.02615969270000 0.03024870910000 1.55290009700000 -1.15985554400000
0.07700746140000 -0.10145296870000 0.13132887970000 -0.31232041260000 0.50135564060000 -0.39788480870000 1.44916192740000 -1.98054894190000 0.86005662620000
0.20177589180000 -0.28978283180000 0.45515287140000 -0.62720562500000 0.10709766220000 0.29108132520000 -2.67454333470000 1.56584821730000 -0.57250004790000
0.33010401080000 -0.39034536450000 0.13116344010000 0.98069545120000 -1.35186761540000 0.45062768380000 2.70525352170000 -0.96972817350000 0.33679846230000
0.35957500450000 0.04402312590000 -0.81325446330000 0.10206196990000 1.76480007200000 -1.21163251420000 -1.98425872910000 0.51043268190000 -0.17278227420000
0.27513739110000 0.53863072670000 -0.02602559510000 -0.94397652540000 -1.12018240410000 1.60156547730000 1.16498760880000 -0.23419778840000 0.07702685710000
0.10195073140000 0.35768356190000 0.67976176750000 0.62897243130000 0.05206130510000 -1.69440558500000 -0.59646664140000 0.09652984620000 -0.03086463510000
0.00317684900000 0.01703717930000 0.08869141360000 0.20680892620000 0.60450095760000 1.26382511860000 0.24286995140000 -0.03252295440000 0.01015328900000
* f-type functions
5 4
10.33929955
5.52576262
2.64725498
1.10953637
0.40899898
0.10737087350000 -0.21580994830000 0.42102353200000 -0.64358752760000
0.19983147720000 -0.42754862290000 0.49207560600000 -0.07176291140000
0.45259511850000 -0.23985099900000 -0.73264138810000 1.34814014110000
0.37644087820000 0.51032186790000 -0.31435610300000 -1.57070394610000
0.15772023310000 0.45064824680000 0.79886368840000 0.91204508040000
* g-type functions
4 4
7.32420651
3.73915124
1.63655915
0.58081551
0.22865765170000 -0.59967773300000 0.73905381830000 -1.34969440390000
0.46804717600000 -0.21583763520000 -0.36175447250000 2.07301159400000
0.42768671320000 0.48271417570000 -0.64752395450000 -1.46245615040000
0.12843591130000 0.49803591560000 0.93473646000000 0.59025489220000
* h-type functions
3 3
7.10966060
3.38328362
1.28131925
0.31578469490000 -0.23187495350000 1.30801507850000
0.57875714380000 -0.54283550450000 -1.32445027760000
0.34031553770000 1.04278571750000 0.45566342380000
/Ga.ANO-R.Zobel.20s15p9d6f4g.13s12p9d5f4g.
J.P. Zobel, P.-O. Widmark, V. Veryazov. J. Chem. Theory Comput. 16 (2020) 278-294. doi:10.1021/acs.jctc.9b00873
GALLIUM (20s,15p,9d,6f,4g) -> [13s,12p,9d,5f,4g]
31.0 4
* s-type functions
20 13
14171032.01100000
1981980.47440000
372245.01188000
88199.83870900
25037.35891100
8164.12506340
2956.29272850
1157.35678760
479.66183247
206.99950049
91.78916480
41.35028688
18.72467078
8.42829825
3.72226164
1.58718548
0.64021696
0.23800950
0.07891029
0.02616212
0.00007986090000 -0.00003306650000 0.00001383940000 -0.00000247260000 0.00000087370000 -0.00000602720000 0.00000785500000 -0.00000953560000 0.00001421880000 -0.00003633310000 0.00004351310000 -0.00102639320000 0.00162908570000
0.00026692520000 -0.00011056560000 0.00004628590000 -0.00000827030000 0.00000292470000 -0.00002016440000 0.00002628580000 -0.00003194910000 0.00005050530000 -0.00011287650000 0.00016516300000 0.00408232250000 -0.00464804200000
0.00086079780000 -0.00035696510000 0.00014947570000 -0.00002671010000 0.00000942840000 -0.00006508910000 0.00008480470000 -0.00010277540000 0.00014019920000 -0.00043178110000 0.00032671070000 -0.01083477650000 0.01934901160000
0.00254264150000 -0.00105640910000 0.00044286460000 -0.00007916530000 0.00002805150000 -0.00019315240000 0.00025193090000 -0.00030728020000 0.00056090840000 -0.00085909510000 0.00240767770000 0.04705191020000 -0.06049135830000
0.00730658290000 -0.00304941000000 0.00127961650000 -0.00022879060000 0.00008050490000 -0.00055703770000 0.00072532570000 -0.00087412940000 0.00083470380000 -0.00475972840000 -0.00111429210000 -0.16237673040000 0.31662475070000
0.02034290740000 -0.00855733110000 0.00360667950000 -0.00064582610000 0.00022983280000 -0.00157832860000 0.00206099480000 -0.00253462520000 0.00602217210000 -0.00293885370000 0.03456665880000 0.30730914990000 -0.71991291950000
0.05397138620000 -0.02316157910000 0.00981721140000 -0.00176037090000 0.00061618270000 -0.00428100860000 0.00557181740000 -0.00665209730000 0.00160478880000 -0.05060803310000 -0.06386912690000 -0.18380158200000 1.70982575830000
0.13047301140000 -0.05838073550000 0.02520769070000 -0.00454751860000 0.00162831400000 -0.01114996740000 0.01459345220000 -0.01817998420000 0.05731689580000 0.01978441160000 0.37467837160000 0.93355058820000 0.52760026460000
0.26122223430000 -0.12908946380000 0.05750365180000 -0.01046487310000 0.00363434380000 -0.02545348380000 0.03317498910000 -0.03915081170000 -0.03365286130000 -0.44243666720000 -0.69998550400000 -5.27795409900000 -2.90410745580000
0.35795141050000 -0.21839419820000 0.10470926670000 -0.01950365620000 0.00708622770000 -0.04834684140000 0.06384919870000 -0.08229090610000 0.39807301820000 0.40505353770000 4.14773700480000 9.78580023990000 2.55039211320000
0.22781229360000 -0.19304850710000 0.10057712880000 -0.01921472900000 0.00629632170000 -0.04642747210000 0.06049271590000 -0.06397133370000 -0.62881832900000 -2.45475426380000 -9.67272221570000 -1.011780389090e1 -1.56320704950000
0.05452485880000 0.16121274200000 -0.10955408900000 0.02244059630000 -0.00669658570000 0.05293980910000 -0.06528122550000 0.04211222800000 1.80856173270000 7.83509250240000 11.54550562020000 7.66253749950000 0.99067950340000
0.06403000870000 0.58184532650000 -0.54130138160000 0.12433683610000 -0.04720244980000 0.34520652960000 -0.51866051060000 0.85268306540000 -6.27614332640000 -1.065582856990e1 -9.29964169010000 -4.96394516890000 -0.64648410070000
0.03153454140000 0.29642828510000 -0.36678081220000 0.09061094920000 -0.02580097440000 0.23095175620000 -0.31774788730000 0.17836718810000 10.69031423590000 8.66434586970000 5.96136746480000 2.94598121060000 0.39774316890000
0.00488913270000 0.08158047020000 0.55103480790000 -0.18433983250000 0.05347541360000 -0.86999871900000 2.01751337430000 -4.09859475520000 -1.068502266870e1 -5.21509534930000 -3.32598214560000 -1.62565156340000 -0.22440303780000
0.00417195420000 0.09067598990000 0.67335506310000 -0.32991542830000 0.15047684520000 -0.59234757340000 -0.89189260190000 6.93296416830000 7.44950868260000 2.65828924140000 1.67934167240000 0.82849854770000 0.11548412550000
0.00047319220000 0.01030140670000 0.10248731430000 -0.15568308940000 0.00286547570000 1.30161754300000 -2.18957551170000 -6.41902602670000 -4.05906734270000 -1.22024738360000 -0.77504677140000 -0.38624249220000 -0.05403369110000
0.00003050630000 0.00067141510000 -0.00355872100000 0.70147722630000 -0.17612717990000 0.78038507060000 3.53134779440000 4.09819351500000 1.85383933710000 0.51150472390000 0.32652431580000 0.16374278390000 0.02293486750000
-0.00001443860000 -0.00030980120000 0.00113552560000 0.54311617790000 -1.00222761490000 -1.90231349370000 -2.67257997520000 -1.99886160560000 -0.74111643200000 -0.19646153030000 -0.12583974890000 -0.06329508940000 -0.00886929070000
0.00000443200000 0.00009571020000 -0.00026905750000 -0.00923741730000 1.59242553260000 0.87862849390000 0.98676943180000 0.63173976090000 0.21691046500000 0.05682023530000 0.03646069350000 0.01835970410000 0.00257306890000
* p-type functions
15 12
22159.24963300
4389.70029790
1200.00800820
410.76322292
163.30003729
71.21761945
32.64796957
15.23508296
7.05584077
3.17143921
1.35176005
0.53137992
0.18579959
0.05505359
0.01631273
0.00018428250000 -0.00007142360000 0.00001260740000 -0.00002686060000 0.00005218680000 -0.00006227800000 0.00002954010000 -0.00007492220000 0.00029345650000 -0.00012005230000 0.00202959750000 -0.00154859900000
0.00119256920000 -0.00046232600000 0.00008177360000 -0.00017760310000 0.00033451700000 -0.00043591130000 0.00033251620000 -0.00079888380000 0.00093290010000 0.00659693300000 -0.00505983310000 -0.03754972430000
0.00693705550000 -0.00270990640000 0.00047843870000 -0.00101281450000 0.00198731450000 -0.00230096470000 0.00085585600000 -0.00229969020000 0.01321158030000 -0.01724177710000 0.12486872420000 -0.01272036780000
0.03018318180000 -0.01190529750000 0.00211074800000 -0.00459926410000 0.00861513870000 -0.01146982200000 0.00936665570000 -0.02260428980000 0.02107137550000 0.21021406530000 -0.11125885640000 -2.09149644210000
0.09980844730000 -0.04060915390000 0.00719808360000 -0.01513450510000 0.03000130250000 -0.03403384750000 0.00956267490000 -0.02940432050000 0.23998598570000 -0.33017942870000 2.53207021130000 3.70288140980000
0.23898644970000 -0.10117224800000 0.01810201890000 -0.03975826820000 0.07340115740000 -0.10177676600000 0.09472757370000 -0.23674108870000 0.15502680950000 2.86823366120000 -4.68255372260000 -3.74416261150000
0.38840770370000 -0.17584160580000 0.03154543590000 -0.06555014710000 0.13612153130000 -0.14178121610000 -0.01114160210000 -0.02072197130000 1.53905979940000 -5.80560914010000 4.56992894650000 2.88910503150000
0.32939213450000 -0.12786168610000 0.02286773390000 -0.06227185950000 0.12723733890000 -0.30184963070000 0.48657164950000 -0.65229531840000 -4.51757721000000 6.07403335150000 -3.21912619000000 -1.88720307720000
0.09100493590000 0.20515209850000 -0.04576063050000 0.12666371100000 -0.32683544620000 1.04171000660000 -1.54745648000000 3.05513850310000 5.06914150890000 -4.32134110970000 1.87567704550000 1.08870868070000
0.00801667870000 0.52404218970000 -0.11434827670000 0.27905113160000 -0.78837044370000 0.20366157500000 1.62315978560000 -4.49869531650000 -3.55224727090000 2.39610559200000 -0.96064975350000 -0.56273842690000
0.00308929790000 0.38169004290000 -0.10250968110000 0.17386035040000 0.89119068240000 -2.06326729130000 -0.60766999900000 3.88099747940000 1.93435618690000 -1.11909655820000 0.44170603500000 0.26158038690000
0.00032682550000 0.05672073190000 0.09733749560000 -0.74253947550000 0.70737062890000 2.29308919370000 -0.41690796570000 -2.50276225360000 -0.90849316360000 0.46068672450000 -0.18344342220000 -0.10958868320000
0.00002712920000 0.00000048180000 0.52638618330000 -0.45808464220000 -1.31382273170000 -1.30020823730000 1.00908410530000 1.42561505430000 0.39799177320000 -0.17157512230000 0.06936672580000 0.04170719210000
-0.00000803090000 0.00036419590000 0.52254852860000 0.83316382050000 0.64504107450000 0.21426574800000 -1.40286222550000 -0.88536826470000 -0.19021117650000 0.06025653870000 -0.02494389510000 -0.01508707340000
0.00000252450000 -0.00009823960000 0.03025910230000 0.07836105280000 0.13426394220000 0.34938033900000 1.27369068120000 0.53063250050000 0.09265533860000 -0.01795861930000 0.00777756270000 0.00474630740000
* d-type functions
9 9
248.99387695
73.63646775
27.60203370
11.56572279
5.03191619
2.17336140
0.89639586
0.33392509
0.12439366
0.00207268440000 -0.00279371180000 0.00221552500000 -0.00343777580000 0.00420551010000 -0.00720348830000 0.04910185160000 -0.06009952820000 1.28368842970000
0.01669902220000 -0.02283298680000 0.01845022890000 -0.03062293290000 0.03860836050000 -0.04523230870000 -0.15614006050000 1.61070726320000 -1.10770911930000
0.07013641570000 -0.09760841710000 0.07903314190000 -0.12629904620000 0.16604429510000 -0.30591123810000 1.86579848250000 -1.83902539650000 0.80996429460000
0.19045079650000 -0.27956374030000 0.24585434670000 -0.45511438720000 0.62650725700000 -0.80046499270000 -2.86250609070000 1.33914797180000 -0.54670109420000
0.32580693960000 -0.38121569540000 0.22259408120000 -0.03277351980000 -0.76212679460000 2.32894607890000 2.48089220870000 -0.80149518530000 0.33154007770000
0.36562543040000 0.00155181980000 -0.38990947380000 0.96102827970000 -0.41225141760000 -2.70199822010000 -1.57336610920000 0.41919578910000 -0.17675478450000
0.27882980910000 0.53088747080000 -0.43274980730000 -0.51607316010000 1.47147527440000 2.03652784560000 0.79997215820000 -0.19180956920000 0.08169139180000
0.09405611760000 0.36969425940000 0.48126616860000 -0.64454673470000 -1.62519091540000 -1.18698559800000 -0.34630620860000 0.07870791610000 -0.03348934670000
0.00175978310000 0.05441150070000 0.58462077610000 0.88957529000000 0.93640238060000 0.48798701610000 0.11669142940000 -0.02605923060000 0.01101185600000
* f-type functions
6 5
11.15154606
5.81955449
2.88504568
1.31316456
0.56181661
0.20750195
0.12675988660000 -0.25875103840000 0.39523194960000 -0.42946141120000 2.03478782930000
0.17802786720000 -0.30902131760000 0.29616366360000 -0.18501145530000 -3.19140788320000
0.41632011210000 -0.30734176690000 -0.21021293750000 0.65335105480000 2.12008333040000
0.36827067640000 0.34401944520000 -0.66927786890000 0.12560479450000 -0.71531230160000
0.18775435370000 0.51328256380000 0.43253227660000 -1.04022158760000 0.06013721070000
0.02144926010000 0.16350636460000 0.55361758820000 1.03691250430000 0.05640221610000
* g-type functions
4 4
7.42782124
3.39669803
1.37659708
0.45768666
0.19425797530000 -0.56202700340000 0.59990839920000 -1.16616632160000
0.45900416620000 -0.29133918720000 -0.16078867730000 1.69685740640000
0.47870944590000 0.42455446170000 -0.70906969690000 -1.18021363570000
0.16886659350000 0.51593222360000 0.92553103070000 0.45226692040000
/Ge.ANO-R.Zobel.20s15p9d6f4g.13s12p9d6f4g.
J.P. Zobel, P.-O. Widmark, V. Veryazov. J. Chem. Theory Comput. 16 (2020) 278-294. doi:10.1021/acs.jctc.9b00873
GERMANIUM (20s,15p,9d,6f,4g) -> [13s,12p,9d,6f,4g]
32.0 4
* s-type functions
20 13
15871072.23500000
2238731.16540000
422359.95154000
100236.91588000
28445.75601100
9261.88832880
3346.99824970
1307.57417040
540.97739468
233.22387744
103.42499653
46.66364459
21.20338403
9.60007763
4.27779648
1.84758050
0.75854624
0.28878554
0.09879402
0.03379760
0.00008007050000 -0.00003429210000 0.00001422900000 -0.00000276040000 0.00000100580000 -0.00000602070000 0.00000862910000 -0.00001073660000 0.00001515090000 -0.00003602550000 0.00004364770000 -0.00068291280000 0.00180551150000
0.00026647410000 -0.00011417040000 0.00004738450000 -0.00000919370000 0.00000335240000 -0.00002005920000 0.00002874390000 -0.00003591370000 0.00005340060000 -0.00010898700000 0.00019190880000 0.00196019810000 -0.00585383040000
0.00084798600000 -0.00036370820000 0.00015099690000 -0.00002929640000 0.00001066180000 -0.00006386780000 0.00009157100000 -0.00011328160000 0.00014780170000 -0.00043099720000 0.00026942820000 -0.00876399440000 0.02960683950000
0.00247001770000 -0.00106144670000 0.00044118080000 -0.00008564710000 0.00003129890000 -0.00018705870000 0.00026787310000 -0.00033854230000 0.00057255680000 -0.00074241050000 0.00282771110000 0.03436886600000 -0.06559105240000
0.00700704810000 -0.00302387450000 0.00125825430000 -0.00024422850000 0.00008856830000 -0.00053166290000 0.00076338290000 -0.00092637590000 0.00087732920000 -0.00489602380000 -0.00241133980000 -0.08488712770000 0.17496509390000
0.01932382270000 -0.00840340450000 0.00351212670000 -0.00068315510000 0.00025087220000 -0.00149571260000 0.00213827770000 -0.00277538940000 0.00597365670000 -0.00093247910000 0.04036956690000 0.11960537950000 -0.19709978800000
0.05100569640000 -0.02259378050000 0.00949906340000 -0.00184846040000 0.00066632230000 -0.00401515910000 0.00578352550000 -0.00678242810000 0.00194914910000 -0.05424146720000 -0.08055855200000 0.22841261820000 0.64876064350000
0.12353961610000 -0.05692013200000 0.02437951490000 -0.00477866850000 0.00176719130000 -0.01050894800000 0.01499696000000 -0.02024038280000 0.05635192600000 0.04283654570000 0.45677110470000 -1.14780164850000 2.09423313490000
0.25031574460000 -0.12644407330000 0.05591754460000 -0.01103439670000 0.00394226660000 -0.02393499850000 0.03471907660000 -0.03873548750000 -0.03006628870000 -0.48959268100000 -0.95596862870000 5.32005562880000 -5.14046995770000
0.35372996300000 -0.21791746630000 0.10381421650000 -0.02101652920000 0.00789721580000 -0.04683792510000 0.06684729030000 -0.09845752770000 0.39540292540000 0.62117171950000 4.61502019210000 -9.68255168620000 5.21853071090000
0.23978644890000 -0.20465967010000 0.10664539830000 -0.02203169380000 0.00741479490000 -0.04707888920000 0.07076870750000 -0.05186273590000 -0.60058168900000 -3.00858986710000 -1.008346698200e1 9.86986687160000 -3.94041937010000
0.06079394280000 0.12671444230000 -0.08838997020000 0.01943234190000 -0.00553080300000 0.03885190630000 -0.05901319410000 -0.03697957810000 1.80164701710000 8.59675120890000 11.66613737980000 -7.38690072660000 2.70776647750000
0.06907531070000 0.56830943000000 -0.52533018850000 0.13143261220000 -0.05199664710000 0.32905890950000 -0.52727455290000 1.11119918480000 -6.41414960360000 -1.144417856760e1 -9.25066327510000 4.77918040590000 -1.75994720100000
0.03871366420000 0.32425088060000 -0.41707852420000 0.11210791810000 -0.03305309320000 0.25757390250000 -0.45490408310000 -0.09933155780000 11.07519469420000 9.40321366070000 5.93411949290000 -2.86570076210000 1.07568553840000
0.00619278510000 0.08361793430000 0.49704839980000 -0.17917391670000 0.05013556500000 -0.77244014060000 2.20906360650000 -4.04848535570000 -1.133214091560e1 -5.80977862830000 -3.35774733220000 1.60932025740000 -0.61177670680000
0.00564226470000 0.09820657530000 0.71062550560000 -0.38319835970000 0.18348791540000 -0.73770083310000 -0.84729937180000 7.14526255170000 8.18374021240000 3.05082915080000 1.72965146080000 -0.83695023810000 0.32011638610000
0.00072675200000 0.01336443160000 0.12546714240000 -0.16877471120000 -0.00118789670000 1.26166237300000 -2.44417374330000 -6.74979726840000 -4.65278179410000 -1.43665979480000 -0.81451363980000 0.39802551970000 -0.15262967590000
0.00004800450000 0.00060824910000 -0.00505169780000 0.74079030030000 -0.20403882410000 0.99963311670000 3.75259475010000 4.37832703040000 2.21603857830000 0.61369318030000 0.34896636810000 -0.17158352600000 0.06586266460000
-0.00002133080000 -0.00027558490000 0.00179021950000 0.52045236760000 -1.01451167180000 -2.16165291660000 -2.77716190990000 -2.15218081340000 -0.91250087420000 -0.23774092760000 -0.13556584860000 0.06685218380000 -0.02567120300000
0.00000660390000 0.00008732160000 -0.00045177270000 -0.00577852090000 1.61600456450000 1.00185213630000 1.01763461810000 0.67695626630000 0.26788142010000 0.06823971210000 0.03898353910000 -0.01924488740000 0.00739102940000
* p-type functions
15 12
24061.38505400
4751.17170270
1290.72298770
439.54376567
174.26671186
75.94113080
34.80768702
16.23123440
7.50730730
3.37493552
1.44837182
0.58248293
0.21477317
0.07059974
0.02320738
0.00018903530000 -0.00007464390000 0.00001550620000 -0.00002560350000 0.00005261840000 -0.00006672730000 0.00004401950000 -0.00006091070000 0.00029056510000 -0.00028250540000 0.00205583010000 -0.00058974810000
0.00120606230000 -0.00047632330000 0.00009905500000 -0.00016602840000 0.00033587590000 -0.00044111500000 0.00038685320000 -0.00056872050000 0.00122629560000 0.00721613760000 -0.00685057110000 0.04612499090000
0.00700379350000 -0.00278799740000 0.00057952660000 -0.00095190180000 0.00196628740000 -0.00246201480000 0.00143384740000 -0.00192281670000 0.01240179200000 -0.02648813640000 0.11734931700000 -0.02056691230000
0.03052362440000 -0.01226774730000 0.00255755420000 -0.00429835520000 0.00866959820000 -0.01152864940000 0.01065227870000 -0.01588193910000 0.03028067010000 0.23422660290000 -0.20997975040000 2.12768076080000
0.10090544850000 -0.04186065840000 0.00874437060000 -0.01428153750000 0.02965774140000 -0.03699026950000 0.01907678680000 -0.02492044580000 0.22284413150000 -0.57644986530000 2.70050076060000 -3.57774496930000
0.24109193420000 -0.10408479500000 0.02191267930000 -0.03708304240000 0.07420324690000 -0.10061509900000 0.10247814760000 -0.15742568140000 0.27381714100000 3.27228944170000 -4.62978788000000 3.47140619950000
0.39022187660000 -0.18038003970000 0.03820988510000 -0.06199201350000 0.13339681490000 -0.16399593730000 0.04945669320000 -0.05290097190000 1.31708488330000 -6.23703927630000 4.22189717750000 -2.60637155340000
0.32653891620000 -0.12631045240000 0.02608502930000 -0.05429369750000 0.12696660710000 -0.25273286860000 0.46599354380000 -0.68980851110000 -4.27394515430000 6.51564730730000 -2.79781763220000 1.68187639420000
0.08820587100000 0.21803906320000 -0.05765359070000 0.12306888460000 -0.35458176980000 1.01862746750000 -1.78214120150000 3.05094881750000 4.83951515020000 -4.75053614800000 1.57008790400000 -0.97306308940000
0.00843428470000 0.53446604740000 -0.13966375700000 0.26058243390000 -0.71783937450000 0.19361323430000 1.95349784180000 -4.62384341000000 -3.36870067920000 2.75930767380000 -0.80247514280000 0.51332059130000
0.00335254580000 0.36573108610000 -0.11849756640000 0.14276166430000 0.80004515020000 -2.06707868640000 -0.71380368290000 4.28631503380000 1.82600881330000 -1.38087942450000 0.38207485890000 -0.24893535580000
0.00030479110000 0.04571082820000 0.13953702740000 -0.69231048900000 0.83897400900000 2.26460500600000 -0.63158763140000 -3.06605566090000 -0.86266009470000 0.62366480550000 -0.16962286310000 0.11154110250000
0.00002917700000 0.00107547710000 0.60866756800000 -0.46742032210000 -1.39393191700000 -1.14658274010000 1.39593928070000 1.95371591000000 0.37879201170000 -0.26098672230000 0.07014801400000 -0.04636286270000
-0.00001075390000 -0.00005233610000 0.41099576570000 0.91207338750000 0.58703382570000 -0.04547805420000 -1.69719657220000 -1.25919758550000 -0.16791359700000 0.10427303210000 -0.02741672070000 0.01817550900000
0.00000334430000 0.00005563550000 0.00233824830000 0.12629981590000 0.25302445010000 0.53022464920000 1.28738781060000 0.68015176970000 0.06581562050000 -0.03435224340000 0.00867785290000 -0.00576562890000
* d-type functions
9 9
289.25917431
85.47445128
32.18185860
13.56320086
5.95382986
2.61144143
1.10190466
0.42071215
0.16062979
0.00186979040000 -0.00213143760000 0.00211580560000 -0.00304792740000 0.00377314480000 -0.00472192910000 0.04173719130000 -0.06611334850000 1.28465870660000
0.01531599010000 -0.01778746050000 0.01779920890000 -0.02735333490000 0.03726220370000 -0.05774346320000 0.01374002830000 1.63106410830000 -1.11520163540000
0.06556604450000 -0.07698386790000 0.07746705690000 -0.11469562340000 0.15153980510000 -0.21815608870000 1.70513371050000 -2.06549480280000 0.82922646940000
0.18289737200000 -0.22845545560000 0.23898084700000 -0.42176419710000 0.64168378680000 -1.03004714710000 -2.73403018620000 1.68826430790000 -0.57112040410000
0.32304313160000 -0.33455127000000 0.29999049010000 -0.15569377810000 -0.58288130750000 2.61463441870000 2.37737159960000 -1.10724212490000 0.35523876080000
0.37073916020000 -0.04804135950000 -0.21768350580000 0.95499637380000 -0.78001683160000 -2.91090630810000 -1.50120832880000 0.61588317590000 -0.19482063150000
0.27997248210000 0.39501029360000 -0.61947521150000 -0.23270362660000 1.76496103450000 2.10738012860000 0.75451952030000 -0.29158091310000 0.09205023480000
0.08741266410000 0.43084472430000 0.24098572980000 -0.96537019500000 -1.69787667560000 -1.15945226670000 -0.31957623500000 0.12046255610000 -0.03807802530000
0.00153538040000 0.23893281030000 0.71209999230000 0.91294522120000 0.88862557160000 0.45070292060000 0.10500789980000 -0.03943560050000 0.01248200900000
* f-type functions
6 6
12.17685795
6.29216086
3.09453394
1.40596125
0.60658606
0.23061999
0.14041986260000 -0.21670583890000 0.37574126830000 -0.50517805470000 0.62797785140000 -1.88512976630000
0.20240033690000 -0.26828825460000 0.31596448680000 -0.16696358240000 0.04963444920000 3.42158963750000
0.43550594930000 -0.25427633540000 -0.08239459660000 0.71614454100000 -1.55689912310000 -2.96783342860000
0.33864294580000 0.24117650610000 -0.73504872920000 0.10841936300000 2.15207569920000 1.71561968060000
0.15720211570000 0.52986400580000 0.25192567230000 -1.07190814050000 -1.63182183510000 -0.75035164740000
0.02476085420000 0.30223660260000 0.61538419730000 0.95755114950000 0.72445577710000 0.22162966410000
* g-type functions
4 4
7.97226044
3.57479611
1.40799577
0.46387418
0.22381758000000 -0.45614882710000 0.64933750920000 -1.13859995710000
0.45687753630000 -0.31232845200000 -0.10481233390000 1.62390793000000
0.45811236930000 0.31000343230000 -0.78671524140000 -1.11642309220000
0.19163220900000 0.65407268080000 0.82878491650000 0.43031523190000
/As.ANO-R.Zobel.21s15p9d6f4g.14s12p9d6f4g.
J.P. Zobel, P.-O. Widmark, V. Veryazov. J. Chem. Theory Comput. 16 (2020) 278-294. doi:10.1021/acs.jctc.9b00873
ARSENIC (21s,15p,9d,6f,4g) -> [14s,12p,9d,6f,4g]
33.0 4
* s-type functions
21 14
27099775.34900000
4107859.63910000
806204.70445000
194826.70202000
55578.47488300
18072.30054100
6508.74299120
2536.55093710
1049.83116960
454.56479780
203.40889373
93.10864724
43.19929606
20.13479569
9.33766167
4.26116118
1.88782218
0.79849164
0.31579117
0.11379650
0.04100698
0.00005589030000 -0.00002367410000 0.00001006070000 -0.00000208470000 0.00000075860000 -0.00000417890000 0.00000615650000 -0.00000746320000 0.00001003540000 -0.00002047830000 0.00003509130000 -0.00022708840000 0.00013476980000 -0.00142497850000
0.00018171390000 -0.00007699840000 0.00003272610000 -0.00000678110000 0.00000246540000 -0.00001358600000 0.00002001930000 -0.00002418060000 0.00003135880000 -0.00007325530000 0.00009304700000 0.00076528540000 0.00037061450000 0.00542159860000
0.00054901600000 -0.00023278550000 0.00009896930000 -0.00002051150000 0.00000747240000 -0.00004114450000 0.00006060270000 -0.00007379880000 0.00010358730000 -0.00017686040000 0.00042299390000 -0.00235515010000 0.00293941690000 -0.03433413190000
0.00151197030000 -0.00064219370000 0.00027319550000 -0.00005661580000 0.00002053860000 -0.00011328470000 0.00016702450000 -0.00019988760000 0.00023480310000 -0.00074866670000 0.00035390460000 0.00331863580000 -0.00780015470000 0.14366628910000
0.00406155220000 -0.00172934670000 0.00073657930000 -0.00015278290000 0.00005586980000 -0.00030721570000 0.00045211280000 -0.00055961560000 0.00090065780000 -0.00068154120000 0.00513774840000 -0.00513346350000 0.06022428290000 -0.52266108420000
0.01071996570000 -0.00459179190000 0.00195973620000 -0.00040636210000 0.00014659860000 -0.00081041010000 0.00119691950000 -0.00139683540000 0.00117553240000 -0.00789996900000 -0.00515490740000 -0.01817475670000 -0.09448338450000 1.67502241560000
0.02769629430000 -0.01198168180000 0.00513770960000 -0.00106847020000 0.00039351100000 -0.00215897910000 0.00317193990000 -0.00405264820000 0.00807009920000 0.00371566760000 0.06202545620000 0.11671641910000 0.38370361160000 -3.76734572420000
0.06833502380000 -0.03030460670000 0.01310999570000 -0.00272787640000 0.00097582910000 -0.00541477870000 0.00802435720000 -0.00899656830000 0.00260566630000 -0.07917832580000 -0.11265570860000 -0.45814987120000 -0.35966749110000 7.87757648800000
0.15288111380000 -0.07122361930000 0.03144953770000 -0.00660482810000 0.00245651130000 -0.01345163850000 0.01973872560000 -0.02635770950000 0.06543479150000 0.09388607610000 0.60915529230000 1.84509549810000 3.54201552930000 -1.111635897580e1
0.27959084610000 -0.14608002240000 0.06710597910000 -0.01420707530000 0.00501477510000 -0.02805309550000 0.04190914270000 -0.04413438230000 -0.02946526550000 -0.64525264710000 -1.15900679220000 -6.93154370520000 -6.63329007540000 11.18228853490000
0.33959430480000 -0.22306306660000 0.11070725350000 -0.02415425250000 0.00922342210000 -0.05039412330000 0.07397480260000 -0.11041326970000 0.39465364260000 1.01518725300000 4.95668446030000 12.32952669320000 5.98007659810000 -9.21497756210000
0.18630165300000 -0.16037062410000 0.08659668780000 -0.01915975160000 0.00589228350000 -0.03521174180000 0.05567701950000 -0.01946060260000 -0.59782179440000 -3.60728617990000 -1.119449112630e1 -1.292018344200e1 -3.99170928370000 6.79798916660000
0.04960619990000 0.21738203540000 -0.15744255980000 0.03772294490000 -0.01116184130000 0.06869987260000 -0.10644794970000 -0.00562540950000 1.55034948190000 9.85760915520000 13.42239021890000 9.94582518070000 2.52933171180000 -4.68462085220000
0.06622686500000 0.56441193010000 -0.56258751370000 0.15447274160000 -0.06273448780000 0.37337472190000 -0.64033852790000 1.37417435940000 -6.17614501330000 -1.367596677440e1 -1.088747465600e1 -6.52485498160000 -1.60966620000000 3.05776300450000
0.02912100430000 0.25862572120000 -0.31870891630000 0.08928499470000 -0.02003218010000 0.13513575980000 -0.17906199330000 -0.97274786200000 11.71031953760000 11.86585498710000 7.08831558570000 3.93140544350000 0.99223871860000 -1.88417500000000
0.00553357940000 0.08658799950000 0.56621826740000 -0.21967612780000 0.05678393560000 -0.80203420340000 2.32040147120000 -3.20899468440000 -1.295272490370e1 -7.69095725430000 -4.06595341530000 -2.21908213870000 -0.57346371150000 1.08446906760000
0.00439319700000 0.09039642650000 0.66334982560000 -0.42983616370000 0.22056283950000 -0.69245355870000 -1.37343933480000 7.12176785500000 10.01444594340000 4.18580053930000 2.12681518710000 1.16615395840000 0.30566519140000 -0.57652777360000
0.00056037600000 0.01036649320000 0.09421956550000 -0.08883646970000 -0.06307330650000 1.43879977240000 -2.14928147870000 -7.44416559590000 -6.03968035070000 -2.02642617340000 -1.02007055910000 -0.56395577920000 -0.14887078510000 0.28046203410000
0.00000607950000 0.00058328710000 -0.00166646900000 0.78789958910000 -0.20366967100000 0.87476225980000 3.92668156050000 5.18670755860000 3.02229941500000 0.88646095730000 0.44593616160000 0.24805976810000 0.06569161380000 -0.12370407270000
-0.00000380330000 -0.00025086390000 0.00060869290000 0.45006468370000 -1.03022251350000 -2.29268275140000 -3.07349989190000 -2.66193783290000 -1.28227552960000 -0.34759694460000 -0.17511825810000 -0.09771390440000 -0.02591145660000 0.04878594600000
0.00000140380000 0.00007868190000 -0.00009761080000 -0.00270678850000 1.65627040670000 1.10788170970000 1.14131133660000 0.83960343990000 0.37419165820000 0.09828732470000 0.04960072040000 0.02770896420000 0.00735134840000 -0.01384017600000
* p-type functions
15 12
26893.77134700
5244.49782080
1415.21498130
480.32009375
190.09746077
82.73945419
37.88615436
17.66000249
8.17910381
3.69505557
1.60342358
0.65825767
0.25116093
0.08702943
0.03015645
0.00018777860000 -0.00007564000000 0.00001743520000 -0.00002589100000 0.00005519700000 -0.00006656060000 0.00005116330000 -0.00006798230000 0.00027869810000 -0.00170534810000 0.00038146810000 -0.00055412200000
0.00118566920000 -0.00047770890000 0.00011024190000 -0.00016575920000 0.00034901490000 -0.00043015870000 0.00039437190000 -0.00057449970000 0.00146314350000 0.00389739610000 0.04189286890000 0.02894588490000
0.00683518410000 -0.00277578090000 0.00064026070000 -0.00094638160000 0.00202627520000 -0.00242262410000 0.00172938920000 -0.00219176300000 0.01125040640000 -0.09219762320000 0.00002742540000 -1.75908444090000
0.02975616720000 -0.01219787190000 0.00282260740000 -0.00425572560000 0.00893944330000 -0.01113099520000 0.01064753990000 -0.01581803270000 0.03770605990000 0.13526606360000 2.09369773760000 2.59605941270000
0.09874067960000 -0.04177246500000 0.00968691900000 -0.01425381320000 0.03066035620000 -0.03666573140000 0.02477710770000 -0.02999367820000 0.19919201940000 -2.47031542840000 -3.52055956550000 -2.55591542690000
0.23791887780000 -0.10473614530000 0.02449562140000 -0.03718145640000 0.07768880810000 -0.09816136560000 0.10118568940000 -0.15565696610000 0.38833652660000 3.69095921160000 3.40356135490000 2.13074259590000
0.38919314090000 -0.18349316660000 0.04319859860000 -0.06330958060000 0.14103653860000 -0.16938472260000 0.09294667260000 -0.09985510010000 1.09613504620000 -2.57380967350000 -2.55072980260000 -1.58234611800000
0.32976457250000 -0.13102758010000 0.03003126170000 -0.05460302720000 0.13435116700000 -0.23140268430000 0.35612311640000 -0.60031548690000 -4.10042167200000 1.10736819050000 1.65206943140000 1.05546087570000
0.09126252860000 0.21605998460000 -0.06463118670000 0.12535873690000 -0.39286746510000 0.99002364150000 -1.64921373840000 3.03648130570000 4.87257239870000 -0.33463646320000 -0.96734743370000 -0.63526826950000
0.00965296140000 0.53873030900000 -0.15913368480000 0.26265691960000 -0.71814965590000 0.20451526370000 1.81366531170000 -4.78358826370000 -3.55034924280000 0.07880794940000 0.52138750970000 0.34813634350000
0.00396319680000 0.36363063400000 -0.13398545360000 0.13968096760000 0.86182298550000 -2.12085966460000 -0.52085616940000 4.58183803720000 2.01118002160000 -0.01675117130000 -0.26073548180000 -0.17549917750000
0.00034069010000 0.04252957780000 0.17942922910000 -0.70884995550000 0.81446823670000 2.37650790260000 -0.90685481480000 -3.37758757110000 -0.98433341740000 0.00353812550000 0.12136860290000 0.08196687330000
0.00003709070000 0.00167499300000 0.62976721530000 -0.44139507060000 -1.44279766990000 -1.19855639860000 1.70750453300000 2.19310447710000 0.43677245910000 -0.00030675660000 -0.05256094440000 -0.03554898370000
-0.00001494810000 -0.00035408440000 0.35668491510000 0.94219594230000 0.60292687810000 -0.11603468260000 -1.94340549740000 -1.38490719970000 -0.18287619500000 -0.00062291420000 0.02123677610000 0.01437992360000
0.00000459230000 0.00014692590000 -0.00059340280000 0.13492647860000 0.26799300230000 0.60521871730000 1.35987587130000 0.69458264390000 0.06127717550000 0.00057859670000 -0.00670785940000 -0.00454898930000
* d-type functions
9 9
330.92660282
97.66656307
36.89539358
15.61754941
6.90246409
3.06400650
1.31551900
0.51075451
0.19830209
0.00172162100000 -0.00143953380000 0.00232570850000 -0.00263161880000 0.00371126410000 -0.00351423410000 0.03997439150000 -0.06455271360000 1.28513674810000
0.01427770350000 -0.01221182260000 0.01986955650000 -0.02366333100000 0.03853361900000 -0.06086113140000 0.03024013100000 1.63844872440000 -1.12372055650000
0.06212152020000 -0.05326705450000 0.08733007540000 -0.10120410340000 0.15294895320000 -0.17784380910000 1.71005938470000 -2.11272259390000 0.84885827910000
0.17714369430000 -0.16209177670000 0.27518925350000 -0.37314060140000 0.69199909130000 -1.12668782840000 -2.75262500390000 1.76342084580000 -0.59480086350000
0.32091939760000 -0.25452419800000 0.38228844360000 -0.22924788870000 -0.55469984770000 2.76293723110000 2.40537847480000 -1.18065535220000 0.37756381390000
0.37497340990000 -0.09433612460000 -0.16768716660000 0.89853050920000 -0.92577489130000 -3.08088227220000 -1.52934313550000 0.66945536140000 -0.21156663910000
0.28039817000000 0.22205735730000 -0.71084290600000 -0.03692309460000 1.86814328550000 2.23340210190000 0.77048277770000 -0.32058380110000 0.10142584630000
0.08235732750000 0.46576028830000 0.08483931900000 -1.16223305460000 -1.67011232800000 -1.21721418750000 -0.32493564190000 0.13239777000000 -0.04207837000000
0.00139570290000 0.42216750690000 0.66670756440000 0.98563102440000 0.82731863630000 0.46611240970000 0.10609217950000 -0.04306837820000 0.01374184990000
* f-type functions
6 6
13.34380780
6.90921005
3.40357047
1.55222235
0.67754877
0.26530413
0.14855339620000 -0.17023039400000 0.37767896010000 -0.43681189090000 0.66851905130000 -1.90528732480000
0.21144350040000 -0.21457774430000 0.33767462230000 -0.19810694870000 0.09791222030000 3.45284625040000
0.43985261860000 -0.23540201500000 -0.00530082460000 0.56870655600000 -1.67535932970000 -2.99766919710000
0.31585171180000 0.10539046680000 -0.77991106770000 0.38526159930000 2.19123853960000 1.75283048680000
0.15487629020000 0.54432645370000 0.10193442960000 -1.30652904280000 -1.56787457910000 -0.78901626950000
0.03912830940000 0.41843755390000 0.60843256580000 1.01940155130000 0.65675164760000 0.24108410390000
* g-type functions
4 4
8.66641672
3.86598727
1.51387474
0.51115782
0.21638214570000 -0.42612615210000 0.68456858510000 -1.12197420980000
0.41487334270000 -0.35724412010000 -0.11067898430000 1.61378084370000
0.45887360400000 0.20336947070000 -0.82085906710000 -1.12647692140000
0.27282263120000 0.69406187940000 0.77714429400000 0.45258190860000
/Se.ANO-R.Zobel.21s15p9d6f4g.14s12p9d6f4g.
J.P. Zobel, P.-O. Widmark, V. Veryazov. J. Chem. Theory Comput. 16 (2020) 278-294. doi:10.1021/acs.jctc.9b00873
SELENIUM (21s,15p,9d,6f,4g) -> [14s,12p,9d,6f,4g]
34.0 4
* s-type functions
21 14
28322299.72200000
4332445.23810000
858036.35682000
209024.04078000
60009.83666600
19600.54819700
7077.53217180
2761.05413540
1142.66607440
494.47806611
221.18052174
101.28941026
47.08663057
22.03427659
10.28418259
4.73545391
2.12213103
0.90979804
0.36514672
0.13352675
0.04882802
0.00005953590000 -0.00002374270000 0.00001047390000 -0.00000235190000 0.00000085860000 -0.00000440200000 0.00000677910000 -0.00000783920000 0.00001079150000 -0.00002280430000 0.00003737960000 -0.00020921740000 0.00081793010000 -0.00451428210000
0.00019305280000 -0.00007701820000 0.00003397990000 -0.00000763000000 0.00000278280000 -0.00001427150000 0.00002199030000 -0.00002537610000 0.00003336960000 -0.00008044250000 0.00009565590000 0.00118425880000 -0.00578572320000 0.02232570990000
0.00057542400000 -0.00022972580000 0.00010138020000 -0.00002276920000 0.00000832270000 -0.00004265230000 0.00006564220000 -0.00007610600000 0.00011049730000 -0.00019732580000 0.00044463690000 -0.00415831920000 0.01202091190000 -0.07621210170000
0.00156257780000 -0.00062497070000 0.00027595790000 -0.00006197140000 0.00002254710000 -0.00011572940000 0.00017858440000 -0.00020499060000 0.00023783350000 -0.00078345630000 0.00033647960000 0.01334260770000 -0.03463097020000 0.18201208380000
0.00413937680000 -0.00166004010000 0.00073377370000 -0.00016493570000 0.00006054200000 -0.00030989370000 0.00047578000000 -0.00055702670000 0.00095731520000 -0.00083081100000 0.00523442520000 -0.03884838570000 0.07761605410000 -0.55252479780000
0.01079261870000 -0.00435535660000 0.00192863970000 -0.00043332230000 0.00015667310000 -0.00080581520000 0.00124857580000 -0.00141230360000 0.00104812640000 -0.00784942520000 -0.00536697410000 0.09755190780000 -0.20644053110000 1.21739061010000
0.02763206740000 -0.01126814800000 0.00500982740000 -0.00112894960000 0.00041773310000 -0.00213401050000 0.00326106080000 -0.00389389970000 0.00866979680000 0.00220557070000 0.06129941760000 -0.33323305230000 0.11581794940000 -2.53188967010000
0.06782629300000 -0.02837250420000 0.01271127310000 -0.00286477310000 0.00102595400000 -0.00529493590000 0.00826272200000 -0.00913346110000 0.00064085830000 -0.07620731140000 -0.11263773350000 0.82887070040000 -0.13253884640000 0.40680952800000
0.15174503750000 -0.06678401800000 0.03044798400000 -0.00692440900000 0.00259055450000 -0.01321356280000 0.02008650420000 -0.02468388910000 0.07149644680000 0.07858469740000 0.58890797850000 -2.56186119800000 -3.11302550390000 3.21686452000000
0.27935811250000 -0.13815122110000 0.06516936150000 -0.01492057650000 0.00526381840000 -0.02737129880000 0.04331514770000 -0.04631422150000 -0.04780332070000 -0.61215664110000 -1.08744051600000 7.87890968470000 5.91247934500000 -4.72364898610000
0.34523004800000 -0.21521677230000 0.10856886880000 -0.02558625270000 0.00985552500000 -0.05021556270000 0.07560219730000 -0.10031095430000 0.44771205070000 0.89819535570000 4.86735993980000 -1.321001715020e1 -4.89761758550000 4.36874640250000
0.19585218820000 -0.16155277270000 0.08819406870000 -0.02102543220000 0.00638728570000 -0.03520373930000 0.06212726660000 -0.04377421180000 -0.73061338000000 -3.43502840020000 -1.124193211300e1 13.71463754010000 2.91486888850000 -3.34871421570000
0.04567673020000 0.20659630240000 -0.14698547420000 0.03771922150000 -0.01068227650000 0.06114423420000 -0.10833614560000 0.03715544610000 1.87661189250000 9.79040753170000 13.75367055190000 -1.068159164740e1 -1.72148305300000 2.32800454100000
0.05224558640000 0.56828961080000 -0.55214076740000 0.16210389970000 -0.06703340470000 0.37104490660000 -0.65066325880000 1.23462406610000 -6.79836766400000 -1.376549255070e1 -1.140313807680e1 7.14632655600000 1.09121665280000 -1.52347541480000
0.02405230700000 0.27482855100000 -0.34143294980000 0.10277459060000 -0.02247572730000 0.14287195330000 -0.24655763600000 -0.61263658760000 12.53555363940000 12.01884114550000 7.56471456090000 -4.39133548000000 -0.68854083730000 0.94403167410000
0.00361270380000 0.08089725910000 0.54462994250000 -0.22187497460000 0.05245185180000 -0.73878343290000 2.45554317640000 -3.80571972900000 -1.372100805510e1 -7.81172114220000 -4.39341931040000 2.51915365530000 0.40771317130000 -0.54806428230000
0.00222139310000 0.08535514180000 0.68519500570000 -0.47214668510000 0.25034861720000 -0.81719167170000 -1.39109952570000 7.81254661170000 10.52758640950000 4.24966028490000 2.31365587880000 -1.33943162120000 -0.22124101880000 0.29387637700000
0.00033502980000 0.01033177600000 0.10358134080000 -0.08107993290000 -0.08578194640000 1.48595044610000 -2.29560088970000 -8.03199426740000 -6.29007428960000 -2.05033034500000 -1.11211035280000 0.65203121910000 0.10887236080000 -0.14375917630000
-0.00000984570000 0.00061569030000 -0.00162888860000 0.80934522910000 -0.19809245490000 0.95066070310000 4.08683538620000 5.56301040980000 3.11226943100000 0.89132418860000 0.48506470590000 -0.28706569860000 -0.04818260940000 0.06345254960000
0.00000322030000 -0.00024417960000 0.00079474680000 0.43429058840000 -1.04945167720000 -2.41964320230000 -3.15188575420000 -2.84120744860000 -1.30530144600000 -0.34658919390000 -0.18933082960000 0.11261892160000 0.01894636050000 -0.02492241560000
-0.00000078030000 0.00007592150000 -0.00012989910000 -0.00088065600000 1.67404870880000 1.16941574970000 1.16032717640000 0.89047484350000 0.37713905610000 0.09716201460000 0.05321254470000 -0.03171436100000 -0.00534012140000 0.00702143660000
* p-type functions
15 12
28991.11815800
5579.88363340
1500.16251150
508.90998566
201.29372541
87.45237662
39.93971814
18.58032288
8.60851154
3.90515418
1.70881871
0.70961794
0.27382027
0.09534236
0.03319756
0.00019470950000 -0.00007938070000 0.00001978370000 -0.00002501330000 0.00005730220000 -0.00007437150000 0.00005383410000 -0.00007214870000 0.00029802240000 -0.00011613240000 0.00211211210000 -0.00067827170000
0.00122522750000 -0.00049959870000 0.00012461790000 -0.00015976290000 0.00035947330000 -0.00047362700000 0.00040032970000 -0.00055322580000 0.00094171710000 0.00664590270000 -0.00706195590000 0.04655536940000
0.00699156250000 -0.00287461230000 0.00071704930000 -0.00090170130000 0.00207975050000 -0.00268199870000 0.00181551010000 -0.00239350590000 0.01310790350000 -0.01873298500000 0.12260970180000 -0.01084729450000
0.03026266130000 -0.01255890650000 0.00314135760000 -0.00404210070000 0.00905932860000 -0.01204411780000 0.01062907080000 -0.01484193630000 0.01964819240000 0.21694652630000 -0.22300107350000 2.10382085780000
0.10030013090000 -0.04299548930000 0.01078671200000 -0.01350315800000 0.03135589570000 -0.04051492550000 0.02625925780000 -0.03428403580000 0.23955580760000 -0.41800342490000 2.70844885020000 -3.53391907600000
0.24183895170000 -0.10791383520000 0.02729105710000 -0.03541761110000 0.07881403360000 -0.10601786720000 0.10021377150000 -0.14167265450000 0.14111235160000 3.01838647130000 -4.74123949210000 3.42692365700000
0.39317343240000 -0.18821939240000 0.04799928050000 -0.05963119640000 0.14509066460000 -0.19197319700000 0.10751654130000 -0.14030067780000 1.54365598720000 -5.94010885210000 4.48897968350000 -2.58710506820000
0.32510340640000 -0.12661125190000 0.03100058870000 -0.04824455190000 0.11899405440000 -0.21437121820000 0.30709464220000 -0.46345571450000 -4.61961243960000 6.25804819830000 -3.12463060220000 1.69591066380000
0.08615050200000 0.23214610550000 -0.07522562690000 0.12583041470000 -0.40826782020000 1.09373151540000 -1.68860524940000 2.84173475660000 5.40043106650000 -4.65265046770000 1.85125416610000 -1.00906268310000
0.00903779650000 0.54690956060000 -0.17836905400000 0.23217851220000 -0.67451010000000 0.06664321100000 2.11166361360000 -4.70387920730000 -3.99524381110000 2.80782932650000 -0.99924767260000 0.55360789310000
0.00332683480000 0.34553700740000 -0.13767134190000 0.14450407130000 0.83393806440000 -2.12855646530000 -0.98848264750000 4.66194722280000 2.30392124220000 -1.47618586860000 0.50161417510000 -0.28111437750000
0.00028647200000 0.03383496770000 0.24266009950000 -0.70278325070000 0.86796716360000 2.52479440990000 -0.50272385440000 -3.52054518610000 -1.13991160390000 0.70062494370000 -0.23388110920000 0.13189463500000
0.00000967250000 0.00227387920000 0.63941614760000 -0.41385840240000 -1.51327513930000 -1.39557656760000 1.47204825020000 2.33188550190000 0.50554530160000 -0.30539847530000 0.10067775620000 -0.05697056170000
-0.00000513410000 -0.00070654560000 0.29761024410000 0.99005075720000 0.64240877410000 0.07054574590000 -1.86720792650000 -1.51803087890000 -0.20956796350000 0.12467536850000 -0.04026962580000 0.02282950010000
0.00000133520000 0.00024930890000 -0.00325892510000 0.11658119690000 0.24309652840000 0.48349216960000 1.37580315880000 0.79122327290000 0.06950128740000 -0.04054224600000 0.01267022140000 -0.00719083760000
* d-type functions
9 9
374.50822104
110.39221665
41.81342281
17.76126433
7.89287378
3.53767870
1.54062070
0.60666381
0.23889136
0.00160549100000 -0.00104206750000 0.00229849270000 -0.00235680450000 0.00351519810000 -0.00221036650000 0.03961335540000 -0.07295631540000 1.28480874100000
0.01343865280000 -0.00894529530000 0.01991792710000 -0.02107951550000 0.03678081620000 -0.06518871720000 0.02475853360000 1.65360355130000 -1.11728472390000
0.05930841880000 -0.03929785150000 0.08823963600000 -0.09253638620000 0.14689331080000 -0.13085007190000 1.74015008520000 -2.13815147540000 0.84760050390000
0.17235523680000 -0.12182689150000 0.28511504070000 -0.33799945640000 0.67619932030000 -1.26609609710000 -2.77531643440000 1.79771275330000 -0.59974062710000
0.31908838060000 -0.20313632570000 0.41968606490000 -0.27234341790000 -0.40342849880000 2.93742505930000 2.41188261330000 -1.21659479940000 0.38648742780000
0.37858522500000 -0.11712062560000 -0.13344093740000 0.82507703080000 -1.17742431690000 -3.20450715060000 -1.52709816710000 0.69883986010000 -0.22038551300000
0.28053001030000 0.12003725340000 -0.73875632110000 0.14030871900000 2.04238065770000 2.27038996240000 0.76379444570000 -0.33764718470000 0.10696764010000
0.07855847240000 0.47215332920000 -0.01182434180000 -1.32072266480000 -1.69428703430000 -1.19663114620000 -0.31859276060000 0.13952839870000 -0.04449952330000
0.00137592280000 0.50999893400000 0.63333850830000 1.04938012870000 0.79692922310000 0.44308425780000 0.10302044250000 -0.04519292690000 0.01448309920000
* f-type functions
6 6
13.90770853
7.05245941
3.39845941
1.53405066
0.67585076
0.27225129
0.16488143490000 -0.14376960660000 0.42527809320000 -0.46855033380000 0.71403367690000 -1.76421724100000
0.24019987480000 -0.18724946670000 0.34650766510000 -0.15065313370000 -0.12268248170000 3.23251656600000
0.43927331820000 -0.23760856490000 -0.07717397410000 0.65538666810000 -1.40621189130000 -2.91462754350000
0.27117011810000 0.03546391750000 -0.78286089960000 0.18195005220000 2.12139715990000 1.82814687910000
0.16334449720000 0.56749656140000 0.11265448750000 -1.20735108550000 -1.66738955400000 -0.89088006830000
0.06433850190000 0.44433833580000 0.51900315640000 1.03716309190000 0.74734911440000 0.28755150510000
* g-type functions
4 4
8.58129833
3.62031647
1.32900733
0.48291020
0.21729314300000 -0.44426270040000 0.56109216380000 -1.09204553200000
0.36161110100000 -0.41032844650000 0.00487783090000 1.47587213240000
0.45563679340000 0.14218367600000 -0.95445238120000 -0.99049428880000
0.36276006490000 0.65431004870000 0.84416588910000 0.42014974020000
/Br.ANO-R.Zobel.21s15p9d7f5g.13s12p9d7f5g.
J.P. Zobel, P.-O. Widmark, V. Veryazov. J. Chem. Theory Comput. 16 (2020) 278-294. doi:10.1021/acs.jctc.9b00873
BROMINE (21s,15p,9d,7f,5g) -> [13s,12p,9d,7f,5g]
35.0 4
* s-type functions
21 13
30473376.47500000
4696050.24790000
935929.08376000
229095.67984000
65977.79905400
21581.86297100
7793.51540170
3037.36401730
1255.01145050
542.17467726
242.20916867
110.88370544
51.60187254
24.21519557
11.35614228
5.26455714
2.37959114
1.03040599
0.41797764
0.15442113
0.05705062
0.00006114140000 -0.00002543780000 0.00001125730000 -0.00000257650000 0.00000091350000 -0.00000450140000 0.00000742050000 -0.00000838180000 0.00001082140000 -0.00002594020000 0.00003930490000 -0.00040230170000 0.00072037660000
0.00019774660000 -0.00008230210000 0.00003642700000 -0.00000833710000 0.00000295250000 -0.00001455240000 0.00002400740000 -0.00002701490000 0.00003309000000 -0.00008997780000 0.00010028520000 0.00143740310000 -0.00199093550000
0.00058253760000 -0.00024262040000 0.00010741450000 -0.00002458990000 0.00000873070000 -0.00004300880000 0.00007083790000 -0.00008038130000 0.00011014770000 -0.00022639070000 0.00046482430000 -0.00363491390000 0.01222428730000
0.00156255930000 -0.00065193760000 0.00028881240000 -0.00006610890000 0.00002334630000 -0.00011513940000 0.00019031870000 -0.00021216130000 0.00022477630000 -0.00083062490000 0.00032068350000 0.00520266880000 -0.03479529940000
0.00408877230000 -0.00171048480000 0.00075860340000 -0.00017381890000 0.00006201960000 -0.00030525990000 0.00050114470000 -0.00057825360000 0.00095501910000 -0.00106691220000 0.00548161320000 -0.01118950110000 0.11822587670000
0.01054722480000 -0.00443860200000 0.00197257880000 -0.00045175890000 0.00015836380000 -0.00078218290000 0.00130001920000 -0.00141210460000 0.00084681130000 -0.00779715950000 -0.00618788650000 0.00148181270000 -0.23516611520000
0.02679798970000 -0.01139142380000 0.00508366580000 -0.00116798980000 0.00042072250000 -0.00206815030000 0.00337352490000 -0.00402308320000 0.00877654450000 -0.00019590570000 0.06497896090000 0.07622491200000 0.71900377380000
0.06551821560000 -0.02852448220000 0.01283647530000 -0.00294934530000 0.00102216460000 -0.00506144630000 0.00849219040000 -0.00884916170000 -0.00148403820000 -0.07269825620000 -0.12342024620000 -0.41000182230000 -0.64007802610000
0.14675074690000 -0.06703486180000 0.03072350660000 -0.00712737750000 0.00260104130000 -0.01277784890000 0.02068496640000 -0.02581836600000 0.07378205020000 0.05512984990000 0.63473072570000 1.96432982120000 3.49980321870000
0.27222452570000 -0.13878286240000 0.06597412280000 -0.01541080140000 0.00524634150000 -0.02613255290000 0.04463936850000 -0.04364744920000 -0.06468501630000 -0.57277882620000 -1.22277011670000 -7.21820421560000 -6.17579142100000
0.34254875230000 -0.21784609050000 0.11112801480000 -0.02676721880000 0.01010257660000 -0.04969377100000 0.07925379640000 -0.11060584620000 0.47784586760000 0.72600718190000 5.09020972340000 12.64705034160000 5.26397750160000
0.20133406660000 -0.17006052520000 0.09453301600000 -0.02305884370000 0.00662977120000 -0.03443220220000 0.06758128990000 -0.02672630030000 -0.83131562740000 -3.10455651540000 -1.159993000270e1 -1.330680504990e1 -3.29916206370000
0.05062720680000 0.18589130170000 -0.13771621310000 0.03624386120000 -0.00910898400000 0.04930384410000 -0.10068824320000 -0.03281214500000 2.19742334740000 9.46309246880000 14.38030455640000 10.43665754060000 2.02400018400000
0.06044743970000 0.55624906400000 -0.55305508610000 0.16778217880000 -0.06894803340000 0.36694515770000 -0.68375064260000 1.39813702690000 -7.37725903720000 -1.351293834080e1 -1.220276626600e1 -7.03766102570000 -1.30427533730000
0.02998053820000 0.28514758060000 -0.37530277600000 0.11802000300000 -0.02353001310000 0.14342424840000 -0.31213135010000 -0.76921280650000 13.28366094820000 11.82235973690000 8.27749685460000 4.36770142810000 0.83073395480000
0.00526260240000 0.08837798380000 0.51815495310000 -0.22034057630000 0.04271559970000 -0.63445797240000 2.63261348270000 -3.80289322350000 -1.451786970590e1 -7.66599809980000 -4.88483675750000 -2.53156543700000 -0.49609074150000
0.00384749790000 0.09682953080000 0.70634709500000 -0.51199913570000 0.27557973070000 -0.98554436990000 -1.48854173920000 7.99565350200000 11.21572800190000 4.15653838040000 2.59766540060000 1.35738887580000 0.27111863130000
0.00056771330000 0.01284110630000 0.11357074710000 -0.07633806850000 -0.11931513020000 1.54143286500000 -2.33389028600000 -8.30562136150000 -6.76047494620000 -1.99852553280000 -1.25437520430000 -0.66389959790000 -0.13396622190000
0.00000151890000 0.00062493110000 -0.00159874870000 0.82639794060000 -0.13865539720000 1.03054312040000 4.13399532010000 5.80062770450000 3.37027654240000 0.86492131220000 0.54703324360000 0.29235014190000 0.05928709770000
-0.00000069780000 -0.00022379260000 0.00101795640000 0.42413968250000 -1.12526082100000 -2.52068631450000 -3.14157562390000 -2.97642581770000 -1.41965332570000 -0.33434133440000 -0.21270019770000 -0.11428352610000 -0.02322793100000
0.00000059410000 0.00007465210000 -0.00016502040000 -0.00063504980000 1.71303318880000 1.20028932010000 1.13893622030000 0.92997506640000 0.40957410750000 0.09317216470000 0.05946155560000 0.03201600190000 0.00651261990000
* p-type functions
15 12
31690.30069600
6034.73707110
1614.97390930
546.69202568
215.89297661
93.63080328
42.69033144
19.84540471
9.20674026
4.19500352
1.85070478
0.77770313
0.30444898
0.10755062
0.03799368
0.00019771100000 -0.00008186040000 0.00002160510000 -0.00002740330000 0.00005901780000 -0.00007730740000 0.00005432620000 -0.00008462820000 0.00029248520000 -0.00011228260000 0.00211253400000 -0.00164502080000
0.00123293400000 -0.00051062150000 0.00013472690000 -0.00017323760000 0.00036500380000 -0.00048368180000 0.00040632940000 -0.00056980170000 0.00121996680000 0.00649797700000 -0.00813400080000 0.05260050620000
0.00697214080000 -0.00291172270000 0.00076956360000 -0.00097070160000 0.00210915150000 -0.00274888330000 0.00177952640000 -0.00291743040000 0.01214661400000 -0.01899082250000 0.12366791100000 -0.09420894150000
0.03008871930000 -0.01268293500000 0.00335510380000 -0.00433202860000 0.00908153790000 -0.01213049970000 0.01071925810000 -0.01479320590000 0.02825672720000 0.21294119340000 -0.27790533650000 2.21284778210000
0.09989740200000 -0.04350126030000 0.01157188980000 -0.01453796570000 0.03186857970000 -0.04164774560000 0.02550657940000 -0.04417305240000 0.21911392270000 -0.42962284800000 2.79034224690000 -3.55752418780000
0.24196879890000 -0.10971592800000 0.02934477870000 -0.03825297360000 0.07956911070000 -0.10735344480000 0.10251122860000 -0.13727179240000 0.26569579520000 3.01256723680000 -4.79870353640000 3.37345540620000
0.39422265690000 -0.19187130600000 0.05201491340000 -0.06485940160000 0.15031772100000 -0.20385276560000 0.10578639520000 -0.21983533180000 1.27564035580000 -6.00972188910000 4.52232468430000 -2.52879841010000
0.32463686870000 -0.12719810460000 0.03245614530000 -0.05040343520000 0.10894260320000 -0.18549042620000 0.30076627180000 -0.25421454980000 -4.39054502250000 6.50154736090000 -3.15593988410000 1.66745166230000
0.08565366930000 0.23809995130000 -0.08169768310000 0.14011055490000 -0.42650828390000 1.08877458080000 -1.70806370040000 2.62771414280000 5.40777284910000 -4.98658762010000 1.88629192310000 -1.00595048250000
0.00947795130000 0.55263938660000 -0.19670615230000 0.24861287480000 -0.64944286110000 0.05094298560000 2.20839104410000 -4.63439402650000 -4.18915670920000 3.10204218510000 -1.03176205870000 0.56147168610000
0.00338692770000 0.33591438660000 -0.13572572960000 0.14595257070000 0.88832726210000 -2.17571047820000 -1.12501847190000 4.73022146390000 2.52693845340000 -1.67625778460000 0.52576469130000 -0.28996778030000
0.00028969810000 0.02957829840000 0.28393191190000 -0.81264422710000 0.79981753490000 2.65759486100000 -0.41226676280000 -3.63076014800000 -1.31019595320000 0.81446651760000 -0.24837608220000 0.13787539960000
-0.00000046390000 0.00316559560000 0.62422386450000 -0.27579698710000 -1.57161402040000 -1.54918074100000 1.45823018580000 2.43029561890000 0.61531333660000 -0.36244472080000 0.10776290550000 -0.05998319990000
-0.00000260640000 -0.00072660800000 0.27800009300000 0.96249002830000 0.73249287570000 0.16946594810000 -1.90146697770000 -1.59396496140000 -0.27846131870000 0.15192223150000 -0.04320776850000 0.02406351660000
0.00000028640000 0.00031036520000 -0.00212331590000 0.09261694830000 0.22457285640000 0.45496921880000 1.40374583430000 0.82912913580000 0.10431385160000 -0.05129030060000 0.01357988780000 -0.00755537400000
* d-type functions
9 9
419.88439736
123.57691462
46.90144368
19.97804781
8.91788490
4.02936680
1.77522741
0.70646609
0.28114389
0.00151422210000 -0.00084772660000 0.00215919300000 -0.00210659070000 0.00340598150000 -0.00122172640000 0.03826589190000 -0.07916347210000 1.28416923070000
0.01276725420000 -0.00734204350000 0.01908662460000 -0.01906572970000 0.03663940660000 -0.06796445510000 0.03704542900000 1.66457284040000 -1.11225039900000
0.05704986010000 -0.03248958730000 0.08448255690000 -0.08424752410000 0.14512641010000 -0.09340325160000 1.74205402270000 -2.17560900690000 0.84774646200000
0.16850376100000 -0.10221709220000 0.28141548980000 -0.30813858460000 0.67958861940000 -1.36577523710000 -2.77659803980000 1.85385688170000 -0.60534027500000
0.31765766180000 -0.17904101940000 0.43040575910000 -0.30903366970000 -0.31097323340000 3.07005179800000 2.41058423670000 -1.27205072460000 0.39532331560000
0.38172096970000 -0.12667689930000 -0.10095174680000 0.73554499700000 -1.34809688330000 -3.31894423640000 -1.52521435990000 0.74075720300000 -0.22877080530000
0.28038927740000 0.06954243800000 -0.74067945900000 0.33066843380000 2.14257067860000 2.32615695650000 0.75909057690000 -0.36091528640000 0.11208301260000
0.07524296090000 0.47837998820000 -0.08890278370000 -1.46657437240000 -1.67036017130000 -1.20217831930000 -0.31365178090000 0.14917845490000 -0.04665822570000
0.00132962690000 0.54203107640000 0.64241779870000 1.10222513920000 0.74912558650000 0.43640514190000 0.10070186090000 -0.04816783250000 0.01513781160000
* f-type functions
7 7
35.55191561
15.07395676
7.60616778
3.62485320
1.64641445
0.75109844
0.31111010
0.02921673280000 -0.02690161540000 0.06514882270000 -0.08489541980000 0.10929237640000 -0.06623277290000 1.62779013940000
0.11586725430000 -0.10991734540000 0.31174368960000 -0.42947801860000 0.52605316970000 -1.63859886280000 -2.42246585300000
0.27826288060000 -0.24173226340000 0.41086925030000 -0.25999323360000 -0.04822037920000 3.09746435830000 2.08269695860000
0.37492736190000 -0.26251048350000 -0.10109329390000 0.83072953670000 -1.41516172510000 -2.89355904880000 -1.17556080990000
0.25653778700000 -0.04747172250000 -0.73040722180000 0.05851804960000 2.28627415340000 1.93389333690000 0.57491498240000
0.22483174730000 0.55277754500000 -0.03313606970000 -1.11732036470000 -1.90544717630000 -0.99491298390000 -0.25027408810000
0.13109995420000 0.45391197030000 0.59401271150000 0.96274726010000 0.86754676260000 0.32221627000000 0.07386709310000
* g-type functions
5 5
12.39503034
5.93562802
2.53816882
1.06315884
0.45259105
0.02888827080000 -0.25977351020000 0.31559869460000 -0.45141456970000 1.42729847940000
0.10125126890000 -0.44799008650000 0.29710799540000 -0.39422061020000 -1.95233113830000
0.15221377300000 -0.43918608820000 -0.15940624370000 1.39903978640000 1.32435964460000
0.49209437120000 0.11137929320000 -0.93389340280000 -1.34768118070000 -0.65472716360000
0.50703296440000 0.40408336940000 0.96761613080000 0.69465166660000 0.22960355970000
/Kr.ANO-R.Zobel.21s15p9d6f4g2h.14s12p9d6f4g2h.
J.P. Zobel, P.-O. Widmark, V. Veryazov. J. Chem. Theory Comput. 16 (2020) 278-294. doi:10.1021/acs.jctc.9b00873
KRYPTON (21s,15p,9d,6f,4g,2h) -> [14s,12p,9d,6f,4g,2h]
36.0 5
* s-type functions
21 14
32307585.85900000
5033160.10060000
1011366.19320000
248987.39575000
71965.41670800
23583.31254000
8519.90633080
3318.64303140
1369.73675870
591.02201403
263.79022262
120.73559078
56.23130062
26.44341630
12.44646685
5.80087733
2.64060684
1.15347403
0.47271889
0.17665464
0.06601569
0.00006264430000 -0.00002775070000 0.00001211200000 -0.00000280380000 0.00000096870000 -0.00000469370000 0.00000790850000 -0.00000877550000 0.00001178730000 -0.00002676120000 0.00004209230000 -0.00012305910000 0.00008607020000 -0.00767741170000
0.00020278760000 -0.00008986370000 0.00003922770000 -0.00000908060000 0.00000313320000 -0.00001518530000 0.00002562180000 -0.00002835610000 0.00003615180000 -0.00009329460000 0.00010380630000 0.00015584590000 -0.00215628120000 0.02002819570000
0.00059024210000 -0.00026173840000 0.00011429090000 -0.00002646320000 0.00000915740000 -0.00004435750000 0.00007461820000 -0.00008305940000 0.00011824450000 -0.00022989190000 0.00049170060000 -0.00138036950000 0.00490485590000 -0.07799974610000
0.00156485820000 -0.00069509440000 0.00030374520000 -0.00007032300000 0.00002418690000 -0.00011730040000 0.00019860950000 -0.00021840260000 0.00024196370000 -0.00084714890000 0.00033039400000 -0.00005112350000 -0.02243799890000 0.17716323790000
0.00404691320000 -0.00180228340000 0.00078853590000 -0.00018275240000 0.00006359620000 -0.00030777430000 0.00051464850000 -0.00057969360000 0.00099404820000 -0.00102276540000 0.00556443970000 0.00493489190000 0.03284518390000 -0.47887647250000
0.01033113340000 -0.00462688610000 0.00202921740000 -0.00047008690000 0.00016031220000 -0.00077871030000 0.00133135110000 -0.00143793160000 0.00092682490000 -0.00789790450000 -0.00600994460000 -0.03490551810000 -0.10423609820000 0.87622212730000
0.02604294740000 -0.01177567080000 0.00518774360000 -0.00120576920000 0.00042422360000 -0.00205015940000 0.00338754780000 -0.00390964280000 0.00892088400000 0.00059879450000 0.06410883450000 0.16613210530000 -0.15360595580000 -0.43367831560000
0.06336793750000 -0.02929820140000 0.01302931690000 -0.00302879480000 0.00101925840000 -0.00496427720000 0.00862577710000 -0.00905365430000 -0.00103289780000 -0.07371181370000 -0.11965073950000 -0.49077428920000 0.13517984330000 -3.45560018270000
0.14187462940000 -0.06861681520000 0.03112481730000 -0.00730787790000 0.00261016390000 -0.01260387890000 0.02051351030000 -0.02452644000000 0.07430227500000 0.06317811230000 0.61823531900000 1.89698781060000 -3.27981017280000 7.63073595580000
0.26453230910000 -0.14177870430000 0.06696442320000 -0.01583902750000 0.00522048540000 -0.02557978190000 0.04572404510000 -0.04605361090000 -0.06195922420000 -0.58626628480000 -1.17588873820000 -7.03331778370000 6.24855721350000 -8.76457861220000
0.33753353030000 -0.22310399750000 0.11376537970000 -0.02778320630000 0.01030797130000 -0.04982469240000 0.07849354110000 -0.10270764110000 0.48253497020000 0.78703107140000 5.04855018540000 12.49353961430000 -5.54213783920000 7.62011300570000
0.20408052190000 -0.17903973180000 0.10044251240000 -0.02489266700000 0.00679767090000 -0.03473133390000 0.07696848900000 -0.05009029070000 -0.82667016580000 -3.29858553840000 -1.157528396400e1 -1.327975121940e1 3.63290656740000 -5.78839017370000
0.05645545340000 0.16759607840000 -0.13008843570000 0.03489748780000 -0.00766165720000 0.04150083790000 -0.10730120970000 0.00612458930000 2.22110153900000 9.79686645860000 14.36316189720000 10.52696897440000 -2.30526991820000 4.09072651510000
0.07271999390000 0.54318682430000 -0.55523604720000 0.17262860080000 -0.07070246720000 0.36679674440000 -0.66141021680000 1.29490203700000 -7.55689212430000 -1.394789098260e1 -1.221893258360e1 -7.18154740030000 1.50608245390000 -2.74965549650000
0.03829366760000 0.29174245660000 -0.40451566030000 0.13180536040000 -0.02390021980000 0.15140143160000 -0.43239792770000 -0.51173019930000 13.63397471780000 12.29446070890000 8.33800201840000 4.50902203730000 -0.96465593830000 1.75220071150000
0.00790933590000 0.09592384870000 0.49706164370000 -0.21972257040000 0.03338979860000 -0.57480398590000 2.82030191600000 -4.22171890640000 -1.490557833050e1 -8.06901518120000 -4.96200512480000 -2.64138622880000 0.57932212190000 -1.04291446030000
0.00669674930000 0.10845429610000 0.72272502010000 -0.54767156860000 0.29969833780000 -1.12000169710000 -1.59125472230000 8.48435917800000 11.51854702890000 4.42564513220000 2.66083550810000 1.42893678680000 -0.31860197870000 0.57022610540000
0.00098960100000 0.01527050100000 0.12074788330000 -0.06902640880000 -0.15432488390000 1.62836259050000 -2.37324692380000 -8.74939454970000 -6.94738581270000 -2.14415571400000 -1.29289319120000 -0.70339197800000 0.15826238020000 -0.28239329870000
0.00002147490000 0.00067744660000 -0.00122266670000 0.83816290780000 -0.07546930180000 1.04880820620000 4.22875634250000 6.11798718580000 3.46632226830000 0.93077053020000 0.56544651920000 0.31070553350000 -0.07022708380000 0.12512962040000
-0.00000659690000 -0.00021414090000 0.00111708410000 0.41665000340000 -1.20851483160000 -2.57637976370000 -3.19409927780000 -3.14241516240000 -1.45933980010000 -0.35937161890000 -0.21959853940000 -0.12134237250000 0.02748360410000 -0.04893922480000
0.00000284030000 0.00007737910000 -0.00016474560000 -0.00004851300000 1.75569510570000 1.21482642490000 1.14480275130000 0.97667616530000 0.41903955400000 0.09964683550000 0.06108009400000 0.03382486590000 -0.00766728390000 0.01364964290000
* p-type functions
15 12
35575.85733100
6715.46822050
1784.67169930
600.93310418
236.43987514
102.33918854
46.65443994
21.72814196
10.11974319
4.63879328
2.06289148
0.87528782
0.34638443
0.12374703
0.04420905
0.00019389390000 -0.00008178790000 0.00002257010000 -0.00002936760000 0.00005896230000 -0.00007645650000 0.00005311100000 -0.00008732160000 0.00028573440000 -0.00012544860000 0.00206843630000 -0.00081531160000
0.00118989150000 -0.00050209720000 0.00013844940000 -0.00018241610000 0.00035777910000 -0.00046678600000 0.00039739310000 -0.00059941640000 0.00129184920000 0.00658230350000 -0.00779345370000 0.04920288040000
0.00668270600000 -0.00284306640000 0.00078592160000 -0.00101725330000 0.00206290340000 -0.00266703280000 0.00167641680000 -0.00289013160000 0.01142950500000 -0.02038785120000 0.12171978380000 -0.07979785200000
0.02889640300000 -0.01240552540000 0.00342952440000 -0.00453837340000 0.00885287260000 -0.01162389650000 0.01050049440000 -0.01566100580000 0.03046284310000 0.21810509420000 -0.27282521170000 2.18314205250000
0.09660333610000 -0.04281829490000 0.01191911780000 -0.01537901650000 0.03150426760000 -0.04088640120000 0.02396318950000 -0.04368398750000 0.20658997420000 -0.45752998340000 2.77989981890000 -3.51403007070000
0.23646281470000 -0.10911478460000 0.03050883460000 -0.04078689900000 0.07901445990000 -0.10457166380000 0.10318193330000 -0.15156176430000 0.30713818130000 3.06227873670000 -4.77188508020000 3.33801000490000
0.39076138260000 -0.19349051520000 0.05498750060000 -0.07042588240000 0.15242113880000 -0.20531597980000 0.09556297480000 -0.20845735360000 1.23575369200000 -6.10705663650000 4.50783992640000 -2.51241523960000
0.33045087580000 -0.13551555010000 0.03620849580000 -0.05646549690000 0.11134481320000 -0.18129614970000 0.33053717210000 -0.30830074860000 -4.39866121760000 6.66961133360000 -3.17173633160000 1.66813791650000
0.09216120220000 0.22626568140000 -0.08221500550000 0.14795089330000 -0.42643096420000 1.03076092910000 -1.70451213530000 2.79291270980000 5.48392521660000 -5.17401892370000 1.91895431280000 -1.01575491610000
0.01113532900000 0.55498414720000 -0.21099872390000 0.27345138450000 -0.64908815180000 0.17355801720000 2.09981910310000 -4.87522139590000 -4.29445273490000 3.24979617430000 -1.06303646330000 0.57268640220000
0.00421876320000 0.34276460450000 -0.14224294350000 0.15088562310000 0.90074072720000 -2.30301153280000 -0.91342744240000 4.94085584880000 2.61487612320000 -1.76848977510000 0.54750367810000 -0.29843805440000
0.00032365270000 0.03064026720000 0.30260998770000 -0.89679841900000 0.78244091070000 2.73352144820000 -0.65323069290000 -3.74687973270000 -1.36808337790000 0.86289353000000 -0.26059951870000 0.14282377990000
0.00001944260000 0.00369587850000 0.61700564250000 -0.17799436000000 -1.61622355050000 -1.56503155840000 1.65470199390000 2.46201669430000 0.64895838370000 -0.38440514600000 0.11352654880000 -0.06232620090000
-0.00001140610000 -0.00063406050000 0.27092024020000 0.93191302520000 0.78151584860000 0.13399745960000 -2.01932448620000 -1.57484275260000 -0.29718803750000 0.16080562400000 -0.04556202320000 0.02499248010000
0.00000294500000 0.00032779380000 -0.00110623480000 0.08034023980000 0.23111534570000 0.49974257160000 1.43754725700000 0.79614481930000 0.11247605680000 -0.05396812690000 0.01428832390000 -0.00781371450000
* d-type functions
9 9
466.93532700
137.23010724
52.16050766
22.26554567
9.97558561
4.53804940
2.01890985
0.81008982
0.32504944
0.00144142850000 -0.00072655830000 0.00203101560000 -0.00205347210000 0.00336891560000 -0.00034440000000 0.03766778910000 -0.08527750750000 1.28339743430000
0.01221832910000 -0.00632575920000 0.01816019470000 -0.01816219560000 0.03549630030000 -0.07230035370000 0.03711947400000 1.67450118550000 -1.10595399490000
0.05520990900000 -0.02822584220000 0.08076597270000 -0.08340037750000 0.14564154090000 -0.06142715740000 1.75532924490000 -2.19643700420000 0.84498763090000
0.16540880510000 -0.08968765310000 0.27468245750000 -0.29847862750000 0.66899942890000 -1.44708193550000 -2.79069451550000 1.88291199290000 -0.60758007040000
0.31659655690000 -0.16363531460000 0.43426058440000 -0.33870952260000 -0.24241081250000 3.17921508330000 2.42103008820000 -1.30134662470000 0.40124554810000
0.38446048680000 -0.13405121310000 -0.07181445630000 0.70796993240000 -1.46156274480000 -3.41730462990000 -1.52974611070000 0.76338400140000 -0.23508932760000
0.27990612650000 0.03768386780000 -0.74256060190000 0.41739369840000 2.22547543340000 2.37990219540000 0.75695264900000 -0.37296984680000 0.11600969850000
0.07238298230000 0.48748254680000 -0.14385318790000 -1.52675567420000 -1.69002310880000 -1.21643580380000 -0.30996662700000 0.15362822320000 -0.04826375990000
0.00128144960000 0.55527169000000 0.65650107780000 1.12063924820000 0.74345121410000 0.43725722680000 0.09902906070000 -0.04940766550000 0.01561352900000
* f-type functions
6 6
15.72228359
7.81304776
3.66402779
1.68090852
0.80169797
0.34340772
0.16048358620000 -0.17579393060000 0.39591905490000 -0.60984540710000 0.66744364850000 -1.65795214750000
0.23908723090000 -0.23866575600000 0.28991299200000 -0.11965963750000 -0.25035431230000 3.07739375960000
0.37257345150000 -0.32896493750000 -0.03949306060000 0.84743637310000 -1.25200846570000 -2.97763889670000
0.21026021390000 -0.00900918170000 -0.81313175810000 -0.03721981430000 2.38476844050000 2.15624004080000
0.29201790480000 0.56395700200000 0.03965653080000 -1.04213291580000 -2.15142259750000 -1.18167590330000
0.14093436660000 0.38066514990000 0.62279651890000 0.95038387810000 1.00306008020000 0.38264043160000
* g-type functions
4 4
9.60791646
3.88676187
1.39180210
0.57071717
0.05097963480000 -0.46373833700000 0.48452432180000 -1.09190851370000
0.07869334350000 -0.53098932870000 0.17643817420000 1.41415229170000
0.44733291710000 -0.18207741140000 -1.13287270690000 -0.91589460640000
0.63323571750000 0.48675233810000 0.92186544350000 0.43368056180000
* h-type functions
2 2
2.16575281
0.80974831
0.28536584290000 -1.09588621600000
0.83381579890000 0.76625810030000
/Rb.ANO-R.Zobel.22s15p10d6f3g.14s12p9d6f3g.
J.P. Zobel, P.-O. Widmark, V. Veryazov. J. Chem. Theory Comput. 16 (2020) 278-294. doi:10.1021/acs.jctc.9b00873
RUBIDIUM (22s,15p,10d,6f,3g) -> [14s,12p,9d,6f,3g]
37.0 4
* s-type functions
22 14
27058471.77400000
3850362.32460000
750316.13805000
185159.54971000
54387.14975200
18129.38003000
6619.38377220
2581.42463620
1057.15887590
449.76785511
197.49385410
89.11098926
41.14213498
19.31882552
9.13465821
4.28099295
1.94190798
0.82438133
0.31292751
0.10007314
0.02500102
0.00624594
0.00008312990000 -0.00003625090000 0.00001533060000 -0.00000415080000 0.00000082730000 -0.00000375060000 0.00000425940000 -0.00000511990000 0.00000572340000 -0.00001515950000 0.00003016450000 -0.00004131040000 0.00163000550000 -0.00105134110000
0.00028042490000 -0.00012233860000 0.00005175010000 -0.00001401230000 0.00000279370000 -0.00001265570000 0.00001444610000 -0.00001758570000 0.00001948230000 -0.00004898430000 0.00010821050000 -0.00010901490000 0.00227208180000 0.00767816540000
0.00081692470000 -0.00035672460000 0.00015093730000 -0.00004087290000 0.00000814340000 -0.00003695550000 0.00004167980000 -0.00004922970000 0.00005572700000 -0.00015788420000 0.00027089930000 -0.00044543860000 -0.01265207860000 -0.01744980440000
0.00216040420000 -0.00094534670000 0.00040048030000 -0.00010847520000 0.00002164620000 -0.00009784640000 0.00011331200000 -0.00014275980000 0.00015440560000 -0.00033195220000 0.00097998180000 -0.00065065620000 0.03333263170000 0.07505016850000
0.00556701260000 -0.00244433470000 0.00103642170000 -0.00028082480000 0.00005586750000 -0.00025452180000 0.00027968610000 -0.00030821230000 0.00036667270000 -0.00130022480000 0.00127020170000 -0.00503963460000 -0.04675245390000 -0.22886853740000
0.01422815280000 -0.00629112810000 0.00267829890000 -0.00072630530000 0.00014527110000 -0.00065293080000 0.00078417140000 -0.00106925430000 0.00109608140000 -0.00142498490000 0.00875237950000 0.00127838240000 0.14624867000000 0.34898334400000
0.03597603270000 -0.01611406020000 0.00688780190000 -0.00187038770000 0.00037109600000 -0.00170290220000 0.00178259330000 -0.00169295400000 0.00224667700000 -0.01122660490000 0.00146070400000 -0.04647885140000 -0.74083180540000 -0.42971213390000
0.08760154860000 -0.04041753330000 0.01752997710000 -0.00477600950000 0.00095857470000 -0.00427421010000 0.00539094240000 -0.00806284960000 0.00778654420000 -0.00230094280000 0.07705286720000 0.05419256490000 1.63190662380000 0.56413422070000
0.19094168380000 -0.09385373230000 0.04164853680000 -0.01142169230000 0.00225917070000 -0.01046739570000 0.01026707140000 -0.00752428890000 0.01222128090000 -0.08914851880000 -0.04428398730000 -0.39829212680000 -5.45596804560000 -1.38407728950000
0.32363089650000 -0.18388047010000 0.08649785010000 -0.02406562300000 0.00486410380000 -0.02139095180000 0.02933021480000 -0.04997517960000 0.04466260960000 0.04875082180000 0.61254841930000 0.35470057600000 10.34786014290000 -1.19684591730000
0.31655608130000 -0.23814165000000 0.12199570860000 -0.03479888160000 0.00679837850000 -0.03278857510000 0.02375591340000 0.01174920260000 0.01864452200000 -0.52397784780000 -0.72845475120000 -3.06713955460000 -1.226263155320e1 6.65815271360000
0.11600913310000 -0.05747684390000 0.02961472710000 -0.00856943190000 0.00216047010000 -0.00452194740000 0.04210004450000 -0.15989387430000 0.09556147930000 1.01667316460000 2.25854687230000 9.44236752980000 11.11377889470000 -9.36868824360000
0.05385551460000 0.41732208830000 -0.34756051140000 0.11384102550000 -0.02418421840000 0.09578268660000 -0.20874048520000 0.53695787190000 -0.41128322570000 -1.88625601520000 -8.19022971060000 -1.349385057710e1 -8.60789954170000 8.37449578120000
0.06045678630000 0.49675979710000 -0.59422376190000 0.21845146430000 -0.04211398210000 0.23276174310000 -0.05147363600000 -0.58652939800000 0.21101431560000 6.52916429310000 13.32502121390000 12.39813436210000 5.98289848490000 -5.95162237700000
0.01382439910000 0.13148683150000 0.01533169860000 -0.02033484410000 -0.00146646080000 -0.08392787070000 -0.38233496990000 1.88032028220000 -1.20258819110000 -1.245751849850e1 -1.255031428120e1 -8.59895164830000 -3.78544956670000 3.69969585750000
0.00708637280000 0.10243412920000 0.77477927610000 -0.45289646490000 0.11062505080000 -0.31623984190000 1.54711071200000 -5.01094764330000 4.57502531060000 13.01315333850000 8.19574742550000 4.89897566830000 2.15891460130000 -2.06764148330000
0.00284751140000 0.04981508600000 0.41361518320000 -0.50016894890000 0.09796851500000 -1.15799666150000 -0.53025655240000 6.32599324350000 -6.94648393620000 -8.64983696590000 -4.16367125300000 -2.39559714520000 -1.08570012700000 1.02719171460000
0.00022656500000 0.00185984450000 0.01489418410000 0.54733066410000 -0.11445673150000 2.61862400220000 -2.35025168490000 -4.25859697810000 6.08638457180000 4.20971820430000 1.76653704010000 1.02029539030000 0.47286393400000 -0.44498990800000
0.00002160210000 0.00128398740000 0.02063180640000 0.77855616370000 -0.37640166540000 -0.98904894660000 3.55568411580000 1.52747345500000 -3.96147389550000 -1.69681571580000 -0.65358934870000 -0.38062710750000 -0.17832617680000 0.16750230640000
0.00001206710000 -0.00004972820000 -0.00077810420000 0.05590944760000 0.00426650710000 -1.03755124410000 -2.49610549120000 0.16576120490000 2.41721026050000 0.63719458030000 0.21943194220000 0.12725380170000 0.05978910960000 -0.05613761680000
-0.00000297440000 0.00003522290000 0.00055947830000 -0.00259836150000 1.02938594960000 0.70004812780000 0.71954245970000 -1.12580490770000 -1.74503686740000 -0.27557651100000 -0.07399351890000 -0.04150751900000 -0.01942497770000 0.01824872670000
0.00000084930000 -0.00001085350000 -0.00017183440000 0.00048955240000 0.05930257500000 0.02553583810000 0.21816237090000 1.13396062350000 1.12193360190000 0.12665014760000 0.02374058600000 0.01234557730000 0.00570699240000 -0.00537033980000
* p-type functions
15 12
42777.42878000
7956.73436440
2091.70355870
699.10773097
273.78723173
118.19735076
53.82983373
25.08351736
11.71411231
5.40391357
2.43368286
1.05645994
0.43450091
0.16507092
0.06271197
0.00017595880000 -0.00007615350000 0.00002193920000 -0.00000629180000 0.00003074120000 -0.00004325990000 0.00006580940000 -0.00012103060000 0.00036256020000 -0.00015992920000 0.00544809390000 -0.02216959310000
0.00105507060000 -0.00045686540000 0.00013149410000 -0.00003891840000 0.00018793860000 -0.00023381170000 0.00022185920000 -0.00105764700000 -0.00049927330000 -0.00713818680000 -0.02247607790000 0.13553958120000
0.00586410890000 -0.00255840510000 0.00073845990000 -0.00020883620000 0.00102576520000 -0.00152340440000 0.00265826530000 -0.00325588100000 0.01883716380000 0.00390725370000 0.18146592290000 -0.36741560470000
0.02543853740000 -0.01119271170000 0.00322977620000 -0.00096538840000 0.00465400990000 -0.00556644590000 0.00413199790000 -0.02917483340000 -0.03125600690000 -0.25828415140000 -0.33804783160000 2.50002555930000
0.08640090410000 -0.03915219140000 0.01138305890000 -0.00318652760000 0.01576181570000 -0.02448903010000 0.04667372830000 -0.04471339630000 0.37924431120000 0.15670290930000 2.80231162380000 -3.80228216110000
0.21797940690000 -0.10270804710000 0.02999183830000 -0.00911212170000 0.04402533090000 -0.05025210510000 0.02176293080000 -0.34183613300000 -0.43802191170000 -2.50868764710000 -5.11602464010000 3.51465303930000
0.37858988060000 -0.19095185420000 0.05675194340000 -0.01533180050000 0.07677368780000 -0.13344492510000 0.31140045600000 -0.00394245750000 2.58951926660000 5.19640791440000 5.19399084790000 -2.54108759580000
0.35013076850000 -0.15896167990000 0.04535216720000 -0.01610432200000 0.07238447250000 -0.01747532030000 -0.32679897250000 -0.95263861840000 -5.79516861000000 -5.29264126180000 -3.81766422270000 1.62812759710000
0.11344864140000 0.18245285550000 -0.07204089100000 0.02841739460000 -0.14640109590000 0.07918824950000 0.62423422490000 3.97975891210000 6.49557726720000 3.70018997540000 2.34582036450000 -0.98446012430000
0.01548546220000 0.54712300590000 -0.22036840170000 0.04994557770000 -0.27489961240000 0.76811776930000 -2.81696354510000 -5.29898610640000 -4.79077386250000 -2.11724866990000 -1.31507401260000 0.56855334370000
0.00675609040000 0.37883067130000 -0.17041264640000 0.08447333830000 -0.36071962030000 -0.48418921670000 4.89970058190000 3.98167012490000 2.72383622760000 1.09944722020000 0.69563634680000 -0.30940754730000
0.00052795830000 0.04285758060000 0.27344596020000 -0.17027448210000 1.27820093720000 -1.59873685190000 -4.68122887640000 -2.15558705280000 -1.33199432770000 -0.53672882270000 -0.34566965870000 0.15611821500000
0.00010679480000 0.00291684210000 0.61779281700000 -0.04660391150000 0.03058511630000 2.86736106010000 3.13141361820000 0.97002990700000 0.59316261610000 0.24367856660000 0.15833517040000 -0.07196967940000
-0.00004108400000 -0.00088594690000 0.29483271660000 -0.59955128200000 -1.43980259950000 -2.33388619700000 -1.63568358950000 -0.39121687970000 -0.24222800120000 -0.10083259620000 -0.06573708030000 0.02995273120000
0.00001324160000 0.00030916800000 0.00285493860000 1.35489194400000 0.78181161710000 0.90328980560000 0.54874563870000 0.11924912420000 0.07443651090000 0.03115977280000 0.02033741810000 -0.00927390080000
* d-type functions
10 9
464.88276383
136.99134725
51.70595879
22.01410204
9.84651850
4.45903321
1.99493923
0.85242710
0.32601479
0.12468590
0.00169563900000 -0.00054316470000 0.00036174420000 -0.00021276760000 0.00048375630000 -0.00693924920000 0.00066135240000 -0.04780864760000 0.05401892730000
0.01427093810000 -0.00445970480000 0.00435313670000 -0.00493089850000 -0.01311864110000 0.01776508110000 -0.11782433010000 0.01996818720000 -1.63432157090000
0.06413605930000 -0.02051237100000 0.01350519040000 -0.00768933930000 0.01769742860000 -0.24757785660000 -0.07632501640000 -1.81445895190000 2.09277843160000
0.18570686030000 -0.05841128460000 0.05951566680000 -0.07076905170000 -0.20857291760000 0.36669549180000 -1.71394028890000 2.79331734210000 -1.72158890540000
0.33898663700000 -0.11546265380000 0.07855650670000 -0.04789602490000 0.18302675010000 -2.11880904780000 2.66281354530000 -2.28888948920000 1.13932864520000
0.38706491030000 -0.12189561580000 0.20454242700000 -0.33549791290000 -1.32611637910000 3.25516147960000 -1.91420303850000 1.34928462060000 -0.66076586920000
0.23804888920000 -0.07007532060000 -0.09850061590000 0.37304857290000 2.81783486100000 -2.27600234060000 1.02696313710000 -0.66613539360000 0.34281506930000
0.05058523900000 0.57170402140000 -0.79846490020000 0.81426986580000 -2.54320316870000 1.07815807020000 -0.46135009680000 0.29057355140000 -0.15573182880000
0.00219737200000 0.54144290210000 0.42233357020000 -1.66153360490000 1.47985548240000 -0.44416881970000 0.17663760420000 -0.11498173350000 0.06274236710000
0.00003414940000 0.02299751550000 0.68517268460000 1.26427862370000 -0.57369294780000 0.14604066810000 -0.05513550500000 0.03726128280000 -0.02041626400000
* f-type functions
6 6
2.83946582
2.04412277
1.44940802
0.81989446
0.42099353
0.18473864
0.01009621360000 -0.14964540280000 0.29785952030000 -0.46033323390000 8.83355710190000 -2.42751172930000
-0.05766075400000 -0.01125792420000 -0.35814972950000 2.74189802970000 -1.900622199480e1 10.55438941050000
0.21157566460000 0.84274880560000 -0.56026986560000 -5.67184703140000 14.52046386230000 -1.153214268090e1
0.52852758030000 0.23894957760000 0.02651809380000 5.58559217340000 -5.04078468210000 5.27242876690000
0.36448898870000 -0.70766479800000 1.30622663820000 -3.38404816740000 1.51723398200000 -1.80972955670000
0.05113299910000 -0.37581387100000 -1.35769998330000 1.11500722910000 -0.32078016920000 0.40570976010000
* g-type functions
3 3
1.40390558
0.74818093
0.34672899
0.26844252020000 -0.17313779890000 1.73650250450000
0.65265298180000 -0.76686060110000 -2.05074453600000
0.19127587170000 1.27127374810000 0.84103167260000
/Sr.ANO-R.Zobel.22s15p10d6f4g.15s12p9d6f4g.
J.P. Zobel, P.-O. Widmark, V. Veryazov. J. Chem. Theory Comput. 16 (2020) 278-294. doi:10.1021/acs.jctc.9b00873
STRONTIUM (22s,15p,10d,6f,4g) -> [15s,12p,9d,6f,4g]
38.0 4
* s-type functions
22 15
25550573.96800000
3867802.36800000
757428.86895000
182540.03438000
51909.83141300
16819.16492200
6032.56538350
2339.66181420
962.80686075
414.04987031
183.79614725
83.35346246
38.27169519
17.63729202
8.08405115
3.64721854
1.59960167
0.67156741
0.26477392
0.09573202
0.03082989
0.00992857
0.00010028850000 -0.00002384860000 0.00000091400000 -0.00000521710000 0.00000127630000 -0.00000182390000 0.00000467130000 -0.00000502950000 0.00000633420000 -0.00001366510000 0.00002992420000 -0.00004889970000 0.00046263820000 -0.00490123840000 0.01567520600000
0.00032162390000 -0.00007654350000 0.00000291530000 -0.00001674200000 0.00000409720000 -0.00000585990000 0.00001502490000 -0.00001623290000 0.00002038240000 -0.00004226910000 0.00010090830000 -0.00012119810000 -0.00218839840000 0.01894591180000 -0.06454175520000
0.00095864510000 -0.00022855250000 0.00000857600000 -0.00004994590000 0.00001222040000 -0.00001744550000 0.00004461970000 -0.00004783480000 0.00006046970000 -0.00013675690000 0.00026879580000 -0.00055617110000 0.01057701290000 -0.06547350130000 0.22780160230000
0.00260915250000 -0.00062454800000 0.00002269590000 -0.00013637600000 0.00003342360000 -0.00004790180000 0.00012316900000 -0.00013423050000 0.00016730180000 -0.00031221060000 0.00092303920000 -0.00067403520000 -0.03134019900000 0.20004821520000 -0.67058800820000
0.00693886810000 -0.00167239540000 0.00005712620000 -0.00036388910000 0.00008909700000 -0.00012673260000 0.00032248390000 -0.00034027600000 0.00043615820000 -0.00115155910000 0.00149518850000 -0.00516972590000 0.07522807940000 -0.49079248570000 1.71645916130000
0.01813794200000 -0.00443329950000 0.00013341920000 -0.00096203270000 0.00023688670000 -0.00034131310000 0.00088432880000 -0.00098540600000 0.00120533300000 -0.00160726170000 0.00839479970000 -0.00065566050000 -0.14187274180000 1.12909723770000 -3.04502445120000
0.04618221360000 -0.01159065710000 0.00025575340000 -0.00248482120000 0.00061100550000 -0.00086294170000 0.00217273980000 -0.00221778160000 0.00292714530000 -0.01000199660000 0.00395402620000 -0.04894844770000 0.27799767190000 -2.82474968770000 4.58723053070000
0.11093985400000 -0.02953763340000 0.00017471180000 -0.00624421590000 0.00156091480000 -0.00226794560000 0.00594861030000 -0.00685650080000 0.00815829340000 -0.00429706940000 0.07460448260000 0.04561930680000 -0.44941240510000 6.17892576600000 -6.20500807560000
0.23351736990000 -0.07013029070000 -0.00174478480000 -0.01421870120000 0.00357664320000 -0.00499655430000 0.01237244370000 -0.01195111060000 0.01659238660000 -0.07781563020000 -0.03079347280000 -0.43960758080000 0.27898105580000 -1.079398444270e1 4.39224876860000
0.37423004310000 -0.14406241290000 -0.01062391340000 -0.02788599130000 0.00733454170000 -0.01083388950000 0.02910637010000 -0.03568096970000 0.04055989830000 0.03654843090000 0.56546917050000 0.39469941240000 3.62981827680000 13.65107718810000 -0.95037560370000
0.33738286940000 -0.19177158930000 -0.02382743080000 -0.03469528350000 0.00917443870000 -0.01218154150000 0.02775894080000 -0.01882847170000 0.03649202510000 -0.42167065710000 -0.72233240100000 -2.86524566330000 -9.59094486010000 -1.293889438140e1 -0.39650306150000
0.08674424660000 0.02838725380000 0.01338150920000 0.00173597480000 -0.00034036840000 -0.00192910620000 0.01393650960000 -0.04375573200000 0.02229659110000 0.83791381200000 2.03908791810000 8.86332318020000 11.82646739020000 10.13455047610000 0.30105264640000
-0.06493399270000 0.65940231760000 0.06518260960000 0.15477372170000 -0.04254168560000 0.06693340940000 -0.19592950050000 0.29178176680000 -0.30316445340000 -1.36651301530000 -7.34518969890000 -1.236648794810e1 -9.87267282210000 -7.08287594420000 -0.09422723600000
-0.05599584760000 0.71376268630000 -0.06258028640000 0.23366308710000 -0.05624709190000 0.06850286890000 -0.13376061770000 -0.01758741450000 -0.14007083970000 5.00339587730000 11.90402241410000 10.87091918540000 6.63933601400000 4.59158555680000 0.02240018490000
-0.01905101300000 -0.12913205820000 0.25014168340000 -0.16690312570000 0.03160810490000 -0.01956605010000 -0.03614285570000 0.39158819050000 -0.14344267290000 -1.037495194160e1 -1.108020976360e1 -7.26203798010000 -3.97500352000000 -2.79917742150000 -0.00595124620000
-0.02660929620000 -0.50611639530000 0.56840561630000 -0.71069088430000 0.20030807700000 -0.35597916240000 1.23739404540000 -2.60903081760000 3.23907287700000 11.87421754500000 7.27297489900000 4.13141728000000 2.22261086160000 1.60413799370000 0.00142959300000
-0.00617307030000 -0.13193479790000 0.13398619540000 -0.24592775480000 0.04761444530000 0.01887434840000 -0.52394554160000 3.98300118720000 -6.74382476920000 -8.97529669740000 -3.91455935580000 -2.14071235330000 -1.17044255780000 -0.85795622310000 0.00000510520000
-0.00046721280000 -0.01176533110000 0.10943838790000 0.86836802500000 -0.29993161990000 0.52784764770000 -2.48635065810000 -2.30527323490000 7.45613976580000 5.24576404480000 1.89076315570000 1.03602965590000 0.57548096080000 0.42490091740000 -0.00024861390000
-0.00026852470000 -0.01213396050000 0.06401208000000 0.47217690450000 -0.50842554430000 0.64642105480000 3.49299015450000 -0.49544134200000 -5.90018229760000 -2.63573411170000 -0.84818552050000 -0.46771085620000 -0.26183802100000 -0.19387916840000 0.00017218850000
0.00000859380000 0.00143537600000 -0.00296273080000 -0.01629602500000 0.52002726800000 -2.09200070080000 -1.58266320000000 2.22802730510000 3.91528088470000 1.19806157750000 0.35433437020000 0.19554103680000 0.10974403260000 0.08134717400000 -0.00008378640000
-0.00000436720000 -0.00061364790000 0.00167573440000 0.01017778070000 0.81104450490000 1.01513358860000 -0.30995796340000 -2.56945437650000 -2.43587317770000 -0.51318267530000 -0.13777015650000 -0.07561603700000 -0.04243663450000 -0.03147074950000 0.00003492990000
0.00000118260000 0.00017657960000 -0.00045766540000 -0.00281179700000 -0.01771935330000 0.46515788820000 0.69739759260000 1.54487216850000 1.11435354110000 0.17153369230000 0.04079413710000 0.02214666430000 0.01241162050000 0.00920731240000 -0.00001086770000
* p-type functions
15 12
50100.12863600
9188.58316430
2394.03317910
795.39737107
310.18746999
133.51995495
60.71498293
28.30343085
13.25954231
6.15848245
2.80484455
1.23754644
0.52002211
0.20281960
0.07910393
0.00016496620000 -0.00007232020000 0.00002237720000 -0.00000717610000 0.00002823430000 -0.00003885200000 0.00006753680000 -0.00011315100000 0.00033126840000 -0.00051022540000 0.00021514670000 -0.00256130600000
0.00097063920000 -0.00042581750000 0.00013168540000 -0.00004317840000 0.00016901300000 -0.00022318550000 0.00022521520000 -0.00108309960000 0.00053065890000 -0.00530071960000 0.01139589840000 0.05510950400000
0.00532998820000 -0.00235481250000 0.00072989520000 -0.00023161420000 0.00091345250000 -0.00128424070000 0.00267428720000 -0.00262198120000 0.01504085660000 -0.01658148010000 0.07653622010000 -0.14726352590000
0.02312913410000 -0.01030220670000 0.00319449320000 -0.00105558770000 0.00413266680000 -0.00539084960000 0.00402839080000 -0.03032401140000 0.00608416090000 -0.19691867520000 0.42093662610000 2.17569025130000
0.07945605710000 -0.03638963370000 0.01135870680000 -0.00357839260000 0.01417602150000 -0.02035802040000 0.04747546240000 -0.03262043540000 0.29116540850000 -0.30240712310000 1.44506293550000 -4.20769548340000
0.20511852130000 -0.09761905080000 0.03063991200000 -0.01024506290000 0.04033353770000 -0.05245201090000 0.02206187850000 -0.36012052750000 -0.04268222880000 -1.61539011620000 -4.05523520890000 4.86795326740000
0.36899550980000 -0.18767352360000 0.05986924190000 -0.01843406050000 0.07329623710000 -0.10968830930000 0.33166393540000 0.01107332740000 1.93566440220000 4.46415754110000 4.96956557100000 -4.24791152530000
0.36290414970000 -0.17334718140000 0.05392359490000 -0.01991500500000 0.07591540480000 -0.07403944510000 -0.33150062130000 -1.05093751800000 -5.18881482330000 -5.17261983040000 -4.15484306920000 3.08383360950000
0.12986768730000 0.14968975960000 -0.06606454140000 0.02791025310000 -0.12335672190000 0.15951392380000 0.71664872880000 4.16960511960000 6.14510651660000 3.99178413680000 2.78166865460000 -1.97889407820000
0.01768625680000 0.53694926370000 -0.23310657600000 0.06438013940000 -0.26967798560000 0.51362727880000 -3.13888385590000 -5.52350203260000 -4.68448402980000 -2.45715980470000 -1.63389159870000 1.16537559610000
0.00762130210000 0.40539782030000 -0.20134265380000 0.09679058130000 -0.37369417700000 0.09538660650000 5.28695848480000 4.18941189770000 2.73853298900000 1.33216765430000 0.88390783840000 -0.63970295430000
0.00063360440000 0.05436845370000 0.27096583610000 -0.17151831030000 1.15567747430000 -2.31495554740000 -4.87295335540000 -2.29584587380000 -1.37099108480000 -0.66463526290000 -0.44558540490000 0.32625963450000
0.00015720590000 0.00266085940000 0.64515033400000 -0.13720913040000 0.26488792880000 3.38088270520000 3.09907486020000 1.03803309110000 0.62025547930000 0.30530213640000 0.20646891900000 -0.15212396530000
-0.00006251120000 -0.00076011690000 0.27228984590000 -0.48084990410000 -1.71106925680000 -2.57214857930000 -1.52948992900000 -0.41506054630000 -0.25443144930000 -0.12672263780000 -0.08609314490000 0.06360601320000
0.00001977160000 0.00024273930000 0.00240002110000 1.30918237610000 0.95991093520000 0.99374139990000 0.49903951340000 0.12436004750000 0.07744227450000 0.03878172910000 0.02639589490000 -0.01952102720000
* d-type functions
10 9
384.40829372
112.91836406
42.57483631
17.77662278
7.74030239
3.41515022
1.44735552
0.51508257
0.11732827
0.02672566
0.00294970550000 -0.00091029030000 0.00036026360000 -0.00070221200000 0.00060552290000 -0.00513342930000 0.00599825460000 -0.04487106470000 0.04256327970000
0.02323504650000 -0.00797958230000 0.00384959930000 -0.00962222650000 0.00229763610000 0.01771051820000 0.12111803700000 0.03022737560000 1.52573132920000
0.09828310450000 -0.03023390810000 0.01171598130000 -0.02116786970000 0.01837353770000 -0.16920782010000 0.27537379890000 -1.71899594010000 -1.92422665100000
0.25853920050000 -0.09315655050000 0.04719953490000 -0.12931846840000 0.03288473440000 0.26885944380000 1.27522932220000 2.72546917360000 1.47936114430000
0.39855152030000 -0.11885984650000 0.04188667490000 -0.08867579650000 0.17459806150000 -1.76092316170000 -2.13467450660000 -2.26311620170000 -0.90340663160000
0.35465480640000 -0.17392435290000 0.12877310520000 -0.48813306880000 0.04275290610000 2.83200792530000 1.32566575340000 1.27529529760000 0.46872834640000
0.13201670450000 0.31734103420000 -0.29076277460000 1.50001109880000 -0.70253993620000 -1.86438550430000 -0.54280518110000 -0.52649871160000 -0.19616239400000
0.00812786630000 0.75637057170000 -0.25867089750000 -1.04953959130000 0.83062389870000 0.69313820900000 0.17606847510000 0.15913596130000 0.06096844600000
-0.00003091600000 0.11852539300000 0.88782239110000 0.03570328120000 -0.87515476590000 -0.22310027720000 -0.04643996310000 -0.03759453960000 -0.01456429010000
0.00000358080000 0.00307429140000 0.25945242550000 0.48219687730000 0.96454874200000 0.11278797710000 0.01690553980000 0.01038688470000 0.00398971870000
* f-type functions
6 6
2.21881826
1.54556427
0.83190943
0.38226138
0.17856666
0.08100142
0.03654427110000 -0.13298192140000 0.27909618600000 -0.37904181150000 0.42561990990000 -4.68217453400000
-0.27300429540000 0.51536830200000 -1.06227057910000 1.44823060920000 -2.45604951970000 6.67928778550000
-0.57578846910000 0.14150837250000 0.16721893310000 -1.02240734660000 3.52160643680000 -3.63957061020000
-0.26702919850000 -0.22721833640000 0.83010822010000 -0.62088196680000 -3.14898438040000 1.75124717090000
-0.03940905490000 -0.46489170580000 -0.03447828430000 1.76262556710000 2.14116820590000 -0.86147780560000
-0.02649118690000 -0.43127945810000 -0.73619774630000 -1.21455088330000 -0.85578976610000 0.28829212980000
* g-type functions
4 4
1.55313973
1.12931681
0.50379733
0.14109865
0.10541621800000 -0.12628518920000 0.15711547390000 -3.55170422210000
0.62800275140000 -0.20406002350000 -1.23501569240000 4.01429264230000
0.36431704320000 0.13729354540000 1.42558344190000 -1.06563298830000
0.02321956370000 0.93556094010000 -0.58274356550000 0.16291281260000
/Y.ANO-R.Zobel.23s15p12d7f5g3h.15s12p11d7f5g3h.
J.P. Zobel, P.-O. Widmark, V. Veryazov. J. Chem. Theory Comput. 16 (2020) 278-294. doi:10.1021/acs.jctc.9b00873
YTTRIUM (23s,15p,12d,7f,5g,3h) -> [15s,12p,11d,7f,5g,3h]
39.0 5
* s-type functions
23 15
36602179.16000000
6015517.46450000
1242730.38260000
309471.84953000
89650.34947800
29321.15997200
10561.12447500
4104.43466920
1692.62701650
730.70780952
326.58345947
149.73093127
69.85938533
32.92423162
15.55758834
7.31076076
3.38420843
1.52564344
0.66046096
0.26985426
0.10188391
0.03464354
0.01177983
0.00006713530000 -0.00004245650000 0.00001018150000 -0.00000383670000 0.00000115840000 -0.00000144400000 0.00000367930000 -0.00000499750000 0.00000374400000 -0.00000852550000 0.00001422700000 -0.00004869460000 0.00005571630000 -0.00029449970000 0.00090638880000
0.00021113920000 -0.00013356620000 0.00003204030000 -0.00001207290000 0.00000364510000 -0.00000454300000 0.00001155910000 -0.00001569470000 0.00001187250000 -0.00002775990000 0.00004180070000 -0.00015478680000 0.00019450400000 -0.00145663410000 -0.00276829950000
0.00059941830000 -0.00037942370000 0.00009106930000 -0.00003431880000 0.00001036260000 -0.00001291860000 0.00003296860000 -0.00004479930000 0.00003321020000 -0.00007338030000 0.00013646990000 -0.00043300630000 0.00052392850000 0.00298884300000 0.00702110990000
0.00155099960000 -0.00098325580000 0.00023635210000 -0.00008903480000 0.00002687930000 -0.00003349180000 0.00008494210000 -0.00011523720000 0.00008905610000 -0.00022005440000 0.00025922780000 -0.00115964880000 0.00104784240000 -0.01434139420000 -0.02878827930000
0.00391900320000 -0.00249047220000 0.00060000960000 -0.00022613070000 0.00006829280000 -0.00008517800000 0.00021866700000 -0.00029762200000 0.00021204440000 -0.00041343700000 0.00112366070000 -0.00280243290000 0.00557882020000 0.03739763640000 0.08823000340000
0.00977765490000 -0.00624487830000 0.00151178490000 -0.00056901670000 0.00017174530000 -0.00021384820000 0.00053729140000 -0.00072718260000 0.00059613240000 -0.00168251930000 0.00077521370000 -0.00776950120000 -0.00030869740000 -0.12618026780000 -0.27832983990000
0.02413951080000 -0.01554864390000 0.00379404300000 -0.00142991610000 0.00043201270000 -0.00053934640000 0.00140239610000 -0.00191557810000 0.00125035970000 -0.00167487980000 0.01010935570000 -0.01709226250000 0.05805284640000 0.17176799670000 -0.43551237320000
0.05765578260000 -0.03785419910000 0.00940070080000 -0.00353086680000 0.00106538290000 -0.00132514440000 0.00327565890000 -0.00441587280000 0.00398317150000 -0.01333441220000 -0.00442563550000 -0.05356963920000 -0.04384032590000 -0.65597964580000 3.83572549270000
0.12738020390000 -0.08691624540000 0.02233480330000 -0.00840639210000 0.00254159070000 -0.00317766900000 0.00842118650000 -0.01157088120000 0.00658642140000 -0.00176828190000 0.08521784490000 -0.10203577740000 0.54288520570000 0.66860872580000 -9.17487288360000
0.23619079650000 -0.17606838970000 0.04859791880000 -0.01815434390000 0.00547690360000 -0.00680215010000 0.01638051020000 -0.02196761760000 0.02287138810000 -0.09250221990000 -0.09753872750000 -0.33483947820000 -0.63739515030000 -3.86868324270000 12.70843591100000
0.30357447460000 -0.27273422220000 0.08560914190000 -0.03214815290000 0.00974206310000 -0.01222786110000 0.03393222740000 -0.04746009670000 0.01843811930000 0.06741191480000 0.56651694720000 -0.47896771260000 3.39896212390000 9.63100743640000 -1.256462258950e1
0.18873977020000 -0.22479010340000 0.08291806180000 -0.03073039130000 0.00924854180000 -0.01134715860000 0.02192080220000 -0.02743925910000 0.06654019490000 -0.44323243070000 -1.03235448970000 -0.14084240020000 -1.002772615930e1 -1.251710723940e1 10.15531539460000
0.07943540950000 0.14751187170000 -0.09699275910000 0.03594515960000 -0.01079326980000 0.01301341280000 -0.01614260910000 0.01835918350000 -0.12922428690000 1.01607588070000 3.05076406610000 5.48338435490000 14.93418577210000 11.48457978030000 -7.34619678250000
0.14611318730000 0.58670859110000 -0.48398985590000 0.19937910110000 -0.06146048260000 0.07837137150000 -0.24574154080000 0.36813280000000 -0.02737453200000 -1.53493484970000 -9.24317099580000 -9.60017821490000 -1.463810481790e1 -8.66770982660000 4.99905550310000
0.08602765600000 0.35527446230000 -0.40480442170000 0.17142327190000 -0.05241221730000 0.06362500890000 -0.07599346670000 0.05483688260000 -0.60105389790000 4.96105427740000 14.86784253940000 8.66553811020000 10.95056671210000 5.80068858530000 -3.25288090920000
0.01368204310000 0.03735988000000 0.49524836280000 -0.25370215960000 0.07926661690000 -0.09763875390000 0.09037808030000 -0.09026426830000 1.30513819620000 -1.097330243630e1 -1.433998585270e1 -5.57939753260000 -6.90685549910000 -3.57085735220000 2.01608639060000
0.00991754640000 0.01751717740000 0.75027224080000 -0.68207765780000 0.23891754050000 -0.32425947320000 1.38606062310000 -2.90102683620000 0.32769101020000 13.81373229890000 9.76236004220000 3.06179221140000 3.92661095880000 2.05307879760000 -1.17723711870000
0.00097569670000 -0.00055877020000 0.12145054420000 -0.00743156540000 -0.00812143870000 0.03534617460000 -1.30849984520000 6.29884516940000 -3.59283464370000 -1.155992345170e1 -5.38900569940000 -1.56890087490000 -2.07793082610000 -1.10408144020000 0.64096099500000
0.00025747110000 0.00136204870000 0.00522363190000 0.93809415940000 -0.44733580490000 0.77668361980000 -1.88611007530000 -5.96840628400000 5.69024360190000 7.46657097330000 2.64605381940000 0.76592614310000 1.02908312710000 0.55247468360000 -0.32301540490000
-0.00011127670000 -0.00058168360000 0.00077339120000 0.33150682080000 -0.42448840860000 0.23403643330000 3.84031407050000 2.87933269680000 -5.82846746800000 -4.14172565650000 -1.20416862320000 -0.35157718740000 -0.47405883750000 -0.25574858630000 0.15003000900000
0.00005249170000 0.00026771340000 0.00034003170000 -0.01311562700000 0.72429986740000 -2.05535817230000 -2.37954383530000 0.02220961950000 4.87296568510000 2.10492601850000 0.51086565870000 0.14945856410000 0.20156849550000 0.10896166850000 -0.06400830770000
-0.00002081560000 -0.00010441400000 -0.00016208550000 0.00992612530000 0.64234502240000 1.32104713810000 0.21403111450000 -1.43652190370000 -3.64863036670000 -1.02624237930000 -0.20051767710000 -0.05820361360000 -0.07845949190000 -0.04245134300000 0.02494956150000
0.00000604870000 0.00003033390000 0.00004762500000 -0.00222976210000 -0.01430181380000 0.31147713350000 0.52433083630000 1.11871329730000 1.82197233320000 0.38112618720000 0.05876678880000 0.01678802730000 0.02261751230000 0.01224480550000 -0.00719725070000
* p-type functions
15 12
57257.29447000
10345.23777200
2675.65491340
885.36235816
344.22369655
147.76753807
67.05718414
31.24818179
14.67355773
6.85463359
3.15009988
1.40478853
0.59560531
0.23264694
0.09087326
0.00015988480000 -0.00006866830000 0.00002303840000 -0.00000791940000 0.00002542810000 -0.00004000790000 0.00006973810000 -0.00008190670000 0.00038055270000 -0.00003167480000 0.00240611370000 -0.00564124790000
0.00092856350000 -0.00039914420000 0.00013388470000 -0.00004669590000 0.00014993890000 -0.00023069040000 0.00024409060000 -0.00090770450000 0.00126156310000 -0.00581007500000 -0.01063498180000 0.06801346170000
0.00503247060000 -0.00217828910000 0.00073185350000 -0.00024974300000 0.00080165080000 -0.00127823480000 0.00268306200000 -0.00136655450000 0.01520921500000 0.01255728770000 0.13284489890000 -0.18093552110000
0.02177179330000 -0.00950067580000 0.00319440730000 -0.00112045160000 0.00360438910000 -0.00551209870000 0.00438062210000 -0.02587224160000 0.02707448660000 -0.20244641110000 -0.33360321100000 2.26890594290000
0.07532384940000 -0.03378049330000 0.01141722560000 -0.00387786400000 0.01247134340000 -0.02019638850000 0.04760304450000 -0.00887410860000 0.30047193190000 0.28596541500000 2.83148404430000 -3.47516173680000
0.19776964810000 -0.09219541170000 0.03133452140000 -0.01108159230000 0.03590294560000 -0.05529445900000 0.02828150980000 -0.31681248380000 0.37883139980000 -2.69215481740000 -4.98728342390000 3.23264655170000
0.36459546420000 -0.18169867010000 0.06259876400000 -0.02097432050000 0.06732231670000 -0.11147871220000 0.33936115290000 0.14322916740000 1.03935678030000 5.92593348740000 4.95196757530000 -2.41788593430000
0.37265843070000 -0.17803935460000 0.06039155390000 -0.02274430250000 0.07351345390000 -0.09605218960000 -0.30994287700000 -1.58098854030000 -4.04352567040000 -6.95943504940000 -3.64962665330000 1.62322623150000
0.13961113940000 0.13041768490000 -0.06233404540000 0.02676601470000 -0.10130350050000 0.17865719500000 0.68180743980000 4.89433978500000 4.91938680620000 5.66867685970000 2.30911797200000 -1.02456329460000
0.01327190070000 0.52994003890000 -0.24412082150000 0.07730481360000 -0.25283123260000 0.49803505370000 -3.18878377800000 -6.21111982970000 -3.65007866990000 -3.66054743000000 -1.35304123770000 0.61387718510000
0.00315158930000 0.42162013380000 -0.22492811830000 0.10385968860000 -0.36068181130000 0.23682018260000 5.41744116320000 4.72443129490000 2.06827080410000 2.03659404000000 0.74662694420000 -0.34500271710000
-0.00000334700000 0.06194616510000 0.28075714840000 -0.17008490230000 0.99202362980000 -2.54351009200000 -4.97887459120000 -2.62314087970000 -1.01378061540000 -1.02019047930000 -0.38178768620000 0.17822251420000
0.00014619130000 0.00235738430000 0.66716387730000 -0.22628746840000 0.47913890680000 3.46310327230000 3.11593866570000 1.19247429390000 0.45216326130000 0.46337842150000 0.17659677270000 -0.08284613500000
-0.00006197490000 -0.00061619950000 0.24664112280000 -0.32347069710000 -1.91556328910000 -2.51088385250000 -1.50445408880000 -0.47494121080000 -0.18338302000000 -0.18937014510000 -0.07288291310000 0.03426964010000
0.00001954230000 0.00017509990000 0.00162271370000 1.23239899110000 1.10056209450000 0.96613687140000 0.48847634830000 0.14208266140000 0.05566356240000 0.05761834130000 0.02226316560000 -0.01047768280000
* d-type functions
12 11
725.82383263
217.48962900
80.97580629
34.61058751
15.92531990
7.49205110
3.45885351
1.51671553
0.61522305
0.22572833
0.07339124
0.02386176
0.00089618140000 -0.00020112840000 0.00027161860000 -0.00026589920000 0.00019914580000 -0.00009887710000 0.00103382800000 -0.00536072590000 0.00107869460000 -0.05419706720000 0.18369314400000
0.00789181230000 -0.00174379360000 0.00214118010000 -0.00140250130000 0.00278377140000 -0.00299784540000 0.01718082870000 -0.00206901320000 -0.11195552070000 0.18204512400000 -1.72652547730000
0.04028549370000 -0.00908286520000 0.01203516020000 -0.01118720940000 0.00906931350000 -0.00599298340000 0.05556903590000 -0.22917729530000 -0.15978917520000 -2.05013726210000 2.01265331470000
0.12888072600000 -0.02882592480000 0.03447909220000 -0.02022251060000 0.04290942580000 -0.05260280730000 0.31570811870000 -0.04835728490000 -1.63328937010000 3.30848192460000 -1.61647690610000
0.27228656470000 -0.06264504780000 0.08896323620000 -0.09875928080000 0.08920945750000 -0.02473364820000 0.20265212150000 -1.49130727370000 3.26783512700000 -3.06658241940000 1.08867754950000
0.38119328220000 -0.08170805380000 0.10412396570000 -0.05843595450000 0.22969464290000 -0.19776175380000 0.69984192690000 3.25202364610000 -2.98822543760000 2.02514923670000 -0.64478949380000
0.32430091070000 -0.06177284090000 0.15598459760000 -0.32059266500000 0.17341447810000 0.30253203290000 -2.30056072090000 -3.08910703240000 1.77286510990000 -1.06252458230000 0.33995272240000
0.10859647750000 0.13814990360000 -0.37190641750000 0.95571054830000 -1.58446501710000 0.12854540020000 2.11811127760000 1.92272020290000 -0.82166834340000 0.48303097010000 -0.16037499300000
0.00611507750000 0.38587075320000 -0.67517065020000 -0.16902085880000 2.02053351390000 -0.49160122530000 -1.23939179240000 -0.95463367220000 0.33833752630000 -0.20131812630000 0.06858176250000
0.00050128320000 0.46592884480000 0.40812790380000 -1.00754247280000 -1.43273691890000 0.67744724860000 0.66144326480000 0.42341584260000 -0.13152917120000 0.07888015780000 -0.02713270240000
-0.00018211550000 0.28333699140000 0.55772596810000 1.03505253180000 0.57854428470000 -1.05897400410000 -0.38552260340000 -0.18349687260000 0.05011136820000 -0.02989828340000 0.01027787910000
0.00006342730000 0.00970586960000 -0.01666579830000 -0.10320834040000 0.15877276810000 1.28648274390000 0.23928494830000 0.06923765560000 -0.01691245800000 0.00987119120000 -0.00335609850000
* f-type functions
7 7
3.45077987
2.46835646
1.78994535
0.97325026
0.44668515
0.20838876
0.08946387
0.00748469440000 -0.00622193860000 0.15584709850000 -0.24040811840000 0.11589442000000 -4.55538227490000 7.65347316220000
-0.01389735320000 -0.06456745990000 -0.02231165370000 0.05739166080000 -0.70178483720000 15.57728240690000 -1.542349228760e1
0.12265156990000 0.28327511080000 -0.76757915790000 1.14044830990000 2.78438276510000 -1.525257592650e1 10.42201928780000
0.37829732480000 0.44458315310000 -0.22931982470000 -0.78643062270000 -3.60562953020000 6.16367241850000 -2.52251561360000
0.30430432050000 0.18437977040000 1.02192556990000 -0.80717018710000 2.99388097440000 -2.56503140760000 0.60914494570000
0.31219791830000 -0.52588690020000 -0.01941593830000 1.72216569970000 -1.93769236010000 1.15513662290000 -0.16067442900000
0.20639454720000 -0.44217914370000 -0.60438999340000 -1.18282038170000 0.75773343060000 -0.35944960610000 0.02396186630000
* g-type functions
5 5
2.60838259
1.15388085
0.53817914
0.25085825
0.10865156
0.06686922670000 -0.08773687790000 0.16250924420000 -0.16978864300000 1.44617714900000
0.63040781700000 -0.49728700770000 0.61790118570000 -0.73074069860000 -1.78492454820000
0.24740609420000 -0.01049337930000 -0.80515435120000 1.81115422470000 1.37449813120000
0.23191921390000 0.56467302580000 -0.37815243050000 -1.88933959790000 -0.70490721660000
0.11555898370000 0.45308999530000 0.86341051840000 1.02694459400000 0.22734663870000
* h-type functions
3 3
1.54827367
0.67225592
0.21128465
0.45457137810000 -0.44791168880000 1.07135927210000
0.51346957240000 -0.17914461880000 -1.21594051390000
0.34144575880000 0.91746847200000 0.47906300680000
/Zr.ANO-R.Zobel.23s15p12d6f5g3h.15s12p10d6f5g3h.
J.P. Zobel, P.-O. Widmark, V. Veryazov. J. Chem. Theory Comput. 16 (2020) 278-294. doi:10.1021/acs.jctc.9b00873
ZIRCONIUM (23s,15p,12d,6f,5g,3h) -> [15s,12p,10d,6f,5g,3h]
40.0 5
* s-type functions
23 15
38151598.11900000
6313622.43510000
1313465.73300000
329070.51519000
95757.93392000
31403.95684500
11322.56059600
4398.40886820
1811.27865150
780.48457717
348.24255845
159.50665197
74.43617595
35.14055354
16.65868083
7.86394496
3.65961211
1.65810968
0.72014572
0.29407172
0.11024398
0.03685612
0.01232152
0.00007859490000 -0.00002739500000 0.00001146960000 -0.00000416580000 0.00000112550000 -0.00000192490000 0.00000344140000 -0.00000398210000 0.00000500870000 -0.00001014220000 0.00001706510000 -0.00005142940000 0.00007258660000 -0.00021055710000 0.00119221210000
0.00024686890000 -0.00008608730000 0.00003604690000 -0.00001309130000 0.00000353690000 -0.00000604630000 0.00001079030000 -0.00001247230000 0.00001576370000 -0.00003273160000 0.00005069350000 -0.00016125350000 0.00018971540000 0.00199028880000 -0.00419434430000
0.00069334220000 -0.00024199920000 0.00010135020000 -0.00003681280000 0.00000994690000 -0.00001701910000 0.00003048590000 -0.00003531770000 0.00004419590000 -0.00008704430000 0.00015964750000 -0.00045315040000 0.00074583500000 -0.00388402610000 0.01443140200000
0.00177521880000 -0.00062098910000 0.00026022550000 -0.00009449030000 0.00002552600000 -0.00004359490000 0.00007749000000 -0.00008935320000 0.00011414460000 -0.00024996240000 0.00031929560000 -0.00118500060000 0.00103003030000 0.02026795300000 -0.01889147430000
0.00443924960000 -0.00155843910000 0.00065356250000 -0.00023744940000 0.00006417390000 -0.00010999140000 0.00019845710000 -0.00023092710000 0.00028351600000 -0.00049930810000 0.00124265990000 -0.00286485740000 0.00627603670000 -0.04461562310000 0.02980691670000
0.01097837530000 -0.00388220270000 0.00163111970000 -0.00059193980000 0.00015986290000 -0.00027229270000 0.00047839320000 -0.00054769450000 0.00072150410000 -0.00181039970000 0.00117096930000 -0.00784071720000 0.00094455850000 0.17988850820000 0.02577941820000
0.02693927580000 -0.00964280280000 0.00406255120000 -0.00147680020000 0.00039933190000 -0.00068697300000 0.00125880400000 -0.00147846410000 0.00174335990000 -0.00227972310000 0.01055664680000 -0.01729011500000 0.06257669980000 -0.28353263590000 0.84590115560000
0.06422263170000 -0.02361457800000 0.01001418290000 -0.00363018770000 0.00097998330000 -0.00166167300000 0.00286062580000 -0.00323356890000 0.00449311450000 -0.01365232830000 -0.00143020350000 -0.05509911720000 -0.03552744790000 0.71146089370000 -4.89217662750000
0.14244608800000 -0.05523074530000 0.02370912270000 -0.00862506810000 0.00233447760000 -0.00403825350000 0.00756805090000 -0.00900996520000 0.01002965790000 -0.00626472800000 0.08595114390000 -0.10494956370000 0.60345595440000 0.05300728160000 9.23625100950000
0.26803443990000 -0.11679256370000 0.05149222780000 -0.01863983490000 0.00503065450000 -0.00847005300000 0.01410070730000 -0.01560368920000 0.02369353910000 -0.09143354190000 -0.07602782720000 -0.33258338690000 -0.72767965300000 2.00894313360000 -1.060465420350e1
0.35700471800000 -0.19534597200000 0.09051972830000 -0.03309689450000 0.00898496140000 -0.01575816790000 0.03113432700000 -0.03826608130000 0.03740483610000 0.04126515830000 0.56895999140000 -0.36166062100000 3.43720654940000 -7.31365448380000 9.45549785790000
0.23708611290000 -0.17630107430000 0.08814641480000 -0.03196567820000 0.00859681220000 -0.01371993160000 0.01685984900000 -0.01417844240000 0.04736154390000 -0.41389606160000 -0.97167954810000 -0.46149777530000 -9.99990194700000 10.58535299310000 -7.39437462990000
0.04567612480000 0.15517394360000 -0.09852395980000 0.03620528930000 -0.00969329790000 0.01409439170000 -0.00603345130000 -0.00567136420000 -0.06797975340000 0.94282271770000 2.71850270000000 6.06162404510000 14.86704706810000 -1.019754537460e1 5.38395369460000
0.01085843340000 0.59168840930000 -0.49560702190000 0.20430490070000 -0.05659360160000 0.10364190970000 -0.23376563800000 0.31230311590000 -0.23934845050000 -1.24186390870000 -8.81035821180000 -1.058596489240e1 -1.463523809460e1 7.89207080560000 -3.73506506630000
0.00443910010000 0.36197473020000 -0.42140403500000 0.17989089290000 -0.04914383330000 0.07267185990000 -0.03445723870000 -0.03284311610000 -0.31991630090000 4.55791765730000 14.79092352770000 9.92372023600000 11.05676913210000 -5.35222939590000 2.47231728760000
0.00412588070000 0.05126676070000 0.48840154440000 -0.25713703870000 0.07175708540000 -0.10201723730000 -0.00985422870000 0.13589651400000 0.65280889250000 -1.073570167940e1 -1.476543424570e1 -6.67867710770000 -7.04731531940000 3.31586457920000 -1.54816544240000
0.00455224920000 0.03444009270000 0.75729351490000 -0.71252400100000 0.22580822090000 -0.46589991860000 1.39102177330000 -2.38335178570000 2.15308576830000 13.67684600880000 10.38907615450000 3.76443881400000 4.02661222880000 -1.90770757790000 0.90688196420000
0.00089004970000 0.00217929570000 0.12224974010000 0.02425867090000 -0.02297806000000 0.13265080590000 -1.33973528670000 4.23596320040000 -6.42740183230000 -1.131342223520e1 -5.88982369210000 -1.93045985040000 -2.12348823400000 1.02031594430000 -0.49183645510000
-0.00004913320000 0.00116328850000 0.00661155130000 0.92424473670000 -0.39192815550000 1.02350632880000 -1.46339428250000 -2.66601445300000 8.17062173360000 7.10758377880000 2.93326464520000 0.92626816120000 1.03938215590000 -0.50448094330000 0.24514506700000
0.00002648930000 -0.00063691350000 0.00118062000000 0.33211120260000 -0.34881939700000 -0.23489151100000 3.01813957770000 -0.55673561510000 -6.96193779620000 -3.76962422690000 -1.33627656480000 -0.41467187430000 -0.47017158030000 0.22939684200000 -0.11190603800000
-0.00000948620000 0.00026183170000 0.00038131660000 -0.00923638780000 0.50059345600000 -1.54227041960000 -1.45202854150000 2.57481297440000 4.67755387650000 1.77346553160000 0.56225177230000 0.17168304130000 0.19571634520000 -0.09571073790000 0.04676752310000
0.00000344180000 -0.00010329450000 -0.00016821820000 0.00612649090000 0.76062564310000 0.81759654820000 -0.61332466130000 -2.80675799290000 -2.70536538020000 -0.75760604210000 -0.21875839020000 -0.06555298010000 -0.07500846530000 0.03671924650000 -0.01795347330000
-0.00000100140000 0.00002964280000 0.00004819160000 -0.00149728630000 0.02358869120000 0.50968160940000 0.98197798400000 1.54764623280000 1.08495859680000 0.23971719770000 0.06414525080000 0.01885436730000 0.02164093750000 -0.01059954830000 0.00518352780000
* p-type functions
15 12
64682.28194700
11544.57482400
2964.79259750
976.55082738
378.35751391
161.96691131
73.36447615
34.17692581
16.07965947
7.54581468
3.49231484
1.57078966
0.67125829
0.26313068
0.10314622
0.00015608680000 -0.00006714850000 0.00002314110000 -0.00001324160000 0.00002784670000 -0.00004051110000 0.00006539570000 -0.00009992680000 0.00037241890000 -0.00010522240000 0.00207136180000 -0.02269750080000
0.00089456020000 -0.00038520480000 0.00013271380000 -0.00007694430000 0.00016328700000 -0.00022246530000 0.00021099900000 -0.00091405520000 0.00113046000000 -0.00606350190000 -0.00965461770000 0.13527846580000
0.00479157850000 -0.00207742400000 0.00071695500000 -0.00040736230000 0.00085232150000 -0.00128696630000 0.00252302970000 -0.00207603940000 0.01510210150000 0.00951915670000 0.12875641090000 -0.49247948250000
0.02067798870000 -0.00903676350000 0.00312040640000 -0.00182034360000 0.00388381480000 -0.00515844330000 0.00337023760000 -0.02527090700000 0.02356701980000 -0.21702194300000 -0.35053417250000 2.60325011670000
0.07194649240000 -0.03229400820000 0.01120933800000 -0.00634489840000 0.01325758280000 -0.02065970270000 0.04544184310000 -0.02323847960000 0.29862375820000 0.24110494370000 2.84886587450000 -3.70377083070000
0.19143677410000 -0.08930142350000 0.03115752160000 -0.01835696950000 0.03961582180000 -0.05188643940000 0.01756083410000 -0.31506835060000 0.26727933800000 -2.62251844970000 -5.04055477190000 3.34614617580000
0.35963195710000 -0.17929363360000 0.06341297660000 -0.03549630910000 0.07352530830000 -0.12219850650000 0.34028964180000 0.05632847540000 1.30093235330000 5.79048983250000 5.08594841860000 -2.46223180020000
0.37883984630000 -0.18360136460000 0.06412934840000 -0.03990525870000 0.08854358230000 -0.07849851480000 -0.33993102800000 -1.41202823240000 -4.42845613180000 -6.76606186490000 -3.83448016260000 1.64930169030000
0.14875131430000 0.11440746370000 -0.05719465510000 0.04400864910000 -0.12190582610000 0.12441646150000 0.82292999870000 4.75230788630000 5.42577600580000 5.52710364220000 2.48446257040000 -1.05179893360000
0.01328172400000 0.52437317080000 -0.24808328920000 0.13440857400000 -0.27063186900000 0.64588463760000 -3.41350351350000 -6.12684382920000 -4.15699528870000 -3.60915677340000 -1.48374922490000 0.63981155310000
0.00194689790000 0.43424433340000 -0.23686800430000 0.17879238850000 -0.41735908760000 -0.05143113690000 5.69906780150000 4.66296646640000 2.43470622950000 2.03309492080000 0.82813266190000 -0.36416311880000
-0.00023171960000 0.06699773570000 0.27866312920000 -0.34671171600000 1.28785651670000 -2.23621350520000 -5.30519641030000 -2.56356726860000 -1.21602158750000 -1.02470151800000 -0.42477364670000 0.18918246280000
0.00015036500000 0.00250143730000 0.65364374750000 -0.37747413250000 -0.00792260630000 3.39553156610000 3.39785631430000 1.14443992250000 0.54275027860000 0.46392948990000 0.19548373570000 -0.08766578750000
-0.00007079870000 -0.00042047130000 0.26606593090000 0.10944930340000 -1.63275662880000 -2.67783112280000 -1.68640718520000 -0.44815132810000 -0.21860268880000 -0.18813671190000 -0.07998030620000 0.03598689920000
0.00002052260000 0.00018099220000 0.00501596620000 0.96569278720000 1.21312969580000 1.11284961470000 0.56283462960000 0.13324638190000 0.06615484050000 0.05703505360000 0.02432933620000 -0.01096105460000
* d-type functions
12 10
802.51992695
238.89071461
89.17415647
38.21958730
17.60034536
8.29278667
3.85708826
1.72352962
0.72324895
0.27859346
0.09586750
0.03298921
0.00085210570000 -0.00019498340000 0.00006892650000 -0.00026103140000 0.00026473940000 -0.00039662910000 0.00070500090000 -0.00560593840000 0.00540175170000 -0.19104363820000
0.00752884710000 -0.00172302820000 0.00063786180000 -0.00208119600000 0.00165639260000 -0.00404057610000 0.01679498680000 0.00187602500000 0.08349519240000 1.69478111490000
0.03853191250000 -0.00888649910000 0.00315800910000 -0.01170392770000 0.01147396200000 -0.01833944480000 0.04201808080000 -0.23575878890000 0.38462414100000 -1.69713216750000
0.12492980430000 -0.02905475670000 0.01075713320000 -0.03439922820000 0.02543571600000 -0.06611786780000 0.30997078310000 -0.00036340190000 1.29081238220000 1.09150279400000
0.26946710260000 -0.06293387680000 0.02224169270000 -0.08763784420000 0.09789856720000 -0.15056208130000 0.13535714170000 -1.62333703650000 -2.92962990260000 -0.58673771710000
0.38276113040000 -0.08509245690000 0.03301025800000 -0.10199456200000 0.07879967620000 -0.22609353540000 0.86954958910000 3.41039302710000 2.76585023610000 0.31046730690000
0.32570073280000 -0.05504705950000 0.01714948030000 -0.13664386600000 0.27796859380000 -0.11538804960000 -2.59641539560000 -3.22154925300000 -1.69172333860000 -0.16848646060000
0.10874374020000 0.12151280560000 -0.04206799720000 0.33619126580000 -0.81629020430000 1.71517420140000 2.52351603780000 2.01485440460000 0.81483600250000 0.08675513550000
0.00705483050000 0.35818695020000 -0.17258508200000 0.60622103780000 -0.16626368790000 -2.29889596660000 -1.55929746090000 -1.00061080190000 -0.34869651540000 -0.04022187060000
0.00063213280000 0.47735541110000 -0.05887614930000 -0.23011606180000 1.34046251930000 1.66081029840000 0.80111142920000 0.43094721370000 0.13955199660000 0.01682710280000
-0.00013729900000 0.27336802500000 -0.19372726670000 -0.90342379500000 -1.36413323560000 -0.87879801550000 -0.35887467670000 -0.17120066560000 -0.05369150300000 -0.00659007190000
0.00006324620000 0.04863766170000 1.08399076670000 0.56494430660000 0.56547203540000 0.30880498970000 0.12044865660000 0.05604135400000 0.01756132840000 0.00216649380000
* f-type functions
6 6
3.35857279
1.89975118
1.04371694
0.50885126
0.21705007
0.09303601
0.01946796140000 -0.03365577900000 0.19579382260000 -0.27850460010000 0.32819536840000 -2.67538403570000
0.08793051840000 0.24288521600000 -0.93212406660000 1.56061194560000 -2.40699150150000 4.01755201210000
0.29139231420000 0.51755523870000 -0.12136041060000 -1.35607161140000 3.73720052960000 -2.87426623440000
0.42357714590000 0.05906007450000 0.92364491760000 -0.26646861760000 -3.08554399000000 1.36291779090000
0.32865074000000 -0.50541169290000 -0.01863267620000 1.33465016720000 1.93804122370000 -0.54838101750000
0.12680546240000 -0.40185197060000 -0.63866470760000 -1.07284918200000 -0.85649241070000 0.18139217880000
* g-type functions
5 5
2.25443483
1.75289222
0.98505436
0.41678701
0.15744680
0.00330148900000 -0.06733359920000 0.24135498000000 -0.14140829140000 6.04985014660000
0.19654961900000 0.57979736500000 -1.25930470430000 -1.38878649960000 -8.04942467820000
0.48494507590000 0.27702356590000 0.66792542240000 2.20098807360000 3.16642013470000
0.39760904790000 -0.42562685220000 0.63825458790000 -1.50402933570000 -0.98513185070000
0.18065309570000 -0.56345001050000 -0.86674596480000 0.69048780300000 0.30549257090000
* h-type functions
3 3
2.76693176
1.29062279
0.52690663
0.09471737890000 -0.18562871050000 1.33765765980000
0.65398251480000 -0.76776463210000 -1.22203086820000
0.42389257410000 1.05264241700000 0.50252815290000
/Nb.ANO-R.Zobel.23s15p12d6f5g3h.15s12p10d6f5g3h.
J.P. Zobel, P.-O. Widmark, V. Veryazov. J. Chem. Theory Comput. 16 (2020) 278-294. doi:10.1021/acs.jctc.9b00873
NIOBIUM (23s,15p,12d,6f,5g,3h) -> [15s,12p,10d,6f,5g,3h]
41.0 5
* s-type functions
23 15
40014825.56500000
6670748.90690000
1404907.32920000
356751.74645000
105079.76421000
34783.86327800
12615.86321400
4913.99661220
2023.82962160
870.84545655
387.90814446
177.55580990
82.98184633
39.34992688
18.79987129
8.97100563
4.22800532
1.93954405
0.84985323
0.34725483
0.12840517
0.04141208
0.01335585
0.00008186020000 -0.00002761420000 0.00001205950000 -0.00000447040000 0.00000122600000 -0.00000236940000 0.00000391250000 -0.00000426890000 0.00000524790000 -0.00001145740000 0.00001807860000 -0.00005289940000 0.00006719040000 -0.00086551760000 0.00200376490000
0.00025751130000 -0.00008690700000 0.00003795740000 -0.00001406950000 0.00000385810000 -0.00000745310000 0.00001227810000 -0.00001338200000 0.00001650460000 -0.00003709870000 0.00005336650000 -0.00016849010000 0.00026038440000 0.00160180920000 -0.00827193590000
0.00071029920000 -0.00023994740000 0.00010481790000 -0.00003885820000 0.00001065770000 -0.00002060740000 0.00003411320000 -0.00003726480000 0.00004565580000 -0.00009654460000 0.00016757380000 -0.00045414520000 0.00061577390000 -0.00913031800000 0.03091614840000
0.00178581320000 -0.00060462410000 0.00026425100000 -0.00009792960000 0.00002684930000 -0.00005181620000 0.00008491760000 -0.00009232490000 0.00011469000000 -0.00027419450000 0.00031737040000 -0.00121331550000 0.00163126490000 0.02026424970000 -0.10222146480000
0.00438356890000 -0.00148969200000 0.00065153320000 -0.00024160380000 0.00006629020000 -0.00012840780000 0.00021457800000 -0.00023545740000 0.00028484150000 -0.00052911130000 0.00128477700000 -0.00267910130000 0.00542260400000 -0.07110517580000 0.19330337400000
0.01066250400000 -0.00364975090000 0.00159869070000 -0.00059210030000 0.00016225050000 -0.00031225180000 0.00050396250000 -0.00054389350000 0.00069003990000 -0.00193354050000 0.00098737520000 -0.00807439690000 0.00355555880000 0.10027309370000 -0.46496490400000
0.02584495720000 -0.00895620990000 0.00393265200000 -0.00145920370000 0.00040070840000 -0.00077918200000 0.00132832820000 -0.00147140250000 0.00173380580000 -0.00228000770000 0.01088392250000 -0.01455434580000 0.05660664880000 -0.23586194130000 1.89954408060000
0.06122947520000 -0.02177851150000 0.00961368550000 -0.00355638980000 0.00097375480000 -0.00186528830000 0.00293155960000 -0.00312245180000 0.00411141880000 -0.01439958000000 -0.00345476950000 -0.05819680680000 -0.02310745610000 -0.06847809700000 -5.23563471330000
0.13609298320000 -0.05099193110000 0.02274559900000 -0.00844650890000 0.00232278200000 -0.00454219070000 0.00796587740000 -0.00894313030000 0.01016863230000 -0.00560289400000 0.08908950880000 -0.07868668380000 0.57656103560000 -0.72591204530000 10.13764174950000
0.25961044120000 -0.10884880910000 0.04963883130000 -0.01833395610000 0.00501573080000 -0.00954006100000 0.01435915410000 -0.01496492900000 0.02098741270000 -0.09711023620000 -0.09186219710000 -0.37471765660000 -0.67584862080000 -1.33807896610000 -1.420335237640e1
0.35747942550000 -0.18709362720000 0.08910529810000 -0.03325143630000 0.00918137490000 -0.01820094480000 0.03401606380000 -0.03935798540000 0.04158858580000 0.04754748580000 0.60760994490000 -0.18029689700000 3.49253951090000 6.68095852790000 15.15123918330000
0.25370515910000 -0.18180729880000 0.09270511270000 -0.03427611310000 0.00931238640000 -0.01685432120000 0.01747928050000 -0.01380278810000 0.03611018960000 -0.45830831500000 -1.08185714120000 -1.05845809330000 -1.013440026570e1 -1.007550238050e1 -1.324193657040e1
0.05291417980000 0.11982045200000 -0.07655970340000 0.02832413290000 -0.00753256930000 0.01160922610000 0.00699218790000 -0.02043188650000 -0.02386186130000 1.01809296370000 3.12003420610000 7.01748093220000 14.90167671840000 9.87648470020000 10.20254363200000
0.00427041730000 0.57142967640000 -0.47130189720000 0.19789692400000 -0.05598622060000 0.11638552380000 -0.25793800950000 0.32522514800000 -0.30232875660000 -1.42050961760000 -9.65118609770000 -1.155832828850e1 -1.459969313890e1 -7.75240770120000 -7.28060567430000
0.00059630110000 0.39643558950000 -0.46638291750000 0.20330079680000 -0.05583768380000 0.09526495230000 -0.02706135010000 -0.04437374140000 -0.18101853820000 5.13220986290000 15.88646873990000 10.68238750700000 11.06918269440000 5.33290094580000 4.89856665460000
0.00318176000000 0.06235930170000 0.40089847760000 -0.21007029740000 0.05760054840000 -0.08829016540000 -0.12121743220000 0.26881881610000 0.18628716020000 -1.166968046240e1 -1.578722861250e1 -7.16546546940000 -7.10612367530000 -3.34302598020000 -3.09635666330000
0.00467277780000 0.03735435740000 0.79610129130000 -0.73086758320000 0.23729040280000 -0.54950062340000 1.64606230870000 -2.66660823450000 2.99070754470000 14.44498777770000 11.09406537360000 4.02069329880000 4.07175416870000 1.93109630900000 1.81552480230000
0.00115300110000 0.00436420880000 0.16779486420000 -0.07885280720000 0.00801479970000 0.05588074610000 -1.48641589570000 4.53807214140000 -7.19872867590000 -1.156081182660e1 -6.23197443270000 -2.03470302940000 -2.12886219080000 -1.02395551070000 -0.97405104550000
-0.00006355570000 0.00090186510000 0.00374203410000 0.93008494740000 -0.38761990370000 1.28711925340000 -1.53455122800000 -3.00477354460000 8.47115308410000 6.93761171960000 3.02977349630000 0.95106465640000 1.01765909660000 0.49438294090000 0.47354237390000
0.00003623400000 -0.00055851470000 0.00323390200000 0.38555587650000 -0.38352939390000 -0.42621595460000 3.27007528030000 -0.10524852910000 -6.84000341750000 -3.46458701040000 -1.32743448040000 -0.40946844240000 -0.44327282620000 -0.21645442110000 -0.20803416930000
-0.00001281620000 0.00020543560000 -0.00034200030000 -0.00725712050000 0.48759879730000 -1.50982834420000 -1.90398847010000 2.11723990240000 4.43782326530000 1.52312537540000 0.53282983870000 0.16187076940000 0.17630946090000 0.08628932730000 0.08305482240000
0.00000460030000 -0.00007974820000 0.00011354230000 0.00611030060000 0.79063561250000 0.95152525110000 -0.16989925780000 -2.56149612240000 -2.58196205030000 -0.61417162250000 -0.19997560300000 -0.05968519520000 -0.06529227890000 -0.03198730590000 -0.03080644590000
-0.00000134490000 0.00002266320000 -0.00003517360000 -0.00162515580000 0.00699351380000 0.35450110320000 0.80843620160000 1.55195316880000 1.09326123810000 0.18983879920000 0.05858558430000 0.01717185760000 0.01885458830000 0.00924144330000 0.00890226520000
* p-type functions
15 12
71459.42657000
12596.22891200
3216.42851430
1056.22612280
408.23101777
174.32712373
78.79740701
36.67469643
17.27419918
8.13451227
3.78405086
1.70976033
0.73047586
0.28300515
0.10964348
0.00015574910000 -0.00006779950000 0.00002399450000 -0.00001433660000 0.00002830790000 -0.00004127860000 0.00006591870000 -0.00010485760000 0.00036914960000 -0.00010650910000 0.00151899280000 -0.03568699820000
0.00088501050000 -0.00038564330000 0.00013643990000 -0.00008248300000 0.00016449420000 -0.00022287890000 0.00022049940000 -0.00090346800000 0.00103870910000 -0.00601714120000 -0.00591087410000 0.09502741430000
0.00468575470000 -0.00205579590000 0.00072865580000 -0.00043249710000 0.00084899780000 -0.00129285460000 0.00248939940000 -0.00222717020000 0.01502406660000 0.01035396560000 0.11666934770000 -0.33399396740000
0.02012703840000 -0.00889951550000 0.00315583530000 -0.00191942370000 0.00385103390000 -0.00505587720000 0.00351795640000 -0.02456937200000 0.01949994110000 -0.21394307970000 -0.27395837980000 -1.59489068160000
0.07019880810000 -0.03187134950000 0.01136330820000 -0.00672208020000 0.01316994810000 -0.02077841680000 0.04469889720000 -0.02622262760000 0.29798331990000 0.26094444310000 2.72693073150000 2.84799239200000
0.18831110620000 -0.08882500840000 0.03183602610000 -0.01954986510000 0.03969020770000 -0.05111123650000 0.02043048010000 -0.30822370210000 0.21765144070000 -2.67987973280000 -4.87234973440000 -2.73084766640000
0.35740948800000 -0.18018810250000 0.06550438030000 -0.03839625220000 0.07455600390000 -0.12658260010000 0.33803569710000 0.02572057300000 1.42262237650000 5.81305889220000 4.90456593600000 2.04911167440000
0.38126793190000 -0.18763191050000 0.06739631570000 -0.04350073760000 0.09129726620000 -0.07514924880000 -0.32600565980000 -1.36872731510000 -4.60202804540000 -6.74141470360000 -3.69386982070000 -1.38089939610000
0.15290120770000 0.10848191590000 -0.05687919050000 0.04611619270000 -0.12295004640000 0.10871418530000 0.79685025760000 4.75135216720000 5.64398301220000 5.51466708020000 2.40206053040000 0.88378190080000
0.01447843830000 0.52480273590000 -0.25800999010000 0.14815219520000 -0.27812332250000 0.70274807140000 -3.40565494150000 -6.20764595980000 -4.36761840290000 -3.62432230970000 -1.44325485440000 -0.53943956170000
0.00226300510000 0.43731450580000 -0.24557669390000 0.19013995170000 -0.41875291650000 -0.15905014440000 5.73302246430000 4.77199164570000 2.57549106240000 2.04946612680000 0.80749364640000 0.30687791810000
-0.00018510170000 0.06716234890000 0.29924438580000 -0.38920415860000 1.34889226330000 -2.10255890400000 -5.34594154460000 -2.62816412030000 -1.27934149190000 -1.02652183560000 -0.41121315740000 -0.15792981080000
0.00014193380000 0.00253980790000 0.65940085330000 -0.39053473650000 -0.15986172770000 3.28170446250000 3.40445302450000 1.16065284000000 0.55995600890000 0.45633641890000 0.18578265030000 0.07175282350000
-0.00006880690000 -0.00037507080000 0.24856582230000 0.23009845140000 -1.50957658400000 -2.63076873360000 -1.68357055690000 -0.44810840330000 -0.22091243420000 -0.18154613670000 -0.07457414810000 -0.02887934840000
0.00001949260000 0.00017543260000 0.00222927920000 0.88243599050000 1.20969069150000 1.12229989470000 0.56883464130000 0.13348234800000 0.06674851680000 0.05498458320000 0.02266169830000 0.00878490070000
* d-type functions
12 10
777.53670347
231.42408075
86.35756864
36.98326973
16.99921211
7.98004012
3.68917195
1.63450947
0.67887873
0.25882778
0.08842993
0.03021257
0.00104474890000 -0.00026391120000 0.00030568280000 -0.00028908620000 0.00030657220000 -0.00030619020000 0.00082214580000 -0.00557483710000 0.05111853690000 -0.15746172930000
0.00913916230000 -0.00232233400000 0.00257817950000 -0.00218593890000 0.00380987150000 -0.00636904940000 0.01585552840000 -0.00338970570000 -0.11884210630000 1.70981853830000
0.04570943130000 -0.01165970730000 0.01340647280000 -0.01241071890000 0.01410835580000 -0.01581348240000 0.04417808670000 -0.23553048770000 1.95609876630000 -2.02007671620000
0.14392489250000 -0.03726518970000 0.04094975450000 -0.03315416900000 0.06062156850000 -0.10580766780000 0.27763646150000 -0.07456400730000 -2.47007030900000 1.62161323980000
0.29486384290000 -0.07578758670000 0.09081428140000 -0.09443477500000 0.09781964780000 -0.08254663690000 0.14208971010000 -1.44662135200000 1.63243252350000 -1.08270419140000
0.39431105260000 -0.09662001670000 0.10769998570000 -0.09476196910000 0.20296066400000 -0.37486458500000 0.67706693290000 3.22610707090000 -0.76296599160000 0.63952968190000
0.29409092840000 -0.03721520380000 0.07995886110000 -0.18897046810000 -0.07299091350000 0.61208060890000 -2.40974397130000 -3.09260091950000 0.32071156210000 -0.34210066600000
0.07522542530000 0.19028081850000 -0.40589912580000 0.83963719360000 -1.00099564400000 0.45919577140000 2.66889569360000 1.97136463500000 -0.14040970460000 0.16675620510000
0.00323207920000 0.42817541990000 -0.48988472000000 -0.10421487720000 1.24082697870000 -1.43232149360000 -1.90627786670000 -1.01600854520000 0.06168484550000 -0.07441879750000
0.00039446320000 0.45229611870000 0.37109910330000 -0.88811320660000 -0.38005939520000 1.61662975730000 1.14482577700000 0.46146285000000 -0.02553444790000 0.03067397500000
-0.00006760030000 0.17880093500000 0.59119655520000 0.65076062770000 -0.59570253530000 -1.42573849720000 -0.62127869350000 -0.19686819490000 0.00999763230000 -0.01198039230000
0.00003208430000 -0.01623705060000 0.08253880580000 0.36109828150000 0.91940440810000 0.92228333770000 0.25450194470000 0.07047048130000 -0.00328368320000 0.00393819030000
* f-type functions
6 6
3.04590922
2.14977887
1.24492717
0.60065854
0.26594954
0.10375085
0.05261512080000 -0.06221484740000 0.40625089150000 -0.65053386680000 0.79206959140000 -5.31303364690000
0.02712810980000 0.25662903540000 -1.20904364350000 2.19216836100000 -3.39385524390000 8.00267100000000
0.30602696850000 0.49730152750000 -0.06867200110000 -1.61356754260000 4.36437084680000 -4.50942442850000
0.41755691460000 0.13051277180000 0.94082283530000 -0.29364371730000 -3.25623122820000 1.83141918920000
0.34725588650000 -0.56875726160000 -0.05770869720000 1.26365325380000 1.90139195080000 -0.69513344440000
0.11776034010000 -0.38777584650000 -0.62279217970000 -0.98905312010000 -0.75888296820000 0.20161035380000
* g-type functions
5 5
3.90783413
2.10301599
1.05208870
0.48153799
0.18010444
0.01661188520000 -0.07026517850000 0.12301557510000 -0.11242977920000 1.93673227840000
-0.17940573790000 0.54521956420000 -0.99184499020000 -1.19437412460000 -2.44318024190000
-0.43793601940000 0.42550197000000 0.52244243410000 2.00012328450000 1.62968713600000
-0.43533670870000 -0.46216281280000 0.62397971930000 -1.56588794640000 -0.77631626530000
-0.22940104160000 -0.51247152840000 -0.86703780350000 0.71123155140000 0.25500011410000
* h-type functions
3 3
2.62752543
1.27769535
0.61595756
0.18038775090000 -0.31804966310000 1.40783968480000
0.58178651170000 -0.74719734990000 -1.62786786930000
0.39729783140000 1.13309355230000 0.80162744330000
/Mo.ANO-R.Zobel.23s16p12d6f5g3h.16s12p11d6f5g3h.
J.P. Zobel, P.-O. Widmark, V. Veryazov. J. Chem. Theory Comput. 16 (2020) 278-294. doi:10.1021/acs.jctc.9b00873
MOLYBDENUM (23s,16p,12d,6f,5g,3h) -> [16s,12p,11d,6f,5g,3h]
42.0 5
* s-type functions
23 16
40864736.00400000
6880619.61990000
1462394.88780000
374196.04299000
110859.44778000
36840.52710600
13390.52677700
5219.43890150
2148.99286930
923.96373727
411.24437268
188.18106882
87.99900001
41.80104997
20.02956857
9.59582531
4.54310443
2.09313406
0.91983217
0.37580127
0.13822695
0.04399804
0.01400470
0.00008580510000 -0.00003078960000 0.00001415030000 -0.00000476060000 0.00000133020000 -0.00000043510000 0.00000295240000 -0.00000483070000 0.00000666680000 -0.00001170330000 0.00002093320000 -0.00005580190000 0.00007170720000 -0.00051620380000 0.00144706540000 -0.00049646150000
0.00026958140000 -0.00009677700000 0.00004448230000 -0.00001496420000 0.00000418100000 -0.00000136940000 0.00000927210000 -0.00001513140000 0.00002092690000 -0.00003797200000 0.00006225640000 -0.00017713720000 0.00028839380000 0.00294826730000 -0.00221759230000 -0.00427121100000
0.00073522370000 -0.00026418160000 0.00012145370000 -0.00004086500000 0.00001141990000 -0.00000373030000 0.00002536870000 -0.00004162040000 0.00005731570000 -0.00009706900000 0.00018988480000 -0.00047197420000 0.00067413640000 -0.00574002670000 0.00646249330000 -0.03675638560000
0.00182889510000 -0.00065857500000 0.00030295230000 -0.00010190620000 0.00002846760000 -0.00000934960000 0.00006301780000 -0.00010225550000 0.00014207530000 -0.00027620350000 0.00037163970000 -0.00124857520000 0.00169890270000 0.02543463350000 -0.01103185760000 0.31973496190000
0.00444232480000 -0.00160539660000 0.00073912500000 -0.00024880450000 0.00006955510000 -0.00002260670000 0.00015502320000 -0.00025697660000 0.00035106090000 -0.00051313100000 0.00138972720000 -0.00271997670000 0.00558871980000 -0.04181054860000 0.02670722160000 -1.02127305390000
0.01070250010000 -0.00389442350000 0.00179637610000 -0.00060409980000 0.00016866720000 -0.00005582010000 0.00037145000000 -0.00059257950000 0.00083456770000 -0.00193663430000 0.00131666100000 -0.00818785070000 0.00437709530000 0.14201058750000 0.27106805720000 1.90092428490000
0.02573829990000 -0.00947550850000 0.00438316410000 -0.00147723880000 0.00041331230000 -0.00013294680000 0.00092766470000 -0.00157196620000 0.00211230910000 -0.00205683130000 0.01122052970000 -0.01450441470000 0.05876229830000 -0.32017021410000 -0.84069859290000 -4.13731518030000
0.06062444650000 -0.02287214520000 0.01064822100000 -0.00358083290000 0.00099895710000 -0.00033469400000 0.00218095840000 -0.00337640390000 0.00487105740000 -0.01447226430000 -0.00100865210000 -0.05817023960000 -0.02088877280000 1.11542531060000 2.54668407910000 7.80738613110000
0.13426868930000 -0.05319238810000 0.02506405090000 -0.00847357330000 0.00237400590000 -0.00075239000000 0.00538286070000 -0.00941035260000 0.01237195790000 -0.00362299460000 0.08911705720000 -0.07757785130000 0.58904070390000 -1.02692593830000 -1.09248026220000 -1.160989133530e1
0.25578694680000 -0.11265203280000 0.05447747860000 -0.01837572410000 0.00512141800000 -0.00174835750000 0.01103150450000 -0.01624889880000 0.02444679790000 -0.09870472420000 -0.07374080110000 -0.37489234850000 -0.66906289470000 3.66530382810000 -3.69068229990000 13.28532593980000
0.35239667930000 -0.19161670480000 0.09730035380000 -0.03334335440000 0.00937685700000 -0.00286723930000 0.02178175760000 -0.04080802820000 0.05142973500000 0.06116210440000 0.59311122590000 -0.16292309770000 3.42847018840000 -9.12793244070000 7.02923779450000 -1.211731330840e1
0.25092514940000 -0.18473130970000 0.10109752640000 -0.03458449140000 0.00956784390000 -0.00366596470000 0.01873306260000 -0.01715135380000 0.03854667830000 -0.48368423400000 -0.99199577540000 -1.10602766710000 -1.006501888830e1 12.29636654300000 -7.25243189420000 9.53766714990000
0.05690397220000 0.11275007720000 -0.08009933290000 0.02801916320000 -0.00757445920000 0.00381981310000 -0.01036615010000 -0.01741038600000 -0.01462514110000 1.08835833390000 2.84654308370000 7.18495306640000 14.92832103310000 -1.172545511180e1 5.82666844900000 -6.96300056930000
0.01782682510000 0.55020015010000 -0.49357663100000 0.19856738320000 -0.05706940440000 0.01552677600000 -0.14351710490000 0.32316241610000 -0.38785716660000 -1.65796991810000 -9.33758419560000 -1.202380151220e1 -1.476980664940e1 9.18809339580000 -4.16977161320000 4.88954221310000
0.01025721160000 0.38162808820000 -0.48967416330000 0.20783254770000 -0.05793639390000 0.02617334280000 -0.09859921610000 -0.01076174990000 -0.16521357300000 5.59856914270000 15.67873555770000 11.40196765330000 11.32250609530000 -6.36556448940000 2.79224691230000 -3.30423295280000
0.00427790530000 0.07890257430000 0.39512381460000 -0.21023146790000 0.05829887720000 -0.03437542040000 0.07053479790000 0.23713097930000 0.10572187680000 -1.227205599110e1 -1.561870462760e1 -7.85973350500000 -7.33738701410000 4.02159434730000 -1.75769943910000 2.11028211950000
0.00481489640000 0.06682445360000 0.80591656470000 -0.75386210270000 0.24723244510000 -0.05171371990000 0.72621916810000 -2.25418878880000 3.67322671540000 15.00946080390000 10.89443726230000 4.49723431820000 4.22246626230000 -2.33224376460000 1.02636427500000 -1.24667254880000
0.00109950470000 0.01066453220000 0.16864130510000 -0.05690466060000 -0.00102483560000 -0.05810977540000 -0.19581014130000 2.56024728310000 -8.30437785310000 -1.193803305090e1 -6.03501469760000 -2.29057360000000 -2.20225877130000 1.23421026480000 -0.54709214350000 0.66943049310000
-0.00005675180000 0.00115064560000 -0.00245709750000 0.94041863360000 -0.39873261170000 0.25507628810000 -1.46450963940000 0.81298139170000 9.06721210200000 7.09591756980000 2.87978707570000 1.06497319520000 1.04337374450000 -0.59102544760000 0.26321607960000 -0.32335818180000
0.00001516770000 -0.00036013720000 0.00043013840000 0.37213538110000 -0.36315492840000 -0.11190269420000 0.66562638590000 -3.78487040740000 -6.48356797430000 -3.47825557510000 -1.23336768360000 -0.45292325060000 -0.44819795900000 0.25532885010000 -0.11398496950000 0.14029537210000
-0.00000734090000 0.00017987490000 -0.00024629290000 -0.00726357610000 0.49892759440000 0.28032171410000 1.82148985470000 3.68587766270000 3.46125333010000 1.47958262770000 0.48249420020000 0.17651639390000 0.17542639920000 -0.10018307770000 0.04477076930000 -0.05514941310000
0.00000239460000 -0.00006917250000 0.00003298580000 0.00438078980000 0.77676086740000 -1.53044614540000 -2.12638076450000 -2.10468813890000 -1.49335901060000 -0.56590725380000 -0.17665868640000 -0.06450773460000 -0.06420843340000 0.03670164760000 -0.01640793530000 0.02021771940000
-0.00000072760000 0.00001956180000 -0.00001841840000 -0.00157322420000 0.00618890610000 1.74645755730000 0.76025800400000 0.65448981900000 0.43981577560000 0.16359085610000 0.05096009510000 0.01864013860000 0.01855546600000 -0.01060850030000 0.00474314550000 -0.00584504770000
* p-type functions
16 12
131886.92114000
22537.44950400
5553.04915320
1766.85686370
667.73996267
281.99289203
127.52634288
60.03965665
28.90414308
14.06227649
6.84731755
3.29820140
1.54382245
0.68284777
0.27358494
0.10961260
0.00009172960000 -0.00004036520000 0.00001456690000 -0.00000916780000 0.00001676660000 -0.00002277730000 0.00002607390000 -0.00006275540000 0.00008024660000 -0.00028509060000 0.00004138250000 -0.00906853500000
0.00048017610000 -0.00021189770000 0.00007659780000 -0.00004804210000 0.00008872740000 -0.00013011250000 0.00017548450000 -0.00026586200000 0.00106830030000 -0.00056871280000 0.00544225960000 0.03488172260000
0.00242994480000 -0.00107429750000 0.00038765920000 -0.00024466830000 0.00044469180000 -0.00056996640000 0.00055672210000 -0.00191133950000 -0.00001622700000 -0.01148403050000 -0.01112778830000 -0.19211654940000
0.01052503160000 -0.00469714560000 0.00170252700000 -0.00106608680000 0.00198100040000 -0.00303652050000 0.00442648310000 -0.00503099390000 0.03274752390000 -0.00543285230000 0.18815691350000 0.36062828650000
0.03833567630000 -0.01733018560000 0.00627372750000 -0.00397169920000 0.00719738830000 -0.00885544310000 0.00750222820000 -0.03398459470000 -0.01991169060000 -0.25683384200000 -0.23013764060000 -2.79594594550000
0.11403272070000 -0.05338034230000 0.01952362950000 -0.01223588090000 0.02293978420000 -0.03676664330000 0.05709799600000 -0.05276345430000 0.49004244920000 0.00025680940000 2.81116855200000 4.91143220350000
0.25713773500000 -0.12592183870000 0.04618793500000 -0.02945740160000 0.05331917680000 -0.06189330650000 0.03915380900000 -0.29677798040000 -0.40620852760000 -2.30467569130000 -5.94750909240000 -5.12957859520000
0.38887165510000 -0.20378666570000 0.07642417810000 -0.04770800100000 0.09122073860000 -0.16515689680000 0.30354408150000 -0.12507540150000 2.33183305340000 5.88639032870000 6.75276246670000 4.15354993900000
0.29630905080000 -0.10903712200000 0.03505184510000 -0.02280175530000 0.03062603590000 0.06638131000000 -0.36811308490000 -0.66172810620000 -6.27499496960000 -7.17615944250000 -5.47907297380000 -2.94391585790000
0.07672855900000 0.26245131780000 -0.12664605330000 0.09315749220000 -0.18050383290000 0.10131079450000 0.46293272730000 4.32774031740000 8.17255449190000 6.07529119800000 3.68698928370000 1.93405404590000
0.00702986680000 0.54959313980000 -0.29867287440000 0.18831789760000 -0.37552833260000 0.99321450740000 -2.75659890090000 -6.96860953540000 -6.89188747460000 -4.15876655010000 -2.23687186380000 -1.19356089590000
0.00101348150000 0.30680628590000 -0.13479880840000 0.09987510060000 -0.06954722450000 -1.29171842670000 5.74874929550000 6.14692844270000 4.36424024270000 2.44410146750000 1.25177920250000 0.68084340090000
0.00025459780000 0.02822557060000 0.43136702930000 -0.54502105070000 1.41829828490000 -0.82420566340000 -6.25070150490000 -3.72591535810000 -2.25944954930000 -1.25229596420000 -0.63441308350000 -0.34891293370000
-0.00010791550000 0.00310982750000 0.59120503760000 -0.22543978810000 -0.73404921550000 2.75188660490000 4.47870840240000 1.74135709350000 1.00163803490000 0.55864831580000 0.28356759080000 0.15675216290000
0.00003438830000 -0.00080728450000 0.17646191380000 0.35364818280000 -1.11770593240000 -2.72044081640000 -2.41122286440000 -0.68652066590000 -0.39318803440000 -0.22010236440000 -0.11204646010000 -0.06206778050000
-0.00001209230000 0.00028796580000 0.00074803560000 0.76480040000000 1.17203129800000 1.26768412750000 0.84957237590000 0.20320057640000 0.11697422970000 0.06550319330000 0.03338941920000 0.01850942700000
* d-type functions
12 11
842.55245388
249.97806973
93.31512547
39.99234693
18.39716451
8.65679564
4.02671949
1.80519912
0.76325629
0.29740125
0.10366340
0.03613334
0.00102041310000 -0.00027247510000 0.00028284230000 -0.00027464000000 0.00029568160000 -0.00042289270000 0.00070959430000 -0.00547931750000 0.00189004310000 -0.04967080300000 0.14588296210000
0.00893552830000 -0.00240225320000 0.00243095840000 -0.00214821220000 0.00281105790000 -0.00662346570000 0.01531622150000 -0.00281535090000 0.10329104960000 0.16405547890000 -1.70357279310000
0.04490422200000 -0.01211416980000 0.01253175010000 -0.01199084610000 0.01321152130000 -0.02074332020000 0.03900528280000 -0.23308982940000 0.23685651850000 -2.02765142520000 2.03315842190000
0.14260022810000 -0.03909801700000 0.03938363190000 -0.03385734780000 0.04442362580000 -0.10995960980000 0.27231208260000 -0.06188080690000 1.51576685830000 3.37227752970000 -1.66324351160000
0.29488487620000 -0.08024734900000 0.08521415860000 -0.08783844910000 0.09740044630000 -0.12622262830000 0.12096914700000 -1.49965800570000 -3.19273025790000 -3.21624284690000 1.14018786810000
0.39593909420000 -0.10271562770000 0.10310053830000 -0.08988080440000 0.13296930250000 -0.35288423070000 0.75789014060000 3.31962228790000 3.02773166630000 2.20365518790000 -0.69266340290000
0.29262747920000 -0.03659140040000 0.05599794010000 -0.13121743010000 0.07321301380000 0.50421221960000 -2.56956566120000 -3.19406520760000 -1.90539067590000 -1.21887372210000 0.38014977430000
0.07352891470000 0.20201831860000 -0.34718598770000 0.63494977480000 -0.92114247710000 0.86329059110000 2.87012094840000 2.03709533960000 0.95364974650000 0.59141857990000 -0.18961693000000
0.00336119020000 0.43140675480000 -0.45342077410000 0.09038722960000 0.63448877350000 -1.92559193860000 -2.03601567970000 -1.03888669830000 -0.42254060990000 -0.26307885670000 0.08624877640000
0.00026839220000 0.43695679520000 0.28179920690000 -0.73809637740000 0.53080889990000 1.82098810340000 1.16603538430000 0.45843611210000 0.17308073940000 0.10856363390000 -0.03595475830000
-0.00005915410000 0.17263570000000 0.59962829730000 0.10588566830000 -1.26860960950000 -1.23059975160000 -0.57567536600000 -0.18465692080000 -0.06735722790000 -0.04243596610000 0.01409879230000
0.00002048450000 -0.01079069420000 0.19814129160000 0.75970739080000 1.00269081690000 0.55577077850000 0.20374319160000 0.06091203470000 0.02204851260000 0.01392015580000 -0.00463102250000
* f-type functions
6 6
3.52125305
2.45346576
1.43821584
0.71047813
0.32086498
0.12870999
0.05478739390000 -0.06811258620000 0.40144574250000 -0.68085292700000 1.10906221430000 -5.13437967690000
0.02115254910000 0.24170464650000 -1.10753316380000 2.15981834020000 -4.13898860050000 7.82538189130000
0.29558125920000 0.49989795080000 -0.21191469080000 -1.38374865430000 5.05617463610000 -4.56063272000000
0.41525631850000 0.15570460540000 0.95609459680000 -0.62518062250000 -3.59482972800000 1.85727067390000
0.35124927610000 -0.55120011680000 0.04848479940000 1.47690824150000 1.98326937440000 -0.68513778180000
0.12129729450000 -0.41819884470000 -0.68753144990000 -1.02633086970000 -0.74399308040000 0.19270419850000
* g-type functions
5 5
2.45265680
3.43300335
1.28288238
0.59694653
0.23250428
0.20016351800000 -0.63456391160000 1.08829989450000 -1.83671817350000 5.23669084690000
-0.04111103190000 0.16830772510000 -0.31446331250000 0.19999276510000 -4.03523267690000
0.48708473210000 -0.38014907800000 -0.29903998310000 2.43674083380000 -2.43998956640000
0.42059484660000 0.49767137490000 -0.84926706830000 -1.65140452430000 0.97726553510000
0.14595559790000 0.53262402870000 0.98531777870000 0.65745334360000 -0.29276087900000
* h-type functions
3 3
1.61528950
0.80291158
0.32455018
0.63664082430000 -0.56885699660000 1.15951637410000
0.36058838540000 0.09358943610000 -1.63037412770000
0.19979890930000 0.89681667300000 0.83850554310000
/Tc.ANO-R.Zobel.23s16p12d6f4g3h.15s12p12d6f4g3h.
J.P. Zobel, P.-O. Widmark, V. Veryazov. J. Chem. Theory Comput. 16 (2020) 278-294. doi:10.1021/acs.jctc.9b00873
TECHNETIUM (23s,16p,12d,6f,4g,3h) -> [15s,12p,12d,6f,4g,3h]
43.0 5
* s-type functions
23 15
41231534.24200000
7012110.36010000
1494698.73510000
381960.12102000
112773.52996000
37326.07539500
13517.22552300
5253.94407580
2159.20152780
927.40243828
412.54880240
188.67791665
88.14366024
41.79125229
19.96432472
9.52436931
4.48631584
2.05605151
0.89966673
0.36700882
0.13549668
0.04365672
0.01406610
0.00009361580000 -0.00002871980000 0.00001620920000 -0.00000522710000 0.00000151540000 -0.00000225620000 0.00000484820000 -0.00000678870000 0.00000384630000 -0.00001092430000 0.00002274530000 -0.00005868550000 0.00002854850000 -0.00036119360000 0.00570215030000
0.00029131310000 -0.00008941660000 0.00005046940000 -0.00001627490000 0.00000471810000 -0.00000702280000 0.00001505980000 -0.00002114830000 0.00001206080000 -0.00003513510000 0.00006767720000 -0.00019136390000 0.00033094910000 0.00185064160000 -0.02341450170000
0.00079301680000 -0.00024366840000 0.00013753890000 -0.00004435860000 0.00001286120000 -0.00001915220000 0.00004124270000 -0.00005758150000 0.00003240430000 -0.00008955220000 0.00020193860000 -0.00049071560000 0.00016794130000 0.00012644020000 0.07148538190000
0.00196991630000 -0.00060683560000 0.00034264170000 -0.00011049580000 0.00003202910000 -0.00004765320000 0.00010173560000 -0.00014374490000 0.00008311650000 -0.00025482910000 0.00041379660000 -0.00132852810000 0.00241746310000 0.00469299500000 -0.23768397020000
0.00478246000000 -0.00147936060000 0.00083543640000 -0.00026957400000 0.00007817900000 -0.00011651890000 0.00025296440000 -0.00034935110000 0.00019153200000 -0.00047205030000 0.00143266510000 -0.00290698730000 0.00259309500000 0.00801184180000 0.58612231210000
0.01151387450000 -0.00359089790000 0.00202999240000 -0.00065472630000 0.00018972220000 -0.00028190540000 0.00059394770000 -0.00085427940000 0.00051349100000 -0.00178817240000 0.00167072760000 -0.00833667200000 0.00567082910000 -0.01323954210000 -1.35516795060000
0.02764782080000 -0.00873979290000 0.00494421960000 -0.00159764020000 0.00046359150000 -0.00069220520000 0.00152975260000 -0.00206414570000 0.00106614030000 -0.00186942750000 0.01115026220000 -0.01643136080000 0.04329509800000 0.01092422680000 3.90518424230000
0.06491995310000 -0.02112367240000 0.01198895230000 -0.00387090490000 0.00112114920000 -0.00166230330000 0.00342111890000 -0.00507649150000 0.00324967350000 -0.01339678140000 0.00199143780000 -0.05602979820000 -0.03383619720000 0.96988404440000 -7.76510839030000
0.14285753720000 -0.04917507450000 0.02803119890000 -0.00909832540000 0.00264274790000 -0.00395697630000 0.00897852210000 -0.01172268640000 0.00549945810000 -0.00281373580000 0.08641431330000 -0.09310065120000 0.50711147120000 -0.68532424730000 11.47329555540000
0.26892835100000 -0.10458203750000 0.06040252080000 -0.01963377610000 0.00568443490000 -0.00840043840000 0.01662530060000 -0.02600850150000 0.01827472710000 -0.09127715410000 -0.05322748190000 -0.34851797830000 -0.77283420630000 2.57407601100000 -1.314477319490e1
0.36180000830000 -0.17775489220000 0.10519132860000 -0.03480036590000 0.01013946790000 -0.01529161440000 0.03694467940000 -0.04486936900000 0.01589625290000 0.06229143860000 0.55699112140000 -0.35269397530000 3.91730156610000 -7.21072437150000 12.18432822320000
0.24584824480000 -0.16400265080000 0.10236229660000 -0.03411634880000 0.00983356950000 -0.01416848650000 0.01971319670000 -0.04739012350000 0.05297839590000 -0.44241300740000 -0.89581685650000 -0.46460009610000 -1.085133575020e1 9.74094277420000 -9.81312774190000
0.04338999870000 0.14623872030000 -0.10884973580000 0.03824682680000 -0.01095595120000 0.01508040270000 -0.00496537580000 0.05761914330000 -0.09927370070000 1.02533606760000 2.47853804950000 6.22781271900000 15.97564997940000 -9.02388302240000 7.29697017480000
-0.00609428270000 0.55502653670000 -0.53815514150000 0.21513650000000 -0.06394133340000 0.09914566200000 -0.28367291770000 0.30877702130000 -0.03002818260000 -1.59777578280000 -8.65457056340000 -1.121975912600e1 -1.588272555730e1 6.86244467040000 -5.16054218810000
-0.00553282970000 0.33973537030000 -0.46232606700000 0.19817330290000 -0.05795891930000 0.08081146720000 -0.03374616820000 0.30285300540000 -0.51313032270000 5.29059845550000 14.93339836280000 10.96211896440000 12.22586863380000 -4.66181565660000 3.47832418580000
0.00017431490000 0.08481129370000 0.49395256300000 -0.28195834290000 0.08434708270000 -0.11667246850000 -0.03176064650000 -0.61016393460000 1.13516226890000 -1.178105578450e1 -1.498674283780e1 -7.69536335200000 -7.93491705000000 2.91881668510000 -2.20710521480000
-0.00005598440000 0.08072190770000 0.77378364850000 -0.78985144760000 0.26884623940000 -0.45553528630000 1.80258835000000 -2.48822394140000 0.21061690250000 14.89527419860000 10.42068117190000 4.46378404560000 4.57251341770000 -1.69005779960000 1.29743226980000
0.00025502850000 0.00895719230000 0.11399922710000 0.12803309530000 -0.06732733400000 0.17210202000000 -2.05826965350000 6.50366415480000 -2.96223044050000 -1.240107910780e1 -5.74072041480000 -2.29996181460000 -2.39431978080000 0.89788523190000 -0.69672472280000
-0.00011531170000 0.00089623380000 -0.00213235610000 0.94765801000000 -0.44774986890000 0.95326229560000 -1.13989546340000 -6.82836666770000 4.74860560270000 7.79976304960000 2.73481302150000 1.08216574990000 1.14407979100000 -0.43391336470000 0.33875723950000
0.00004050830000 -0.00073685770000 -0.00276525890000 0.27429910030000 -0.31407630180000 -0.20376540790000 3.55615830880000 3.97516541990000 -4.90203502680000 -4.08822257960000 -1.17618487120000 -0.46701463300000 -0.49814609760000 0.19010771270000 -0.14886207410000
-0.00001787230000 0.00026057990000 0.00070184100000 -0.00951341440000 0.66975786110000 -1.72838625930000 -2.60974392800000 -0.95891295000000 4.20024215060000 1.89646594180000 0.46403076920000 0.18510856870000 0.19824845810000 -0.07587184270000 0.05948895680000
0.00000673690000 -0.00010641030000 -0.00029157110000 0.00145983080000 0.65037343570000 1.30857020190000 0.60788461960000 -0.73971094760000 -3.36921077170000 -0.83014551050000 -0.17077899150000 -0.06850297980000 -0.07350062480000 0.02816414050000 -0.02209428550000
-0.00000193000000 0.00002960660000 0.00008432480000 -0.00102610290000 -0.01964502720000 0.19679850920000 0.33338607050000 0.84720045810000 1.85905884140000 0.28793293360000 0.04888516620000 0.01977059320000 0.02123636330000 -0.00814260350000 0.00638895120000
* p-type functions
16 12
149165.68402000
25308.04245700
6193.01987640
1958.93022000
736.98891343
310.29299000
140.10127225
65.94227162
31.77521689
15.49107246
7.56795612
3.66304573
1.72670144
0.77158914
0.31378059
0.12760452
0.00008994140000 -0.00003862370000 0.00001466810000 -0.00001030860000 0.00001676780000 -0.00002244940000 0.00002673240000 -0.00006312860000 0.00006948550000 -0.00026817370000 0.00000834010000 -0.00944540560000
0.00046327810000 -0.00019952550000 0.00007589510000 -0.00005314960000 0.00008739860000 -0.00012580060000 0.00017903300000 -0.00013441860000 0.00099732400000 -0.00026137550000 0.00551839110000 0.03275556700000
0.00231250760000 -0.00099776870000 0.00037883780000 -0.00026707420000 0.00043128100000 -0.00054518780000 0.00054095440000 -0.00234510610000 -0.00044124600000 -0.01133754140000 -0.01330217280000 -0.16977618060000
0.00995980230000 -0.00433818900000 0.00165416940000 -0.00115621440000 0.00191512020000 -0.00288298210000 0.00448555150000 -0.00033312710000 0.03060040210000 0.00693679040000 0.18942155690000 0.47323745340000
0.03632748320000 -0.01602255960000 0.00609898180000 -0.00431435160000 0.00694102770000 -0.00841354710000 0.00701186800000 -0.04657002410000 -0.03065369490000 -0.25035502990000 -0.30039171890000 -2.97676158960000
0.10898201480000 -0.04977007640000 0.01912479020000 -0.01337820230000 0.02238185100000 -0.03519151990000 0.05869258130000 0.02027272340000 0.46451879750000 0.14440869980000 2.97735691150000 4.96377948680000
0.24955737530000 -0.11922807400000 0.04588896220000 -0.03272252600000 0.05257982260000 -0.06031709760000 0.03566026120000 -0.46141482540000 -0.47690271310000 -2.68370138000000 -5.93525781290000 -5.05740620650000
0.38757660330000 -0.19854260910000 0.07803192060000 -0.05438614720000 0.09305900060000 -0.16435662500000 0.32682566190000 0.45604600750000 2.73296624020000 6.19157660820000 6.48179893620000 4.07377780240000
0.30900994230000 -0.11895565240000 0.04168537880000 -0.03046534440000 0.03736187920000 0.05276750840000 -0.39358956570000 -1.88087342760000 -6.66592842920000 -7.08930635930000 -5.15485352300000 -2.91196437150000
0.08293017410000 0.24211441030000 -0.12038992570000 0.10144941510000 -0.17632751240000 0.09654375390000 0.52631177270000 5.80209221490000 8.00612187850000 5.63260882600000 3.45345523050000 1.94065806470000
0.00120526360000 0.54990474010000 -0.30624523740000 0.21464543170000 -0.38725922540000 0.99523209050000 -2.93080731120000 -8.21165820290000 -6.26625279570000 -3.63769106720000 -2.10443850650000 -1.21539370650000
-0.00276499970000 0.32449221810000 -0.15337818720000 0.13254644120000 -0.08094008960000 -1.22710099680000 6.00893071800000 6.99261255210000 3.74302278110000 2.06158458820000 1.18779086990000 0.70277411910000
-0.00017657590000 0.03287944330000 0.42392476080000 -0.63247811430000 1.47069577200000 -0.95114296050000 -6.50549671890000 -4.21785135970000 -1.87400159800000 -1.04514027720000 -0.60848248460000 -0.36475502610000
-0.00013266940000 0.00329666890000 0.59594948990000 -0.25717619000000 -0.84782610850000 2.91211427860000 4.65555908760000 1.98537187790000 0.82197051720000 0.46836082640000 0.27495983020000 0.16572591240000
0.00003649290000 -0.00081214150000 0.18461961690000 0.50024901750000 -1.04188020270000 -2.87807754320000 -2.49803235650000 -0.78850416890000 -0.32178100820000 -0.18540567770000 -0.10930048580000 -0.06600651350000
-0.00001367920000 0.00029723430000 0.00262409900000 0.65058191390000 1.21330654060000 1.36366441770000 0.87525587300000 0.23280201550000 0.09489381210000 0.05487167610000 0.03240837150000 0.01958306780000
* d-type functions
12 12
998.30890238
294.51541973
110.10989403
47.32522928
21.84426890
10.34510105
4.87739984
2.24036373
0.98276047
0.40140902
0.14703572
0.05385904
0.00083224940000 -0.00023621560000 0.00025426080000 -0.00031497040000 0.00047473900000 -0.00031997880000 0.00043844250000 -0.00482442930000 0.00320811680000 -0.05967449940000 0.03594046630000 -1.28638299580000
0.00734097090000 -0.00209403220000 0.00217665900000 -0.00230314650000 0.00499509370000 -0.00599013850000 0.01412032740000 -0.00073934240000 -0.07192266870000 0.19396434600000 -1.61597741250000 1.15654846790000
0.03776238930000 -0.01082341600000 0.01160655130000 -0.01414431690000 0.02264447070000 -0.01726238700000 0.02818445460000 -0.20747922600000 -0.04882023410000 -2.11143265700000 1.93914392980000 -0.90841247570000
0.12448826680000 -0.03619195720000 0.03747178750000 -0.03851772200000 0.08622534430000 -0.10855341170000 0.26802946020000 -0.07741665890000 -1.90199892540000 3.25855452520000 -1.64081223390000 0.69336368050000
0.27300460220000 -0.07939503140000 0.08714743240000 -0.11394479230000 0.17231614460000 -0.09881733500000 0.07366767290000 -1.57507839980000 3.60951438590000 -2.95866250840000 1.20001911760000 -0.49841578600000
0.39000914310000 -0.10846295000000 0.11044313270000 -0.10482188250000 0.24257371700000 -0.35246377540000 0.88574679240000 3.49854176950000 -3.39777517900000 2.01236846240000 -0.77972097570000 0.32675675620000
0.31813402150000 -0.05732948910000 0.08125477410000 -0.20384362230000 -0.10499652970000 0.76659016370000 -2.79200428280000 -3.43949987220000 2.19771974360000 -1.14976866280000 0.45270884270000 -0.19283317350000
0.09654700400000 0.17101338920000 -0.29995039590000 0.79054390490000 -1.33268061670000 0.06558021070000 3.27959378340000 2.24190460100000 -1.14828003920000 0.58797231690000 -0.23699673140000 0.10231590540000
0.00624651260000 0.40804638680000 -0.52561823230000 0.15022917550000 1.75135595530000 -1.18910616200000 -2.52572256440000 -1.15793232340000 0.52995171510000 -0.27476215290000 0.11233699170000 -0.04885065820000
0.00045972180000 0.43780936050000 0.19526103690000 -1.06761219910000 -0.73692657700000 1.72553171150000 1.58565582750000 0.51604624310000 -0.22294578900000 0.11703479310000 -0.04816301470000 0.02100436170000
-0.00006379700000 0.21390661320000 0.64931087410000 0.47723546420000 -0.37598101530000 -1.74119654130000 -0.89641323250000 -0.21195368680000 0.08786423060000 -0.04633839420000 0.01913080000000 -0.00835110760000
0.00003751330000 0.01112244040000 0.18630532370000 0.45928826890000 0.67904466100000 1.14965865530000 0.39478225560000 0.07233001910000 -0.02875019100000 0.01510961600000 -0.00625919920000 0.00273346500000
* f-type functions
6 6
3.62963355
2.37663289
1.33802593
0.65958915
0.31044657
0.13519652
0.06326618450000 -0.04995709460000 0.30356732120000 -0.25570694240000 3.21498904240000 -2.55953153670000
0.06740286340000 0.36108146710000 -1.33519409820000 1.77403050760000 -4.03445367400000 5.57511223860000
0.35035807810000 0.48554252540000 0.34503371840000 -1.93375275790000 1.37478792160000 -5.61946577230000
0.40190911030000 -0.05492502540000 0.89067694950000 0.25557516520000 0.33007980070000 4.19933483770000
0.28104550600000 -0.55687022850000 -0.24628390570000 1.12306609310000 -0.71072406990000 -2.59080630900000
0.09092680290000 -0.32254514050000 -0.56560759370000 -1.06886212650000 0.41165077080000 1.03515058150000
* g-type functions
4 4
3.21669125
1.25312235
0.56578755
0.22551285
0.13006848950000 -0.35933984790000 0.61379782070000 -1.06779702390000
0.62520339500000 -0.62881712000000 -0.12462251690000 1.54320565440000
0.33744349910000 0.73572090310000 -0.76687647510000 -1.41901262080000
0.13482909900000 0.37436404860000 1.01357963850000 0.72910372140000
* h-type functions
3 3
2.33238659
1.02377653
0.38535088
0.39940231220000 -0.68359959990000 0.99904873960000
0.60920526180000 0.10786746560000 -1.30131785440000
0.21287006120000 0.79418712740000 0.83794676100000
/Ru.ANO-R.Zobel.23s16p12d6f5g3h.15s12p11d6f5g3h.
J.P. Zobel, P.-O. Widmark, V. Veryazov. J. Chem. Theory Comput. 16 (2020) 278-294. doi:10.1021/acs.jctc.9b00873
RUTHENIUM (23s,16p,12d,6f,5g,3h) -> [15s,12p,11d,6f,5g,3h]
44.0 5
* s-type functions
23 15
42793248.83300000
7339165.43350000
1585543.79970000
411074.82485000
122939.74556000
41089.30707100
14970.62108100
5833.92752360
2397.22123120
1027.85036220
456.31299240
208.48904221
97.51285908
46.42127041
22.33407726
10.75694949
5.11991184
2.36664008
1.03838318
0.41992040
0.15083798
0.04598493
0.01401911
0.00009763420000 -0.00002966280000 0.00001603270000 -0.00000586990000 0.00000148570000 -0.00000336560000 0.00000533610000 -0.00000750100000 0.00000307750000 -0.00001316640000 0.00002536350000 -0.00005873000000 0.00007641760000 -0.00017195400000 0.00135438470000
0.00030419410000 -0.00009246770000 0.00004998170000 -0.00001829830000 0.00000463100000 -0.00001048540000 0.00001656580000 -0.00002339850000 0.00000972670000 -0.00004226220000 0.00007522200000 -0.00019165750000 0.00029757660000 -0.00050585840000 -0.00343925200000
0.00081297900000 -0.00024739920000 0.00013373210000 -0.00004896680000 0.00001239500000 -0.00002809410000 0.00004470360000 -0.00006253590000 0.00002530930000 -0.00010649800000 0.00022221050000 -0.00048263230000 0.00085086820000 0.00365030370000 -0.01341051890000
0.00198368600000 -0.00060521020000 0.00032724400000 -0.00011979770000 0.00003031330000 -0.00006855930000 0.00010749820000 -0.00015339790000 0.00006553740000 -0.00029374160000 0.00043928210000 -0.00129468100000 0.00107297200000 -0.01552246890000 -0.00501438370000
0.00473030130000 -0.00144937200000 0.00078381740000 -0.00028711790000 0.00007270740000 -0.00016513270000 0.00026637980000 -0.00036594190000 0.00014036750000 -0.00055037550000 0.00153786950000 -0.00267244870000 0.00666727180000 0.00248378850000 0.03832652270000
0.01120977640000 -0.00346272490000 0.00187436670000 -0.00068605880000 0.00017350900000 -0.00039116910000 0.00059964080000 -0.00088163780000 0.00040589890000 -0.00196404480000 0.00164195090000 -0.00819297020000 0.00385194830000 -0.07166047860000 -0.13115861650000
0.02660410500000 -0.00833033610000 0.00451214320000 -0.00165467720000 0.00041939730000 -0.00095676930000 0.00158896320000 -0.00210124130000 0.00070943680000 -0.00225044820000 0.01178596580000 -0.01396211240000 0.06202396190000 0.10249344080000 0.41697468580000
0.06209290630000 -0.01999522030000 0.01086147520000 -0.00397618420000 0.00100482740000 -0.00225303850000 0.00331781500000 -0.00514037530000 0.00265313880000 -0.01416166010000 0.00102011850000 -0.05611416560000 -0.04251688400000 -0.44176219730000 -0.33675508550000
0.13685939570000 -0.04656520590000 0.02539329760000 -0.00934020850000 0.00237121360000 -0.00544525930000 0.00942383760000 -0.01182233710000 0.00319462980000 -0.00515655680000 0.09097480760000 -0.07374600200000 0.62968452120000 -0.01604996170000 -3.42225363940000
0.26078609190000 -0.09979556190000 0.05505970680000 -0.02022290520000 0.00510735310000 -0.01135487670000 0.01562215630000 -0.02644748480000 0.01595465030000 -0.09482597220000 -0.06120944560000 -0.35805055480000 -0.88723269880000 -2.67179688830000 8.92708059460000
0.36146649850000 -0.17368682870000 0.09800960050000 -0.03652872820000 0.00931867370000 -0.02174778390000 0.04125469270000 -0.04623905170000 0.00507242270000 0.04994213370000 0.59872283120000 -0.10866614980000 3.95766034210000 8.23456271120000 -1.144420032000e1
0.26082318560000 -0.17143112710000 0.10169582550000 -0.03791108460000 0.00951337890000 -0.01991382990000 0.01351643320000 -0.05242107620000 0.05976257370000 -0.45701303110000 -0.96553255810000 -1.34168488600000 -1.074766411680e1 -1.133488639690e1 10.45246803780000
0.05150771170000 0.11718903310000 -0.08273660180000 0.03172366490000 -0.00780166030000 0.01334920470000 0.02543200230000 0.04969524050000 -0.11821036950000 1.03857906510000 2.65110464650000 7.67940751030000 15.53300939540000 10.76610452540000 -8.06934069840000
-0.01068742790000 0.54920892840000 -0.49613763860000 0.21638996580000 -0.05694906960000 0.14086623060000 -0.34051424010000 0.30780108850000 0.09266259510000 -1.54534215060000 -9.10662036650000 -1.289476107070e1 -1.523957193790e1 -8.40737402020000 5.75496811280000
-0.00954235670000 0.38057751580000 -0.49248845500000 0.22752434940000 -0.05821461710000 0.11226019880000 0.06013860240000 0.36004075820000 -0.65636305630000 5.41086486330000 15.71706288970000 12.50466088040000 11.68345889750000 5.82794885580000 -3.89188289960000
0.00010587990000 0.08066829390000 0.40553599520000 -0.23657051610000 0.06107248280000 -0.09887241650000 -0.33415483370000 -0.52240687650000 1.34188018430000 -1.216199454780e1 -1.593576359200e1 -8.81687995100000 -7.58414180060000 -3.68396408650000 2.47105974320000
0.00115422950000 0.06619527690000 0.79914910390000 -0.82015847420000 0.25341223660000 -0.71612124310000 2.42306849350000 -2.97575940980000 -0.56778065300000 15.14462757860000 11.22840151700000 5.09545291860000 4.34896807370000 2.12543734000000 -1.44217895170000
0.00048863250000 0.00980563940000 0.15727724190000 0.01764319110000 -0.03068953710000 0.21471620230000 -2.87781381750000 7.32687148360000 -1.36570572510000 -1.226308246360e1 -6.22010627480000 -2.57232172680000 -2.23697758870000 -1.10801884530000 0.75897975730000
-0.00007185880000 0.00066227930000 0.01341635840000 0.95968937680000 -0.39443823840000 1.51516802040000 -0.27939120400000 -7.84209539690000 2.82997743420000 7.45335389550000 2.93571688180000 1.16498055360000 1.03306525040000 0.51701098620000 -0.35616147940000
0.00004474070000 -0.00048416310000 0.00485446640000 0.32407604390000 -0.30544966760000 -0.94682882130000 3.03612748450000 5.10998889310000 -3.29943719800000 -3.79510601880000 -1.23511012610000 -0.47707779560000 -0.42859840270000 -0.21574912350000 0.14904465910000
-0.00001490240000 0.00016351750000 -0.00011992880000 -0.00792415210000 0.49421507110000 -1.20261510200000 -2.72214519080000 -2.06870506400000 3.20760953310000 1.74958780210000 0.47611756200000 0.17824825180000 0.16152668610000 0.08154778920000 -0.05640014170000
0.00000533430000 -0.00006253760000 0.00002795480000 0.00380074360000 0.75350641160000 1.09000839170000 0.94984822260000 0.13880751280000 -2.99045217560000 -0.80161750860000 -0.17597817640000 -0.06293195190000 -0.05756883220000 -0.02911924230000 0.02014487240000
-0.00000155030000 0.00001767750000 -0.00001257870000 -0.00123347300000 0.01526955430000 0.10052139570000 0.17540848440000 0.43376545170000 1.87788061790000 0.30685165910000 0.05341335800000 0.01801024760000 0.01669273230000 0.00845977870000 -0.00585135420000
* p-type functions
16 12
161375.28996000
27175.37387100
6619.27146630
2086.60200420
782.62990081
328.55877167
147.97471041
69.52628919
33.48298204
16.33661307
7.99651037
3.87910929
1.83007516
0.81509729
0.32772051
0.13176431
0.00009178720000 -0.00003939020000 0.00001531890000 -0.00001083190000 0.00001701360000 -0.00002347630000 0.00002745660000 -0.00006529530000 0.00006611870000 -0.00028301270000 0.00021018560000 -0.00302569600000
0.00046917760000 -0.00020192670000 0.00007865380000 -0.00005543290000 0.00008799360000 -0.00013088190000 0.00017381720000 -0.00015431550000 0.00095360000000 -0.00048723760000 0.00510326710000 0.00831926110000
0.00231808190000 -0.00099967330000 0.00038867640000 -0.00027567020000 0.00042984490000 -0.00055761190000 0.00057334960000 -0.00234322590000 -0.00053686730000 -0.01131637850000 -0.00743434190000 -0.11243500520000
0.00992550810000 -0.00432076510000 0.00168711970000 -0.00118685170000 0.00189794890000 -0.00296382840000 0.00422115340000 -0.00077791810000 0.02928637730000 -0.00059719570000 0.18729327100000 0.14425826040000
0.03618444530000 -0.01595410060000 0.00621801700000 -0.00442542220000 0.00687324080000 -0.00851070400000 0.00776535160000 -0.04606369000000 -0.03265278590000 -0.25179800400000 -0.15466819680000 -2.48735686080000
0.10885154690000 -0.04969346200000 0.01955131850000 -0.01376743730000 0.02223303650000 -0.03634704410000 0.05471924410000 0.01316735720000 0.44418411120000 0.07265710790000 2.68020341840000 4.64311804580000
0.25018426230000 -0.11957864580000 0.04711132740000 -0.03380516300000 0.05241497280000 -0.06103039430000 0.04494480880000 -0.45938294290000 -0.50457874920000 -2.52116812340000 -5.66649444840000 -4.99738290580000
0.38898410200000 -0.19934237100000 0.08020257380000 -0.05633727440000 0.09317492400000 -0.17281907410000 0.29965249090000 0.42232695420000 2.84097526380000 5.95068590520000 6.38093058050000 4.14718684110000
0.30935162840000 -0.11825631560000 0.04228021800000 -0.03090242160000 0.03625059340000 0.06458387430000 -0.32995957180000 -1.77194678650000 -6.85154780050000 -6.80250365510000 -5.19453186730000 -3.00503716040000
0.08180153160000 0.24660765460000 -0.12516936180000 0.10709658210000 -0.17909655900000 0.08493147950000 0.39405003290000 5.68639000250000 8.28438867270000 5.36682161770000 3.53616756330000 2.01197085800000
-0.00071130610000 0.55398918630000 -0.31747732030000 0.22368020680000 -0.38678152170000 1.07477019690000 -2.72789730190000 -8.19505331960000 -6.57309604330000 -3.43871073980000 -2.16807288860000 -1.25956411530000
-0.00379514520000 0.31813182680000 -0.14384573490000 0.12107803710000 -0.05943840410000 -1.43728586710000 5.81805472970000 7.05496988390000 3.97766143130000 1.93248268930000 1.21912662590000 0.72447849420000
-0.00026256510000 0.03061517340000 0.44754331410000 -0.66694931380000 1.46786576340000 -0.66862183460000 -6.39388657860000 -4.27263400330000 -2.00250631070000 -0.96882486900000 -0.61711899860000 -0.37173585890000
-0.00015064790000 0.00334806520000 0.58683376640000 -0.20484157170000 -0.92637001090000 2.66842886900000 4.61332555230000 2.00578106690000 0.87483388170000 0.42766693720000 0.27403005380000 0.16606215450000
0.00003688680000 -0.00074767270000 0.17133599950000 0.52432734510000 -0.94327348450000 -2.73820035220000 -2.50510168620000 -0.79552828340000 -0.34082567530000 -0.16720842030000 -0.10735257490000 -0.06519859300000
-0.00001485160000 0.00029628970000 0.00113738640000 0.61488025830000 1.18692918450000 1.32509961000000 0.89566728730000 0.23716518990000 0.10118448960000 0.04958593100000 0.03185239280000 0.01935861690000
* d-type functions
12 11
947.22623883
279.99097513
104.48103595
44.78576086
20.61971787
9.73435478
4.56299302
2.07265541
0.89149780
0.35298850
0.12362708
0.04329788
0.00104761750000 -0.00030631830000 0.00035463410000 -0.00039787960000 0.00050902230000 -0.00040400480000 0.00087281330000 -0.00506193890000 0.01136971290000 -0.04999999650000 0.05337768290000
0.00913839790000 -0.00269597560000 0.00305452300000 -0.00349342470000 0.00751978140000 -0.00844892710000 0.01222192910000 -0.00452105860000 -0.14740020490000 0.19303394130000 -1.62097597150000
0.04603971500000 -0.01361795610000 0.01574382160000 -0.01772863840000 0.02485416520000 -0.02173945960000 0.04375531680000 -0.21675213920000 0.31295196540000 -2.09796510510000 1.89901222190000
0.14667566130000 -0.04422148680000 0.05005316280000 -0.05655994240000 0.12674741930000 -0.14875054310000 0.22044655770000 -0.11331211320000 -2.36027072240000 2.93821109450000 -1.51174661590000
0.30242799050000 -0.09023232890000 0.10676472570000 -0.12550510800000 0.14501371110000 -0.08150843870000 0.19671971500000 -1.39136668890000 4.02164839040000 -2.35705389100000 1.02437709360000
0.40014074030000 -0.11368687340000 0.12397938620000 -0.14005663480000 0.35829923510000 -0.42039833240000 0.34076308250000 3.34812775520000 -3.70252281870000 1.42038932370000 -0.62702598180000
0.27978112030000 -0.02511137850000 0.04312867910000 -0.06624545930000 -0.65043705630000 1.37399285670000 -1.96597079880000 -3.44829640860000 2.37670282270000 -0.74074487230000 0.35069685700000
0.06333025200000 0.24123350250000 -0.46594860640000 0.98715704730000 -0.65480354710000 -1.24853246960000 2.68832147890000 2.34074889040000 -1.23117502830000 0.35710078040000 -0.17826851230000
0.00320934250000 0.43919644740000 -0.43467324010000 -0.51674987530000 1.69353580880000 0.32557157080000 -2.33796837620000 -1.26507908020000 0.56090768610000 -0.15951894940000 0.08182141180000
0.00028654970000 0.40175511200000 0.47802250710000 -0.69913052540000 -1.37610175960000 0.55177692940000 1.70868195200000 0.60250238580000 -0.23251845080000 0.06487531770000 -0.03388577250000
0.00009810310000 0.15358167720000 0.54207914020000 0.77356694940000 0.41157212700000 -1.15555383250000 -1.22233359260000 -0.27855771710000 0.09116116580000 -0.02439239220000 0.01308485610000
-0.00000306670000 -0.00027029660000 0.04346408190000 0.18716964350000 0.33967706900000 1.14240614500000 0.72616329170000 0.11475240510000 -0.03053585460000 0.00756390090000 -0.00427300100000
* f-type functions
6 6
4.39451634
2.92384174
1.80495449
0.95571121
0.43818525
0.17861166
0.05739009950000 -0.05958657280000 0.33337246820000 -0.61724732910000 1.76502754130000 -4.58259900470000
0.02519055280000 0.24172049940000 -1.00976689500000 2.10970180290000 -0.49801542940000 9.60000896440000
0.26066447740000 0.48156046300000 -0.31875763640000 -1.20359328390000 -2.17390474830000 -8.42724578260000
0.40200288080000 0.20012347690000 1.00697142490000 -1.00982572600000 2.26329846640000 4.43075188630000
0.37399259820000 -0.55957291720000 0.14216752360000 1.70658651860000 -1.26982225780000 -1.84692399770000
0.12980568600000 -0.42388251040000 -0.74643240160000 -1.07217507100000 0.46500790500000 0.59059328160000
* g-type functions
5 5
3.63630894
2.68914397
1.38600688
0.65684741
0.26589177
0.02832013140000 -0.14912681820000 0.21959914230000 -0.17011719520000 4.57929847350000
-0.20835176990000 0.68968202090000 -1.04795923550000 -1.25867614900000 -5.99140747670000
-0.47144886150000 0.34664537620000 0.44678574460000 2.23681793040000 2.74294513280000
-0.41669305960000 -0.53250356190000 0.73899132330000 -1.72981590180000 -1.18127367210000
-0.15042715390000 -0.47167452040000 -0.99507280660000 0.75252028450000 0.36328922280000
* h-type functions
3 3
2.45111636
1.16362215
0.46930989
0.35591432920000 -0.75348648150000 1.09226706360000
0.58363576340000 0.10153686010000 -1.48333431820000
0.27141417500000 0.77130010350000 0.92408807990000
/Rh.ANO-R.Zobel.23s16p12d6f5g3h.15s11p11d6f5g3h.
J.P. Zobel, P.-O. Widmark, V. Veryazov. J. Chem. Theory Comput. 16 (2020) 278-294. doi:10.1021/acs.jctc.9b00873
RHODIUM (23s,16p,12d,6f,5g,3h) -> [15s,11p,11d,6f,5g,3h]
45.0 5
* s-type functions
23 15
43870360.59700000
7580291.83230000
1649241.83360000
430124.79879000
129199.10487000
43297.73962200
15793.21128600
6153.69400420
2526.11804630
1081.62333150
479.56342266
218.93999139
102.40556854
48.80108758
23.52545548
11.36006894
5.42070048
2.50930698
1.09974691
0.44222429
0.15683988
0.04673046
0.01392335
0.00010301530000 -0.00003254050000 0.00001538010000 -0.00000632880000 0.00000141090000 -0.00000349150000 0.00000513230000 -0.00000700230000 0.00000565010000 -0.00001421430000 0.00002674940000 -0.00006426910000 0.00020249770000 -0.00022598780000 0.00084413560000
0.00031990740000 -0.00010110670000 0.00004779140000 -0.00001966490000 0.00000438340000 -0.00001084040000 0.00001588510000 -0.00002172430000 0.00001771960000 -0.00004536430000 0.00007924850000 -0.00018856460000 -0.00012894980000 0.00766558110000 0.00492253450000
0.00084679830000 -0.00026793030000 0.00012665080000 -0.00005212050000 0.00001162020000 -0.00002877620000 0.00004243420000 -0.00005775950000 0.00004609260000 -0.00011385210000 0.00023078650000 -0.00053174890000 0.00188201280000 -0.03302898630000 -0.03516846060000
0.00204738730000 -0.00064949200000 0.00030712450000 -0.00012636520000 0.00002816240000 -0.00006954930000 0.00010123710000 -0.00013914560000 0.00011608750000 -0.00030781910000 0.00045715500000 -0.00124352010000 -0.00111803610000 0.09039060520000 0.15129143910000
0.00483905540000 -0.00154176420000 0.00072916720000 -0.00030017960000 0.00006695330000 -0.00016623120000 0.00024810380000 -0.00033478270000 0.00025596600000 -0.00058544580000 0.00155781360000 -0.00298529330000 0.01617647490000 -0.23649675740000 -0.42095390750000
0.01137557040000 -0.00365429680000 0.00173021350000 -0.00071174220000 0.00015853850000 -0.00038992580000 0.00055637680000 -0.00077602930000 0.00068985430000 -0.00200014690000 0.00172914930000 -0.00777761540000 -0.01649258880000 0.44178228270000 0.82690148790000
0.02681958900000 -0.00873366910000 0.00413787890000 -0.00170505510000 0.00038067850000 -0.00095047370000 0.00145566950000 -0.00192922900000 0.00133795710000 -0.00245941940000 0.01166834350000 -0.01478841290000 0.11024261320000 -0.78913303520000 -1.43615079190000
0.06229340570000 -0.02086142130000 0.00991744770000 -0.00407939460000 0.00090795120000 -0.00221755180000 0.00305354210000 -0.00437203140000 0.00430489940000 -0.01407594370000 0.00173343060000 -0.05582320550000 -0.13659568900000 0.66905369340000 3.25045599880000
0.13687857350000 -0.04841565670000 0.02311333820000 -0.00954654880000 0.00213528100000 -0.00537588600000 0.00854144810000 -0.01105065900000 0.00655618040000 -0.00669964370000 0.08889061600000 -0.07268703160000 0.84370455840000 -0.77027274960000 -1.81582245940000
0.26045623860000 -0.10354211780000 0.05009559280000 -0.02064752430000 0.00459294850000 -0.01109374290000 0.01437735590000 -0.02155686830000 0.02467585760000 -0.09279155750000 -0.05545340890000 -0.36816062880000 -1.09869287010000 -2.51062104380000 -2.41131643250000
0.36089128080000 -0.17986728770000 0.08917648040000 -0.03719626160000 0.00836570050000 -0.02149310390000 0.03708295210000 -0.04570112790000 0.01699382740000 0.03994987270000 0.58285859770000 -0.04022570310000 4.00139731450000 8.51148960930000 4.74195717100000
0.26053274260000 -0.17707472440000 0.09279874500000 -0.03856955570000 0.00852229490000 -0.01900525130000 0.01320348060000 -0.03239178010000 0.08109960140000 -0.43868570640000 -0.93030330040000 -1.50214220730000 -1.063932164520e1 -1.189815426330e1 -4.43765540380000
0.05189597030000 0.12280240220000 -0.07806256730000 0.03296621960000 -0.00713779950000 0.01213290790000 0.02047451650000 0.00848652900000 -0.14805293910000 0.99847762480000 2.59375408780000 7.93499724810000 15.37211741750000 11.44319975360000 3.22482118160000
-0.00933997540000 0.57508326980000 -0.46895635920000 0.22007036090000 -0.05122877710000 0.14126630020000 -0.30358158150000 0.35037314160000 0.03600543070000 -1.42860819680000 -9.09218131910000 -1.324799433560e1 -1.512524893380e1 -9.02952194790000 -2.16613136430000
-0.00854734720000 0.40592612180000 -0.47392997570000 0.23190007360000 -0.05231682570000 0.10303696080000 0.04487619160000 0.13445623790000 -0.85262185870000 5.22683799890000 15.86164808210000 12.88930599010000 11.64750227050000 6.30325970800000 1.42036780960000
0.00005594940000 0.05888693230000 0.41750677440000 -0.24607087400000 0.05601164890000 -0.08405313030000 -0.28800649540000 -0.06388621970000 1.65853211710000 -1.201861578200e1 -1.622745063550e1 -9.12291672100000 -7.58647761300000 -3.99488551160000 -0.89395363430000
0.00082983390000 0.02271653360000 0.80554851360000 -0.83908243370000 0.23000024790000 -0.72519688360000 2.12461446330000 -3.12647829710000 0.18324476540000 15.09292897100000 11.51451155630000 5.27216934940000 4.34666815440000 2.29868899040000 0.52054061610000
0.00041977650000 0.00095918150000 0.15260430190000 0.05409329830000 -0.04286107330000 0.25032457710000 -2.36369718650000 6.48009908910000 -3.61359779790000 -1.225392483640e1 -6.39671725200000 -2.64414235200000 -2.22033486020000 -1.18830233340000 -0.27246787270000
-0.00004205810000 -0.00137209230000 0.01104844600000 0.96312729560000 -0.33476228640000 1.41737761480000 -0.61779221190000 -5.93925434010000 5.46449506470000 7.44770245580000 3.01267386720000 1.18163819620000 1.01214014510000 0.54686207270000 0.12639942640000
0.00005038920000 -0.00109329080000 0.00335649860000 0.30532691750000 -0.26318224280000 -0.84486705450000 2.89911635870000 2.81237316290000 -5.14763602340000 -3.78888706950000 -1.26171933970000 -0.47521926710000 -0.41269458220000 -0.22418060610000 -0.05202393450000
-0.00001399470000 0.00016590460000 0.00001442820000 -0.00777462920000 0.35795046560000 -1.16859000460000 -2.17350491160000 -0.12092389370000 3.91680146420000 1.73715356230000 0.48578254720000 0.17422358250000 0.15269872980000 0.08315542450000 0.01932649520000
0.00000495420000 -0.00006119190000 -0.00001276140000 0.00406811710000 0.81301244650000 0.86318687290000 0.29992223920000 -1.17983248030000 -2.79033311870000 -0.77951002930000 -0.18204348480000 -0.06083044180000 -0.05376706750000 -0.02931179400000 -0.00681342300000
-0.00000145180000 0.00001810910000 0.00000222610000 -0.00111945160000 0.05011792790000 0.24039333400000 0.55248929440000 1.03716911850000 1.45864295260000 0.28961902750000 0.05733062400000 0.01754507700000 0.01565047900000 0.00853630610000 0.00198318590000
* p-type functions
16 11
178981.92810000
29951.31247600
7254.34343080
2275.34177550
849.74496729
355.49768128
159.71243027
74.94211565
36.08802259
17.62775649
8.64780796
4.20774260
1.99165937
0.88955176
0.35810746
0.14416356
0.00008888130000 -0.00004418060000 0.00001554950000 -0.00001165680000 0.00001701670000 -0.00002402710000 0.00002785280000 -0.00006817370000 0.00006270260000 -0.00029064530000 0.00045784600000
0.00044847610000 -0.00022351290000 0.00007881650000 -0.00005887500000 0.00008694430000 -0.00013248160000 0.00017169390000 -0.00017437280000 0.00092458450000 -0.00051680070000 0.00397069160000
0.00218842310000 -0.00109269570000 0.00038467830000 -0.00028936840000 0.00041891780000 -0.00055419800000 0.00057199160000 -0.00235260640000 -0.00069899420000 -0.01140235050000 -0.00248740290000
0.00931321390000 -0.00468975030000 0.00165992490000 -0.00123725380000 0.00184258980000 -0.00295751560000 0.00409291580000 -0.00119977450000 0.02847254900000 -0.00117814920000 0.17652108390000
0.03396672970000 -0.01730027130000 0.00611927440000 -0.00462110250000 0.00665731050000 -0.00836996280000 0.00773686540000 -0.04598290110000 -0.03657098840000 -0.25636405380000 -0.11077212810000
0.10273758870000 -0.05399978170000 0.01935498480000 -0.01443936230000 0.02173024370000 -0.03657099570000 0.05329059750000 0.00683233160000 0.43703404600000 0.08234309900000 2.60096341900000
0.23838300360000 -0.13067840600000 0.04711397780000 -0.03589962140000 0.05158330870000 -0.06077050150000 0.04663387660000 -0.46453979290000 -0.53933835710000 -2.53725094350000 -5.56175421720000
0.37578402160000 -0.21985171740000 0.08153371760000 -0.06068191170000 0.09381014260000 -0.17977851060000 0.29753025000000 0.39955058410000 2.95070978860000 5.92538022150000 6.29547592360000
0.30872601910000 -0.14255330700000 0.04626580530000 -0.03606622490000 0.03950735740000 0.06600218100000 -0.31144188430000 -1.70966744510000 -7.02781190580000 -6.71909533370000 -5.15789876110000
0.09978423990000 0.23059409430000 -0.12224531260000 0.11398332240000 -0.17558797920000 0.07028062020000 0.36703526030000 5.63909830540000 8.54434802730000 5.25820731160000 3.53619458480000
0.02926017450000 0.55455769170000 -0.32451267830000 0.24048436770000 -0.39174259820000 1.14410843450000 -2.71532512160000 -8.21553181450000 -6.86872200520000 -3.34268908600000 -2.18044094560000
0.01345135870000 0.32597918280000 -0.15088861410000 0.13623699540000 -0.06095804590000 -1.55356160370000 5.84119299670000 7.13063625490000 4.21387457910000 1.86679795500000 1.22971270580000
0.00140909310000 0.03254328120000 0.44856914610000 -0.73443945130000 1.48245270850000 -0.55326396090000 -6.45887924840000 -4.34609474510000 -2.14023727270000 -0.93164212340000 -0.62240442660000
0.00003927500000 0.00348983350000 0.58701160860000 -0.17309958180000 -0.98568028520000 2.59774315330000 4.68956751010000 2.04872056080000 0.93680629530000 0.40948440620000 0.27556756820000
-0.00000701170000 -0.00071433290000 0.17393608040000 0.56729416780000 -0.88367902290000 -2.71748744850000 -2.56523311980000 -0.81528509320000 -0.36428646470000 -0.15941007550000 -0.10752800720000
0.00000223060000 0.00029938950000 0.00115711910000 0.56438995940000 1.19408407040000 1.32968440190000 0.92396989660000 0.24382343990000 0.10803871040000 0.04717100370000 0.03184219740000
* d-type functions
12 11
1007.19635100
297.29270967
110.89348101
47.54065136
21.90654106
10.36358372
4.87704020
2.22863912
0.96598437
0.38554934
0.13578858
0.04782407
0.00104937510000 -0.00031696850000 0.00038153620000 -0.00043004080000 0.00053299860000 -0.00042226220000 0.00094206710000 -0.00493385520000 0.01078749560000 -0.04774808050000 0.13675120780000
0.00913545650000 -0.00278639210000 0.00329207920000 -0.00394962560000 0.00799203200000 -0.00887731920000 0.01109985200000 -0.00550301470000 -0.14397339600000 0.17425190600000 -1.69268197740000
0.04615402050000 -0.01410966200000 0.01698252510000 -0.01935514940000 0.02623785110000 -0.02281735580000 0.04600315350000 -0.21359182290000 0.29564890750000 -2.08025867380000 1.97835606500000
0.14745464760000 -0.04599813740000 0.05441485320000 -0.06492875100000 0.13643405890000 -0.15735833210000 0.20150972930000 -0.12868381310000 -2.34281812450000 2.95216185640000 -1.59553356940000
0.30437261080000 -0.09389124850000 0.11531166200000 -0.13479384860000 0.14833283540000 -0.08509115470000 0.22763917500000 -1.36086425120000 4.04764103470000 -2.40262646200000 1.09633853210000
0.40148879180000 -0.11791817000000 0.13200281090000 -0.15504528830000 0.36978438530000 -0.43068644670000 0.21826613410000 3.36645712580000 -3.78329934050000 1.47084386510000 -0.67893035520000
0.27582926110000 -0.02052397250000 0.03235367960000 -0.00938046690000 -0.78726440830000 1.49855464220000 -1.78969970650000 -3.54357984730000 2.47241767710000 -0.77734086810000 0.38330327200000
0.06047661340000 0.25350229670000 -0.50760201750000 1.01800596340000 -0.42526325130000 -1.50533934540000 2.61565188200000 2.45400090070000 -1.30406447780000 0.37788722920000 -0.19626245670000
0.00330859250000 0.43839122010000 -0.40537447560000 -0.69595007660000 1.57619895660000 0.59937434620000 -2.38570503390000 -1.35119746750000 0.60340165720000 -0.16935687430000 0.09043633490000
0.00033847490000 0.39081337600000 0.52721091430000 -0.55650591140000 -1.42634372310000 0.35138947020000 1.80696257900000 0.65847482870000 -0.25368439570000 0.06874715500000 -0.03742014680000
0.00016587410000 0.15028637320000 0.49938291220000 0.76953607090000 0.50838178300000 -1.04538029860000 -1.33033734010000 -0.31556978290000 0.10170261680000 -0.02572483010000 0.01438444880000
-0.00001095570000 0.00126513720000 0.03114994460000 0.15722652350000 0.31455665200000 1.11070982090000 0.80250845370000 0.13583616490000 -0.03546124700000 0.00796399730000 -0.00467500510000
* f-type functions
6 6
4.73276904
3.11303983
1.92942926
1.04276713
0.49163324
0.20324554
0.06276302670000 -0.06121970280000 0.32393845700000 -0.56529158710000 1.44117525710000 -4.59853446650000
0.02749337990000 0.27645759850000 -1.06490036780000 2.11684853200000 0.17093387540000 9.71819656090000
0.27126723430000 0.47040313030000 -0.22776989620000 -1.29169240350000 -2.91551769400000 -8.75524882700000
0.38814061890000 0.17752111610000 0.98741880500000 -1.02608769140000 2.83540875100000 4.70666898580000
0.36624645250000 -0.56014190380000 0.15967680870000 1.77700497740000 -1.54953813640000 -1.93273885010000
0.12897513850000 -0.42323561940000 -0.77035382230000 -1.08903860360000 0.54322259930000 0.58954944450000
* g-type functions
5 5
3.66335834
3.15036546
1.57095356
0.75260609
0.30617469
0.09850333300000 -0.44279294140000 0.69530523960000 -0.10033304540000 10.04681651370000
-0.25904068150000 0.94676843730000 -1.48901379730000 1.58055166330000 -1.170199559960e1
-0.47534156800000 0.39137129930000 0.34732522100000 -2.29818161270000 3.05733852180000
-0.42520850690000 -0.53084460420000 0.82712276840000 1.73670953460000 -1.28801613880000
-0.14725932830000 -0.48881476770000 -1.01823100850000 -0.72824100990000 0.38708381850000
* h-type functions
3 3
2.76693176
1.29062279
0.52690663
0.32299265520000 -0.65475288960000 1.14005781130000
0.60840713610000 -0.06071769960000 -1.46173500350000
0.27543781800000 0.84856225460000 0.86275814990000
/Pd.ANO-R.Zobel.22s16p12d6f5g3h.15s12p11d6f5g3h.
J.P. Zobel, P.-O. Widmark, V. Veryazov. J. Chem. Theory Comput. 16 (2020) 278-294. doi:10.1021/acs.jctc.9b00873
PALLADIUM (22s,16p,12d,6f,5g,3h) -> [15s,12p,11d,6f,5g,3h]
46.0 5
* s-type functions
22 15
45902421.47500000
8055040.46760000
1780981.86060000
471517.46069000
143461.49004000
48561.21232400
17837.78714200
6979.62932970
2870.56261970
1229.44116290
544.84808149
248.68393474
116.42815092
55.65366358
26.98952739
13.15693265
6.36230447
2.99616798
1.34044474
0.55163073
0.20044530
0.07283553
0.00009811660000 -0.00005172020000 0.00001676860000 -0.00000635300000 0.00000161560000 -0.00000429880000 0.00000640920000 -0.00000890170000 0.00001567890000 -0.00002834160000 0.00006634860000 -0.00008919090000 0.00140809170000 -0.00296997390000 0.01575408100000
0.00030404120000 -0.00016032710000 0.00005199450000 -0.00001969730000 0.00000501000000 -0.00001331270000 0.00001976700000 -0.00002758010000 0.00005029390000 -0.00008272010000 0.00020767710000 -0.00033898950000 -0.00479173070000 0.01053264890000 -0.05800682210000
0.00079021210000 -0.00041701910000 0.00013531100000 -0.00005126750000 0.00001303580000 -0.00003473120000 0.00005199380000 -0.00007188970000 0.00012215260000 -0.00024225270000 0.00052756700000 -0.00076434730000 0.01430187600000 -0.04237862120000 0.15426869930000
0.00187642780000 -0.00099197020000 0.00032227220000 -0.00012207040000 0.00003105970000 -0.00008230400000 0.00012115460000 -0.00017067010000 0.00033347380000 -0.00044655750000 0.00134078240000 -0.00186037430000 -0.04651165070000 0.10751783930000 -0.38210847980000
0.00435309560000 -0.00230815740000 0.00075138400000 -0.00028476970000 0.00007236620000 -0.00019378090000 0.00029463690000 -0.00040062650000 0.00058626350000 -0.00162946660000 0.00273778580000 -0.00758959380000 0.11459921830000 -0.38313886810000 1.06296362780000
0.01005237150000 -0.00535911730000 0.00175137400000 -0.00066308310000 0.00016887970000 -0.00044393940000 0.00063663880000 -0.00092259980000 0.00215435140000 -0.00139226990000 0.00819635690000 -0.00000733840000 -0.06598908170000 1.07689230720000 -2.93741018930000
0.02334587060000 -0.01256139540000 0.00413050750000 -0.00156651700000 0.00039761680000 -0.00107634830000 0.00169144850000 -0.00222158050000 0.00212555260000 -0.01234316560000 0.01263159210000 -0.06926059530000 0.03639564390000 -2.10896628000000 5.07551354670000
0.05364945180000 -0.02939726090000 0.00978880840000 -0.00370326440000 0.00094472900000 -0.00244996950000 0.00335120430000 -0.00510848610000 0.01528305040000 0.00189682400000 0.05722000810000 0.04569012940000 0.70722685860000 3.56788873980000 -7.87745780730000
0.11747213230000 -0.06676407630000 0.02276585940000 -0.00864560200000 0.00219120580000 -0.00602484480000 0.00991109690000 -0.01243177850000 0.00301308420000 -0.09536015250000 0.05317418910000 -0.58240056920000 -1.53994233120000 -7.75992265100000 8.28047148010000
0.22498432220000 -0.13839006720000 0.04956530370000 -0.01874722810000 0.00479621080000 -0.01217876110000 0.01537529790000 -0.02556582170000 0.10320727400000 0.08353344270000 0.39253258230000 0.62457635240000 5.46843576450000 11.72356673120000 -5.75608243410000
0.31907182350000 -0.23166640350000 0.09083720980000 -0.03473142320000 0.00877829760000 -0.02500802810000 0.04523606810000 -0.05188839630000 -0.06678115940000 -0.64400663240000 -0.00606392590000 -3.52734095890000 -1.139664650030e1 -1.191548898050e1 3.22098909850000
0.24279038180000 -0.23078180640000 0.10289679340000 -0.03914531300000 0.01017351440000 -0.02263008940000 0.01246525530000 -0.04909351720000 0.52888076760000 1.09946627280000 1.79157706710000 10.27056981190000 14.33494213160000 9.62504387120000 -1.88913504500000
0.08023211380000 0.05827663810000 -0.04994514740000 0.01883578080000 -0.00530764340000 0.00242586610000 0.05201539230000 0.00889715120000 -1.16573737600000 -3.20708588140000 -8.43529483120000 -1.507922570140e1 -1.344945110640e1 -7.07237118610000 1.31292543790000
0.08604231150000 0.51947248700000 -0.44884765730000 0.19586733160000 -0.04950170800000 0.16066542960000 -0.38052640920000 0.36886659100000 1.91961338060000 10.28191069770000 13.65203109660000 14.94470502220000 10.67692438930000 5.04697987510000 -0.98680814130000
0.06841530410000 0.43095962000000 -0.53825574070000 0.24829759830000 -0.06763731130000 0.12313928440000 0.09980270940000 0.29426325390000 -6.50050398530000 -1.722149967510e1 -1.311717412590e1 -1.162408507800e1 -7.59998078990000 -3.50307998710000 0.72304434690000
0.01649334620000 0.08792975490000 0.28291745970000 -0.15681210680000 0.04764631540000 -0.00759822620000 -0.59517762610000 -0.07955555640000 13.88780872410000 17.33916677240000 9.27900250530000 7.68370481330000 4.93433424820000 2.29657343350000 -0.49057195240000
0.01337220490000 0.04921627850000 0.85105564560000 -0.81729136440000 0.22702716670000 -0.86831023000000 2.94061710120000 -4.16342371760000 -1.671671061110e1 -1.224352382200e1 -5.40727209530000 -4.47852115710000 -2.90573531590000 -1.37581003900000 0.29954622810000
0.00318301030000 0.01005724650000 0.22763871020000 -0.14061656610000 0.05588893660000 0.04264390960000 -3.19034223450000 8.98015656740000 13.09929536440000 6.78003418260000 2.74327428790000 2.32187909180000 1.52914097190000 0.73396503830000 -0.16141591500000
0.00006373390000 0.00082608780000 -0.00231689460000 0.94561942720000 -0.42090988020000 1.85803119450000 -0.42422661800000 -9.45286756230000 -7.60268879300000 -3.16107239300000 -1.23526498820000 -1.06641958130000 -0.70996126590000 -0.34359103680000 0.07594518580000
-0.00001913560000 -0.00023162420000 0.00182261810000 0.41855438040000 -0.19882550840000 -0.91733397380000 3.49390114880000 6.50979071750000 3.59103809170000 1.29012787220000 0.49567254370000 0.43302895860000 0.28999279530000 0.14093216960000 -0.03122459750000
0.00000750830000 0.00010894880000 -0.00068056500000 0.00072478500000 0.03074542770000 -1.56987137660000 -3.41728071080000 -3.36540961440000 -1.46174062180000 -0.47454115440000 -0.17992740760000 -0.15811249990000 -0.10616974170000 -0.05169093750000 0.01146420250000
-0.00000236690000 -0.00003104870000 0.00017681530000 0.00330912390000 1.07977615540000 1.30758516000000 1.46116302030000 1.11506497880000 0.42807630370000 0.13166829180000 0.04950987280000 0.04361248990000 0.02931323940000 0.01428052950000 -0.00316830470000
* p-type functions
16 12
192884.40108000
32023.77100200
7722.00703020
2414.77196440
899.44112828
375.30606638
168.20143718
78.78002356
37.90514933
18.52329773
9.10026102
4.43470074
2.09863625
0.93268378
0.37020250
0.14694143
0.00009168090000 -0.00004339800000 0.00001619070000 -0.00001375960000 0.00001791510000 -0.00002505150000 0.00002731220000 -0.00006856570000 0.00007738230000 -0.00028418080000 0.00015148740000 -0.00530036080000
0.00045986600000 -0.00021826790000 0.00008157190000 -0.00006915640000 0.00009159680000 -0.00013909700000 0.00016372340000 -0.00018238110000 0.00092719630000 -0.00055635090000 0.00523497100000 0.01825712880000
0.00222133650000 -0.00105652340000 0.00039420240000 -0.00033591450000 0.00043160730000 -0.00056028020000 0.00056283710000 -0.00231738910000 -0.00012986940000 -0.01077859350000 -0.00847579400000 -0.15017656230000
0.00939165520000 -0.00450578330000 0.00168952760000 -0.00143031790000 0.00191945300000 -0.00308910690000 0.00381556810000 -0.00134619750000 0.02758479920000 -0.00187957540000 0.18213186300000 0.38343175780000
0.03420388500000 -0.01660713870000 0.00622034300000 -0.00531930080000 0.00677483970000 -0.00827247780000 0.00768006630000 -0.04501012860000 -0.02436423360000 -0.23815758570000 -0.17883829740000 -2.80549941750000
0.10369322550000 -0.05200032040000 0.01971011540000 -0.01671668620000 0.02276668660000 -0.03854134730000 0.04947944090000 0.00406468850000 0.42188320830000 0.03733579860000 2.71080411440000 4.84901911840000
0.24149967050000 -0.12653508930000 0.04816953800000 -0.04155321500000 0.05255051100000 -0.05920456500000 0.04838770930000 -0.45429453320000 -0.41518738090000 -2.45308508890000 -5.68158783850000 -5.08876185230000
0.38132153960000 -0.21354769220000 0.08341294340000 -0.07081973970000 0.10043971130000 -0.19552165840000 0.27529173060000 0.38632234170000 2.68434515880000 5.92442738450000 6.43272496730000 4.21024756440000
0.31163019600000 -0.13587535050000 0.04673139740000 -0.04031981550000 0.03146726410000 0.09882995530000 -0.27723545290000 -1.69259866410000 -6.74208597830000 -6.91474829370000 -5.30826323810000 -3.08083425660000
0.09428278760000 0.23743644580000 -0.12692827660000 0.13530032950000 -0.17663076430000 0.02147182010000 0.28690419040000 5.63726694330000 8.34963818440000 5.56129463100000 3.67201196430000 2.09157300060000
0.01705273270000 0.55908698080000 -0.33445799760000 0.28380197400000 -0.44069015820000 1.33100514570000 -2.48857932080000 -8.26110040970000 -6.76184710830000 -3.60095226500000 -2.27703843140000 -1.32273089530000
0.00612184440000 0.31955531460000 -0.14023177910000 0.13307388300000 0.06075466750000 -2.08052014160000 5.54332061400000 7.19145272010000 4.14390192910000 2.01807972830000 1.28173839790000 0.76157414530000
0.00064949820000 0.03042739040000 0.46999415770000 -0.89970724600000 1.51785503730000 0.24204746880000 -6.28720062610000 -4.37251431300000 -2.08377503570000 -0.99637488210000 -0.64155952870000 -0.38665231410000
-0.00004308820000 0.00344944070000 0.57766019360000 -0.05553862180000 -1.40447066230000 1.93197799980000 4.70431918740000 2.04541776160000 0.89725136600000 0.42972199050000 0.27891262350000 0.16921382440000
0.00000905160000 -0.00066034670000 0.16176074610000 0.72795774090000 -0.37006573290000 -2.45711197470000 -2.70308420790000 -0.81139684740000 -0.34461444390000 -0.16473059990000 -0.10715882610000 -0.06518135100000
-0.00000471460000 0.00029243550000 0.00046149370000 0.36448928150000 1.04555045080000 1.36022075680000 1.04180575170000 0.24605024370000 0.10271119000000 0.04885072050000 0.03178451290000 0.01935133650000
* d-type functions
12 11
969.82326337
286.18338074
106.69081132
45.62997289
20.93409465
9.84469049
4.59909586
2.08186225
0.88966741
0.34664098
0.11699692
0.03948835
0.00127846740000 -0.00039235470000 0.00044926560000 -0.00046801570000 0.00067413470000 -0.00083795290000 0.00095749900000 -0.00497195380000 0.00653003690000 -0.04280594600000 0.08524739470000
0.01098849850000 -0.00341067410000 0.00391951110000 -0.00458467610000 0.00949102750000 -0.01128170430000 0.00746033970000 -0.00851944800000 -0.12272386050000 0.09669571250000 -1.65233225860000
0.05446353270000 -0.01694154970000 0.01945146580000 -0.02054270170000 0.03154508600000 -0.03994993500000 0.04318293040000 -0.21318390200000 0.15828382370000 -1.97616669830000 2.03267015490000
0.16867092770000 -0.05365254120000 0.06200992080000 -0.07301710680000 0.15596070840000 -0.19051014970000 0.12577767580000 -0.15112213480000 -2.11427046710000 2.95688545350000 -1.70260881900000
0.33141475610000 -0.10339002030000 0.11949903020000 -0.12459554660000 0.15358876940000 -0.16782506020000 0.22425165570000 -1.24315273260000 3.82608984950000 -2.50152989390000 1.19337960030000
0.40448974510000 -0.11813136550000 0.12951410570000 -0.16169340590000 0.36692997810000 -0.30483247680000 -0.08281415330000 3.22308759540000 -3.61794750580000 1.57462551770000 -0.73970880130000
0.23524765860000 0.02201833330000 -0.04328386830000 0.13229065610000 -1.02058849760000 1.75321249480000 -0.97853566370000 -3.44723803370000 2.36871057780000 -0.84087530950000 0.41233882970000
0.03823153070000 0.30830238840000 -0.54025276450000 0.84333594260000 -0.02039473510000 -2.22648097190000 1.77146646080000 2.40789579670000 -1.24479233390000 0.40554202960000 -0.20677236430000
0.00245827060000 0.44134782460000 -0.25342160870000 -0.70345681040000 1.28452300160000 1.47828143630000 -1.87220111160000 -1.32834960130000 0.57027997800000 -0.17819846820000 0.09269510530000
0.00019836650000 0.35108010810000 0.54499652790000 -0.47481579740000 -1.31763772950000 -0.42015602510000 1.64566771010000 0.64259017430000 -0.23550909610000 0.07057208400000 -0.03704970210000
0.00025814260000 0.12100981840000 0.46910817390000 0.77255943220000 0.53126475050000 -0.44750348140000 -1.46155142590000 -0.30812431240000 0.09318404080000 -0.02602561850000 0.01375681720000
-0.00003789720000 0.00070447710000 0.03178756630000 0.15527697800000 0.24120076070000 0.77662761430000 1.07899435620000 0.13956008240000 -0.03347962510000 0.00831301660000 -0.00443561340000
* f-type functions
6 6
5.19870658
3.37530250
2.02867892
1.06609893
0.49518160
0.19897167
0.06163381460000 -0.05950460670000 0.31732508390000 -0.46674740690000 0.87640750650000 -4.28784721940000
0.03699163550000 0.28962008050000 -1.10816372880000 1.93419163150000 1.04168832520000 8.30190638860000
0.29564120710000 0.52424049790000 -0.13948005200000 -1.40665698030000 -3.39184621190000 -7.00011203560000
0.40359235040000 0.07394900430000 1.10345137010000 -0.64659086860000 3.05226534460000 3.73075668700000
0.34457677260000 -0.61046168950000 -0.12274148380000 1.55639618730000 -1.71184061370000 -1.56377375680000
0.10301632440000 -0.33753952840000 -0.65760167960000 -1.09848151720000 0.63226820270000 0.48657198460000
* g-type functions
5 5
5.63965501
3.02602675
1.54584783
0.75563311
0.31119559
0.01299757800000 -0.05760096340000 0.06928565020000 -0.27609298010000 1.95738340500000
-0.22517334050000 0.65381954330000 -0.94301649320000 -1.02170233820000 -2.73101156950000
-0.49903963940000 0.28654116240000 0.63068433180000 2.11336478020000 2.09364664860000
-0.37491328590000 -0.61333355910000 0.54754018900000 -1.82310246230000 -1.11957487390000
-0.11413131350000 -0.40187448930000 -0.97454384640000 0.84367492030000 0.37991942190000
* h-type functions
3 3
2.03437615
1.03650787
0.44340234
0.62170253420000 -1.04307251850000 0.87301713010000
0.36231381530000 0.78797919630000 -1.56050231690000
0.20242702620000 0.44845770830000 1.20652431350000
/Ag.ANO-R.Zobel.23s16p12d6f5g3h.15s12p11d6f5g3h.
J.P. Zobel, P.-O. Widmark, V. Veryazov. J. Chem. Theory Comput. 16 (2020) 278-294. doi:10.1021/acs.jctc.9b00873
SILVER (23s,16p,12d,6f,5g,3h) -> [15s,12p,11d,6f,5g,3h]
47.0 5
* s-type functions
23 15
37824054.15500000
6206260.38880000
1305792.50840000
333237.95183000
98645.66978900
32705.35856400
11823.18065400
4568.56226720
1860.04459340
789.88334740
347.32836245
157.23735443
72.87606700
34.34733718
16.30987344
7.70102531
3.54987778
1.55819888
0.63026175
0.22523360
0.06746554
0.01587824
0.00373700
0.00014073090000 -0.00004638330000 0.00002065650000 -0.00000864160000 0.00000210660000 -0.00000433470000 0.00000661510000 -0.00000992440000 0.00001102770000 -0.00001202600000 0.00002444380000 -0.00004987150000 0.00011612080000 -0.00040498620000 0.02153784770000
0.00043936380000 -0.00014490350000 0.00006453680000 -0.00002700250000 0.00000658340000 -0.00001355720000 0.00002071810000 -0.00003122080000 0.00003456650000 -0.00003590010000 0.00007437020000 -0.00016334150000 0.00069827110000 0.00392416750000 -0.09605943890000
0.00118040400000 -0.00038985930000 0.00017365810000 -0.00007264430000 0.00001770560000 -0.00003640300000 0.00005546990000 -0.00008281450000 0.00009239150000 -0.00010607670000 0.00021150350000 -0.00039732490000 0.00057919040000 -0.00135075440000 0.30381870560000
0.00289846800000 -0.00096041940000 0.00042797250000 -0.00017913750000 0.00004369080000 -0.00009012880000 0.00013817120000 -0.00021033610000 0.00023101870000 -0.00021274430000 0.00046304170000 -0.00119875660000 0.00600814790000 0.01083611660000 -0.75257316600000
0.00697037510000 -0.00232246530000 0.00103544840000 -0.00043302390000 0.00010547440000 -0.00021617950000 0.00032748480000 -0.00047956130000 0.00054342350000 -0.00074492350000 0.00139702120000 -0.00187854710000 -0.00173038150000 0.05017888970000 1.73063927880000
0.01668741380000 -0.00561881390000 0.00250823830000 -0.00105119260000 0.00025665560000 -0.00053199920000 0.00082288530000 -0.00128828110000 0.00138490580000 -0.00082855660000 0.00221631420000 -0.00892711310000 0.05475177820000 -0.03906206980000 -3.49775378060000
0.03983265490000 -0.01365739920000 0.00610749890000 -0.00255318570000 0.00062105350000 -0.00126463620000 0.00189156390000 -0.00265113350000 0.00311145950000 -0.00578984900000 0.00993591760000 -0.00511398100000 -0.06511572900000 0.17544353270000 6.30392976200000
0.09240507130000 -0.03292099180000 0.01478902720000 -0.00621642230000 0.00152066860000 -0.00317682090000 0.00498603030000 -0.00815749140000 0.00849279290000 -0.00081617990000 0.00828098640000 -0.07156635540000 0.55232495750000 0.72302568690000 -9.07020660290000
0.19543512650000 -0.07522045130000 0.03407974060000 -0.01426630580000 0.00346346110000 -0.00698283950000 0.01023541180000 -0.01330735140000 0.01661333590000 -0.04445469300000 0.07052770100000 0.01986815590000 -0.79342484730000 1.38124998810000 10.40564146250000
0.33210215430000 -0.15091032410000 0.06984455850000 -0.02964823250000 0.00728149270000 -0.01543563630000 0.02487584300000 -0.04385892490000 0.04346557700000 0.03200243030000 -0.00116964010000 -0.52156243720000 4.12390331750000 -5.58955966750000 -9.86674212340000
0.34630865880000 -0.21110681470000 0.10182160890000 -0.04294962090000 0.01035226820000 -0.02007820500000 0.02703976690000 -0.02307163210000 0.04143617390000 -0.27173896480000 0.38448698590000 0.59635317910000 -9.43324080310000 7.40639739740000 8.12995737520000
0.13841112630000 -0.05985688650000 0.02986054640000 -0.01411887460000 0.00382219510000 -0.01126519000000 0.02711785360000 -0.08953816290000 0.05854177600000 0.54591549000000 -0.66957005540000 -2.20370831620000 11.26888274420000 -6.67652008800000 -6.18486470230000
0.00227300530000 0.44423576390000 -0.30771949320000 0.14523951160000 -0.03671018790000 0.08407456970000 -0.15314295260000 0.36278114680000 -0.31458274980000 -1.13217489560000 0.98539454180000 8.37983528220000 -9.45533001540000 5.07475483620000 4.50917470090000
-0.00513181310000 0.58339075470000 -0.59029437090000 0.28602355510000 -0.06884086540000 0.12603830800000 -0.14544559480000 -0.04325155410000 -0.20267672600000 3.74188374010000 -4.64193427070000 -1.408011904890e1 6.62627890660000 -3.52696052880000 -3.15601747450000
-0.00263055800000 0.14088648570000 0.05640108460000 -0.01773803980000 -0.00082149590000 0.03799216150000 -0.16536845000000 0.87912363460000 -0.49431256060000 -7.10636722920000 10.26515459390000 13.99091139970000 -4.20985904690000 2.28093387870000 2.07881238970000
0.00066420080000 0.00110985450000 0.89246253670000 -0.80203984170000 0.22967945950000 -0.55768939690000 1.12118453960000 -3.84421558000000 4.42985854390000 7.73265669420000 -1.206050462880e1 -9.90158705340000 2.46533202390000 -1.35574497230000 -1.25483514640000
-0.00022318280000 -0.00307787550000 0.33483520940000 -0.34117581040000 0.07515411580000 -0.15884725380000 0.04749400020000 5.00501558810000 -8.30489608890000 -5.51282329130000 9.23959703730000 5.58815823850000 -1.30858119820000 0.72495849910000 0.67756750840000
0.00013770240000 0.00307945160000 -0.00165740270000 0.95606716120000 -0.32602564890000 1.17945052070000 -2.84220512720000 -2.26925757870000 8.58611580540000 2.86277574460000 -5.35199377530000 -2.68382656190000 0.61698409590000 -0.34283522320000 -0.32210540570000
-0.00005903840000 0.00090560540000 0.00754738210000 0.48002238930000 -0.34400693050000 -0.03509062040000 3.21742015680000 -1.07867113650000 -6.29966142930000 -1.10950082740000 2.62639943350000 1.14006057440000 -0.25637777450000 0.14264165380000 0.13435296240000
0.00002104380000 0.00013452000000 -0.00197195970000 0.00144711160000 0.24777187550000 -1.46699450800000 -1.02738775560000 2.39164294350000 3.77801842410000 0.20084777420000 -1.22496938310000 -0.44590955850000 0.09468413060000 -0.05273079890000 -0.04972471590000
-0.00000713360000 -0.00003028590000 0.00067211260000 0.00510139640000 0.87158098580000 0.50460385330000 -0.73554845020000 -2.05285342400000 -1.99424061200000 0.31576201600000 0.69754531340000 0.18104324000000 -0.03181407810000 0.01776120960000 0.01676504570000
0.00000234470000 0.00001097090000 -0.00022558240000 -0.00149964770000 0.10993707350000 0.66800809840000 1.04698250700000 1.22105372640000 0.91345802090000 -0.96055877580000 -0.76799151080000 -0.11814263770000 0.01028232300000 -0.00582321430000 -0.00551669840000
-0.00000069420000 -0.00000321370000 0.00006661940000 0.00045296160000 -0.01327755350000 -0.11931510210000 -0.20242949510000 -0.24803320330000 -0.15633149890000 1.25345965650000 0.80938371740000 0.09812360910000 -0.00283154880000 0.00169561070000 0.00162730830000
* p-type functions
16 12
218098.14294000
36047.93421500
8631.21839770
2679.74841870
992.25821624
412.37886964
184.43233740
86.34005902
41.56879987
20.34087970
10.01266409
4.89376979
2.32774658
1.04423935
0.42154310
0.17017036
0.00009038580000 -0.00003949670000 0.00001609340000 -0.00000500000000 0.00001780750000 -0.00002504400000 0.00002969020000 -0.00006562520000 0.00010095460000 -0.00026640210000 0.00008191930000 -0.00045150100000
0.00044592230000 -0.00019541840000 0.00007974790000 -0.00002432310000 0.00008860600000 -0.00013092580000 0.00017948740000 -0.00012558280000 0.00090157040000 -0.00033460920000 0.00517177660000 -0.00634200650000
0.00212689930000 -0.00093404510000 0.00038048970000 -0.00012003420000 0.00042005560000 -0.00056589630000 0.00057298180000 -0.00235292790000 0.00087408820000 -0.01052559610000 -0.01444137120000 -0.04100784150000
0.00894652360000 -0.00396465440000 0.00162208370000 -0.00048778110000 0.00180853590000 -0.00277825870000 0.00419036960000 0.00053308730000 0.02496918990000 0.00634064780000 0.18651136190000 -0.03523344510000
0.03263367400000 -0.01463566530000 0.00597552630000 -0.00190927040000 0.00659799120000 -0.00859396300000 0.00741549040000 -0.04754075970000 -0.00219697560000 -0.23389468550000 -0.37866360650000 -2.21963830720000
0.09975117850000 -0.04624834080000 0.01906564720000 -0.00567271270000 0.02140569330000 -0.03414521530000 0.05534271130000 0.03338942040000 0.37922039480000 0.12578207230000 3.08606064960000 4.03709086220000
0.23590415020000 -0.11440289360000 0.04721775360000 -0.01537339900000 0.05244181370000 -0.06597254650000 0.04405971860000 -0.49556361450000 -0.13776102840000 -2.62664019260000 -5.99297298880000 -4.13205232960000
0.38286987510000 -0.19916573720000 0.08400434770000 -0.02400366490000 0.09596039930000 -0.16881858920000 0.32647799020000 0.58279343580000 2.18905009400000 6.27742240070000 6.61150354390000 3.33428978070000
0.32718514480000 -0.13877498340000 0.05363354990000 -0.02183504690000 0.05363828490000 0.01125147140000 -0.33938098450000 -2.21551452150000 -6.10909809220000 -7.52666590860000 -5.43786549600000 -2.41657346720000
0.09760259260000 0.21594480500000 -0.11714075760000 0.05126009160000 -0.16472707160000 0.14938788520000 0.45473908860000 6.31702262400000 7.57585770360000 6.23473401780000 3.79413125980000 1.64503006390000
-0.00002583710000 0.55766269080000 -0.33818209850000 0.08273722930000 -0.40324344110000 0.96799841820000 -2.98944084810000 -8.80258304300000 -5.99397631500000 -4.11889906700000 -2.38135489830000 -1.04919498560000
-0.00450185630000 0.34018944460000 -0.16393146940000 0.10527806230000 -0.14047824620000 -1.01357134260000 6.18724134360000 7.50352496050000 3.58127802020000 2.33417121330000 1.35730104300000 0.61104613180000
-0.00048611890000 0.03598459850000 0.45524565790000 -0.30134077010000 1.29135110130000 -1.39433441930000 -6.60679601300000 -4.51659069520000 -1.77368815160000 -1.16309052420000 -0.68892689620000 -0.31469294380000
-0.00014074450000 0.00369990770000 0.58860452640000 -0.03479620540000 -0.14644648460000 3.17658862160000 4.56627133460000 2.09650814190000 0.76177586360000 0.50758321520000 0.30424191260000 0.13995725250000
0.00002034760000 -0.00067631770000 0.17210681810000 -0.42065536620000 -1.59396060030000 -2.71054854660000 -2.31827445770000 -0.81728799820000 -0.29209101190000 -0.19625218790000 -0.11818808560000 -0.05451506810000
-0.00001122790000 0.00029655900000 0.00122570640000 1.28135148730000 1.01339241090000 1.08420011390000 0.76095700620000 0.23970352790000 0.08583613060000 0.05785246660000 0.03490542970000 0.01611423580000
* d-type functions
12 11
1141.55376060
335.85758114
125.06387993
53.60612060
24.74631594
11.75883186
5.57532771
2.57508569
1.13102674
0.45788580
0.16326838
0.05821662
0.00103817510000 -0.00033542190000 0.00040018320000 -0.00047981430000 0.00057863900000 -0.00037716940000 0.00065049250000 -0.01339810930000 0.04659577420000 -0.03065721350000 1.28403497660000
0.00901484900000 -0.00294431720000 0.00347858660000 -0.00456771670000 0.00857200710000 -0.00811807450000 0.01017394110000 0.00615207080000 -0.25126986310000 -1.54085125190000 -1.22656754920000
0.04590651530000 -0.01502321530000 0.01796267900000 -0.02192132390000 0.02875806730000 -0.02068640470000 0.03371405320000 -0.64650356010000 1.86844757890000 1.80199521630000 1.00293891290000
0.14770768030000 -0.04940373720000 0.05865985880000 -0.07715694900000 0.14973253940000 -0.14624132880000 0.18751776010000 -0.27261698650000 -3.81334255740000 -1.45870930560000 -0.78392123650000
0.30629959750000 -0.10126653750000 0.12279510190000 -0.15088121460000 0.16064774690000 -0.07376029360000 0.12283751110000 -0.20941279860000 4.53473048170000 1.03497954030000 0.57257710850000
0.40336070880000 -0.12686718730000 0.14014965380000 -0.17372490110000 0.37737135470000 -0.40478026790000 0.44270355460000 1.83486180990000 -3.76032216290000 -0.66729316660000 -0.37932097170000
0.27081320650000 -0.01356972430000 0.00985023150000 0.07489088640000 -0.97225294900000 1.46604450730000 -2.05479018260000 -2.29628942840000 2.40505348010000 0.38826584110000 0.22445969290000
0.05722138770000 0.27517464310000 -0.53414336880000 1.02245752860000 -0.11656498860000 -1.60086415660000 2.91205200330000 1.65357317120000 -1.28298593700000 -0.20240549690000 -0.11807616060000
0.00371072480000 0.44249314780000 -0.35660772660000 -0.84700618340000 1.43077107570000 0.80050628020000 -2.63642626280000 -0.89072909160000 0.60027214190000 0.09417652910000 0.05514053400000
0.00057859450000 0.36994630900000 0.55581780970000 -0.44853105250000 -1.52054377820000 0.15615463480000 1.94928966730000 0.40595553960000 -0.25199270820000 -0.03912496080000 -0.02292082600000
0.00031183420000 0.13614439830000 0.48291570320000 0.80855986660000 0.68872475670000 -0.95262110170000 -1.39690455080000 -0.17359581200000 0.09964852960000 0.01508023080000 0.00882697450000
-0.00001966190000 0.00202385350000 0.01499011960000 0.06854964480000 0.21256598250000 1.14581391120000 0.83815058980000 0.06571525950000 -0.03412426610000 -0.00492877690000 -0.00287919790000
* f-type functions
6 6
6.14102017
3.94867620
2.43646975
1.32479050
0.62708673
0.26066728
0.05588032540000 -0.06867975680000 0.29229661380000 -0.44536146020000 2.81319921820000 -3.47187950230000
0.02691310120000 0.23037639220000 -0.84969154500000 1.68605295570000 -3.04787642760000 8.74348245440000
0.26591200190000 0.50890251070000 -0.46846749310000 -0.64433840110000 0.42006745170000 -9.10909836000000
0.39769171890000 0.19344275690000 1.01957356400000 -1.50647612160000 0.82618448770000 5.36926921890000
0.36734707640000 -0.57663822650000 0.23767015530000 1.96016500700000 -0.65803225440000 -2.28230562040000
0.12170982180000 -0.42323446010000 -0.82238852000000 -1.11145169450000 0.25598276950000 0.69840783390000
* g-type functions
5 5
6.26951404
3.25669701
1.69695539
0.83015703
0.34640338
0.01139911170000 -0.05071737700000 0.04154852320000 -1.11379893350000 1.53202341490000
-0.23443085630000 0.65238792840000 -0.85135635410000 0.26946560810000 -2.89977094980000
-0.50095570020000 0.26041574010000 0.49349030250000 0.95116532160000 2.92871431910000
-0.36223722960000 -0.60001536900000 0.68398885850000 -1.09377972590000 -1.85020620820000
-0.11098978720000 -0.41685845480000 -1.03119900090000 0.53982118030000 0.70292408360000
* h-type functions
3 3
2.12156601
1.08204887
0.46984605
0.68422993370000 -0.81129737690000 1.06260628340000
0.30795102020000 0.47156773680000 -1.71767072420000
0.18186651270000 0.69397102350000 1.10733801900000
/Cd.ANO-R.Zobel.23s16p12d6f5g3h.16s12p11d6f5g3h.
J.P. Zobel, P.-O. Widmark, V. Veryazov. J. Chem. Theory Comput. 16 (2020) 278-294. doi:10.1021/acs.jctc.9b00873
CADMIUM (23s,16p,12d,6f,5g,3h) -> [16s,12p,11d,6f,5g,3h]
48.0 5
* s-type functions
23 16
45247966.44200000
8150312.80150000
1815849.92440000
479138.07961000
144519.66574000
48433.30502500
17636.98242500
6859.88440600
2813.19016460
1204.66751490
534.72136930
244.56052158
114.61505031
54.71084466
26.40186721
12.75387846
6.08649826
2.81985771
1.23986477
0.50267692
0.18128794
0.05565715
0.01708728
0.00011454730000 -0.00005736700000 0.00002423640000 -0.00000833650000 0.00000201450000 -0.00000316330000 0.00000543430000 -0.00000697070000 0.00000716280000 -0.00001508490000 0.00003295630000 -0.00006410210000 0.00010215550000 -0.00113626510000 0.00295531210000 -0.01313305780000
0.00034839120000 -0.00017454860000 0.00007376300000 -0.00002537320000 0.00000613100000 -0.00000962480000 0.00001652970000 -0.00002112180000 0.00002176710000 -0.00004743760000 0.00009552710000 -0.00020149010000 0.00012727640000 -0.00281146960000 -0.01366558150000 0.04981520600000
0.00090462440000 -0.00045359950000 0.00019176130000 -0.00006597010000 0.00001594320000 -0.00002504080000 0.00004302990000 -0.00005539870000 0.00005676990000 -0.00011557970000 0.00027258070000 -0.00048133940000 0.00089360510000 0.01213639480000 0.03353523210000 -0.16110777260000
0.00214947170000 -0.00107986520000 0.00045708720000 -0.00015728360000 0.00003800040000 -0.00005962580000 0.00010234350000 -0.00012977890000 0.00013451750000 -0.00031276740000 0.00053512690000 -0.00137934150000 0.00027618170000 -0.05945434570000 -0.08421633320000 0.53698959040000
0.00500017490000 -0.00252012390000 0.00106834030000 -0.00036778510000 0.00008891430000 -0.00013977970000 0.00024047610000 -0.00031393270000 0.00031843780000 -0.00056444740000 0.00176602140000 -0.00216415810000 0.00730923740000 0.15725301770000 0.11870985470000 -1.46302949710000
0.01156412860000 -0.00586406000000 0.00249573050000 -0.00085973580000 0.00020764310000 -0.00032534930000 0.00055737940000 -0.00069065370000 0.00072844430000 -0.00201019380000 0.00201656220000 -0.00952118410000 -0.00613168420000 -0.53650106720000 0.08547731300000 3.14455851600000
0.02681435700000 -0.01373412140000 0.00587314120000 -0.00202625050000 0.00049025870000 -0.00077231820000 0.00133258400000 -0.00179367420000 0.00177961700000 -0.00212120340000 0.01275805610000 -0.00555785620000 0.06747206020000 1.08356376280000 -0.56961426080000 -5.98702737350000
0.06117322120000 -0.03198017020000 0.01384642180000 -0.00478719420000 0.00115566140000 -0.00180632160000 0.00308312580000 -0.00365905940000 0.00398825210000 -0.01418378140000 0.00229225870000 -0.07196904670000 -0.11957412440000 -2.30545904020000 0.92255253250000 6.26514305880000
0.13164863370000 -0.07163268100000 0.03163306740000 -0.01099778880000 0.00266539910000 -0.00421288050000 0.00730578060000 -0.01029701630000 0.00989383120000 -0.00315949310000 0.09502264820000 0.02159135490000 0.62544025230000 1.04873477840000 -3.66353802800000 -4.24122620060000
0.24379408880000 -0.14484223870000 0.06700170990000 -0.02351007100000 0.00567587760000 -0.00883714460000 0.01499129590000 -0.01646457780000 0.01907794570000 -0.09458363030000 -0.05844616120000 -0.55044148350000 -1.17774643990000 -1.00512953760000 9.46542144130000 2.13035339610000
0.32391406130000 -0.23002039910000 0.11493012960000 -0.04118877870000 0.01003698550000 -0.01600390160000 0.02812051130000 -0.04406305750000 0.03949404270000 0.06717213140000 0.62025404610000 0.32486370760000 4.99463904680000 3.89268644110000 -1.391249060380e1 -0.64071180140000
0.21950815720000 -0.20009138880000 0.11199255740000 -0.04117817240000 0.00990294660000 -0.01497538240000 0.02422867700000 -0.01003210040000 0.02656010700000 -0.46740297520000 -1.00265425940000 -2.12187380230000 -1.217059723590e1 -5.62567890620000 14.01809617090000 -0.02273481400000
0.07019950180000 0.12377070600000 -0.11077489890000 0.04485248940000 -0.01074459250000 0.01538395840000 -0.02243631810000 -0.02541753720000 -0.01493387290000 1.08415495340000 2.57073586640000 8.76810464680000 16.65109288130000 5.15805914400000 -1.131599605500e1 0.13641525830000
0.08557665090000 0.51870927370000 -0.55285666020000 0.24892471750000 -0.06295168110000 0.10421190060000 -0.19364541530000 0.39501351220000 -0.32343497320000 -1.78355743350000 -8.94248101070000 -1.420143454580e1 -1.581220187670e1 -3.84635685870000 8.12974292810000 -0.08101818480000
0.05325458450000 0.32703349490000 -0.49626836870000 0.24852355650000 -0.06193252870000 0.08900066800000 -0.12959912190000 -0.13887324630000 -0.05864445290000 5.90038067570000 15.58245943150000 13.79118176460000 11.90178717060000 2.58806258050000 -5.45870392470000 0.02746752840000
0.01412054700000 0.10730009700000 0.48629616080000 -0.34240564440000 0.08924216320000 -0.12920287970000 0.19062464720000 0.35341988860000 0.09243773510000 -1.279825975480e1 -1.570969472340e1 -9.84357987700000 -7.66817701420000 -1.61699649510000 3.43982706200000 -0.00338102150000
0.01169321080000 0.10652061210000 0.75672906230000 -0.90296100090000 0.27663559010000 -0.49772663650000 1.03818640540000 -3.05737995990000 2.78698087320000 15.60362596340000 10.83581338180000 5.77919131430000 4.39618658730000 0.93173939200000 -1.99859995800000 -0.00292380020000
0.00146616900000 0.01276772450000 0.11430540370000 0.24539909490000 -0.11757936740000 0.28758960910000 -0.86855253520000 5.49806476680000 -6.69168683690000 -1.221797623790e1 -5.81315541340000 -2.96117545050000 -2.26840583130000 -0.48681292280000 1.04958945610000 0.00284670180000
0.00022343840000 0.00318127890000 0.03182458320000 0.94824362200000 -0.39279560790000 0.85785391220000 -2.00322642330000 -4.20878586580000 7.81040319220000 6.99220687180000 2.65085517730000 1.35746507940000 1.05190691440000 0.22778944520000 -0.49235960510000 -0.00161893360000
-0.00003019140000 -0.00024459770000 0.00435751370000 0.22087006230000 -0.27387365260000 -0.26493956280000 3.67641588100000 0.92623015980000 -6.20416567060000 -3.26202102010000 -1.08174404170000 -0.56177031940000 -0.43841335850000 -0.09536306670000 0.20634511150000 0.00073000160000
0.00002185190000 0.00025049410000 0.00066642440000 -0.00682749240000 0.61612643700000 -1.52396910650000 -2.19237463110000 1.30973336580000 4.06231286650000 1.35505833710000 0.40562715570000 0.21237043720000 0.16612683530000 0.03618741720000 -0.07833237960000 -0.00028516580000
-0.00000809860000 -0.00009146260000 -0.00024058480000 0.00325458030000 0.66815499030000 1.08267915390000 0.08890234050000 -2.00686551540000 -2.57798353950000 -0.55200839160000 -0.14496593210000 -0.07621661690000 -0.05954546100000 -0.01296128390000 0.02805707600000 0.00010314560000
0.00000237870000 0.00002691920000 0.00007394110000 -0.00079126690000 -0.01016368530000 0.30215248170000 0.64612110140000 1.33803080910000 1.25716333330000 0.18993514360000 0.04220735630000 0.02224674450000 0.01731477780000 0.00376022620000 -0.00813821490000 -0.00002996530000
* p-type functions
16 12
244178.12623000
40113.95506700
9542.49420120
2944.97047850
1085.09173570
449.31551091
200.47864451
93.74074740
45.12362228
22.09561191
10.89347624
5.33847572
2.55018010
1.15186275
0.47002500
0.19179672
0.00008780840000 -0.00004075530000 0.00001648650000 -0.00000485080000 0.00001296300000 -0.00002009010000 0.00002376340000 -0.00007122550000 0.00010961910000 -0.00026861120000 0.00047163830000 -0.00179301320000
0.00042770430000 -0.00019906180000 0.00008065520000 -0.00002328990000 0.00006358740000 -0.00009941420000 0.00016993490000 -0.00020843450000 0.00096355970000 -0.00052414950000 0.00558957490000 0.01304247420000
0.00201465570000 -0.00093954970000 0.00038006580000 -0.00011363380000 0.00029838730000 -0.00045908710000 0.00032754020000 -0.00222752150000 0.00091280700000 -0.00968612370000 0.01114118080000 0.03240923820000
0.00841790360000 -0.00395953580000 0.00160918990000 -0.00045762470000 0.00127108750000 -0.00200316150000 0.00429390400000 -0.00187584730000 0.02686831660000 -0.00054721130000 0.15786246080000 0.20798272940000
0.03069689350000 -0.01460006720000 0.00592433560000 -0.00179573760000 0.00465019220000 -0.00711879020000 0.00221295370000 -0.04291047910000 -0.00196287250000 -0.21328235060000 0.46392330260000 1.79427596260000
0.09437911860000 -0.04631469290000 0.01899880970000 -0.00534068270000 0.01505366370000 -0.02393652540000 0.05967001640000 -0.00234951770000 0.40819175660000 0.01622701090000 1.41010667470000 -4.39973101960000
0.22590614070000 -0.11569503590000 0.04760257530000 -0.01471075110000 0.03743361250000 -0.05708716210000 -0.01197549520000 -0.44281189060000 -0.15322973350000 -2.41832791580000 -4.16468829990000 5.60408607210000
0.37422166570000 -0.20513895170000 0.08646660500000 -0.02332817060000 0.06935841840000 -0.11357446120000 0.41112790150000 0.32216540900000 2.14788199910000 6.09452974590000 5.13144455700000 -5.22043269800000
0.33250232620000 -0.15530668550000 0.06046723450000 -0.02310260290000 0.04641039620000 -0.06275053420000 -0.58578993870000 -1.81157237630000 -6.09961464040000 -7.52323882400000 -4.39093750320000 4.05588377790000
0.11092288240000 0.19418119380000 -0.11168167970000 0.04744399570000 -0.09619169890000 0.16457151970000 1.30842349600000 5.86172599490000 7.76696044910000 6.41629011420000 3.10470348190000 -2.81787952420000
0.01297245310000 0.55279934120000 -0.34706370980000 0.08005545870000 -0.30373375010000 0.57051097270000 -4.47532990590000 -8.00101199870000 -6.36842699320000 -4.36384132460000 -1.96090099270000 1.79887788930000
0.00295195230000 0.35395485530000 -0.18476378550000 0.11240559010000 -0.19444975820000 0.23217675690000 7.45486858820000 6.39532020680000 3.95452017890000 2.53183380400000 1.12512791180000 -1.04676312910000
0.00023227430000 0.04410687660000 0.44754232830000 -0.28625432420000 0.81648892180000 -2.98270122400000 -6.92906144910000 -3.59788724760000 -2.01783141070000 -1.28041123850000 -0.57568482060000 0.54065301220000
-0.00008918530000 0.00858717090000 0.59814734080000 -0.04985696370000 0.66778979360000 4.09073333340000 4.21857013160000 1.59668051070000 0.87806490570000 0.56294100550000 0.25628955210000 -0.24183885440000
-0.00001472760000 0.00067734160000 0.17472449390000 -0.44566992160000 -2.22577786800000 -2.81165010330000 -1.91590582130000 -0.60650424130000 -0.33644245770000 -0.21798211280000 -0.10000489590000 0.09455521730000
-0.00000251430000 0.00030263290000 0.00132974110000 1.30124339110000 1.24726118450000 1.01443626290000 0.59105855550000 0.17486516370000 0.09805661450000 0.06389614430000 0.02941867830000 -0.02783542850000
* d-type functions
12 11
1310.48464680
384.37545689
143.05442788
61.40629459
28.44490777
13.59684464
6.50730384
3.04778189
1.36570792
0.56839816
0.21029758
0.07780650
0.00088719680000 -0.00029938800000 0.00036787830000 -0.00043954110000 0.00053960560000 -0.00027157670000 0.00013531630000 -0.00594130600000 0.00621815370000 -0.03104818060000 0.24252136250000
0.00773031560000 -0.00263586240000 0.00320786730000 -0.00366386970000 0.00551998200000 -0.00513096380000 0.01420971090000 0.01737393160000 -0.11159668470000 -0.00828173730000 -1.77846625020000
0.04012661510000 -0.01371073450000 0.01690916370000 -0.02022376050000 0.02562061250000 -0.01437228270000 0.01476739660000 -0.24279653500000 0.15210625710000 -1.87617078360000 2.26373894590000
0.13289214960000 -0.04637794010000 0.05709909610000 -0.06623915620000 0.10278054500000 -0.09820842680000 0.27382190470000 0.36548089400000 -2.25449738590000 2.88877373170000 -2.03621022840000
0.28767536260000 -0.09979583550000 0.12459040560000 -0.15322458880000 0.18580852730000 -0.08083789530000 -0.04013513840000 -2.37013630210000 3.66573132230000 -2.52071761600000 1.53320047710000
0.40010890970000 -0.13307697150000 0.14682636860000 -0.12806305780000 0.18784960820000 -0.25518768860000 1.08197600030000 4.33130737870000 -3.05529805570000 1.66443097300000 -1.01461607720000
0.29529447170000 -0.03730262320000 0.01011743610000 0.00772019580000 -0.28016193990000 0.63058741910000 -3.14592578060000 -4.03578927630000 1.78442307260000 -0.94418019120000 0.60123141230000
0.07325515240000 0.25241792110000 -0.45618740500000 0.81773221890000 -1.04209053700000 0.05510621520000 3.76859499150000 2.50337314790000 -0.87966237800000 0.48715955800000 -0.32021753880000
0.00424164320000 0.44640425610000 -0.43461456570000 -0.31905093950000 1.89427973120000 -1.11417337810000 -2.83504649070000 -1.20936619420000 0.40233576440000 -0.22982656340000 0.15259679130000
0.00005293490000 0.38150673440000 0.50017063190000 -0.90036779030000 -1.26714420810000 1.66210308490000 1.63029007380000 0.50605672340000 -0.17082698090000 0.09778257270000 -0.06485082190000
0.00003237670000 0.13746845620000 0.54668190770000 0.88146999750000 0.05989882920000 -1.76807917370000 -0.84475048240000 -0.19784557450000 0.06836547940000 -0.03852991900000 0.02540299850000
-0.00001156380000 0.00301919930000 0.02859819540000 0.18920982750000 0.62049076020000 1.29884473750000 0.36480918770000 0.06504564770000 -0.02316932320000 0.01267435670000 -0.00826689210000
* f-type functions
6 6
5.31502772
3.04125397
1.75673795
0.93235919
0.43917302
0.18400886
0.09561994170000 -0.04087130800000 0.00583326400000 -0.00629990030000 0.13677193960000 -3.00071785930000
0.12080070370000 -0.37240656560000 0.95580265440000 -1.35268602490000 -2.33643710600000 5.50024331900000
0.35994158470000 -0.41885131080000 -0.24860055210000 1.75013023630000 4.51305400020000 -4.65098089600000
0.38257823200000 0.15699956390000 -1.00706587380000 -0.15993584360000 -4.17182467040000 2.34751133520000
0.24135908960000 0.64501854900000 0.41585705510000 -1.17786965270000 2.51031266420000 -0.83911111200000
0.03526393360000 0.21724510510000 0.53765328850000 1.11340537020000 -1.00347617550000 0.21607741630000
* g-type functions
5 5
2.08493505
3.96589323
1.07573478
0.55583465
0.24157171
0.40121810830000 -0.64128324870000 0.42939321270000 -0.34673556720000 3.06678538000000
0.08187520750000 -0.27377710840000 0.43908339010000 -0.33630323420000 -1.84034061160000
0.43487085320000 0.23414038170000 -1.17757375320000 1.70083702520000 -2.69821553440000
0.23653188480000 0.55294595990000 0.37473044910000 -2.12526983700000 1.44644185880000
0.05678797260000 0.23337667760000 0.67237915720000 1.27212050700000 -0.40096167770000
* h-type functions
3 3
2.59000452
1.26603244
0.53152979
0.41088147320000 -0.46806082900000 1.27997414740000
0.54854897550000 -0.22914582370000 -1.57819357050000
0.23713928400000 0.99077587910000 0.76652856100000
/In.ANO-R.Zobel.23s18p12d6f5g3h.15s14p10d6f5g3h.
J.P. Zobel, P.-O. Widmark, V. Veryazov. J. Chem. Theory Comput. 16 (2020) 278-294. doi:10.1021/acs.jctc.9b00873
INDIUM (23s,18p,12d,6f,5g,3h) -> [15s,14p,10d,6f,5g,3h]
49.0 5
* s-type functions
23 15
47126051.59700000
8688655.04520000
1958773.56550000
519327.39448000
156807.24127000
52531.08578900
19121.62296100
7439.73315900
3054.73344390
1310.64197510
583.05768433
267.20724343
125.40521645
59.89958391
28.90881264
13.97007051
6.68126482
3.11504797
1.38884792
0.57797558
0.21787749
0.07173101
0.02361574
0.00011720590000 -0.00005877830000 0.00002689950000 -0.00001062320000 0.00000236700000 -0.00000084620000 0.00000516970000 -0.00000645510000 0.00000919270000 -0.00001580040000 0.00004020460000 -0.00005702490000 0.00006083180000 -0.00030139350000 0.00433834770000
0.00035334470000 -0.00017726930000 0.00008114570000 -0.00003204820000 0.00000714040000 -0.00000255370000 0.00001559120000 -0.00001943380000 0.00002755660000 -0.00004952050000 0.00011697620000 -0.00019668000000 0.00040523940000 0.00047916260000 -0.03291391140000
0.00091127350000 -0.00045754330000 0.00020951680000 -0.00008275960000 0.00001844150000 -0.00000659050000 0.00004028880000 -0.00005038550000 0.00007204230000 -0.00011868810000 0.00032243520000 -0.00037240710000 -0.00036197450000 0.00012393850000 0.11984710590000
0.00215088540000 -0.00108195370000 0.00049600480000 -0.00019597860000 0.00004366580000 -0.00001562760000 0.00009529670000 -0.00011839610000 0.00016649010000 -0.00032432360000 0.00066371740000 -0.00139284940000 0.00197963340000 0.00873766550000 -0.32356630330000
0.00496947070000 -0.00250778410000 0.00115129650000 -0.00045515500000 0.00010146320000 -0.00003621420000 0.00022188950000 -0.00027920460000 0.00040521660000 -0.00056149790000 0.00199999150000 -0.00147706540000 0.00577179720000 -0.11501761910000 0.81291159750000
0.01140168770000 -0.00578789140000 0.00266669410000 -0.00105514100000 0.00023512370000 -0.00008431680000 0.00051234620000 -0.00063013480000 0.00086363720000 -0.00209057380000 0.00273140000000 -0.00993321820000 -0.01040137840000 0.42889443120000 -1.70954490850000
0.02621644490000 -0.01343987890000 0.00621966630000 -0.00246545170000 0.00055020160000 -0.00019584020000 0.00120613580000 -0.00153966940000 0.00230926440000 -0.00190542400000 0.01371164320000 0.00010354600000 0.07358708180000 -0.74453125320000 2.74535836090000
0.05933264960000 -0.03101697300000 0.01451503210000 -0.00576917560000 0.00128654680000 -0.00046295010000 0.00279556520000 -0.00337246290000 0.00439370650000 -0.01490338730000 0.00647461420000 -0.07613924300000 -0.13717624540000 0.30795330060000 -0.91702521060000
0.12704627400000 -0.06900444900000 0.03287093900000 -0.01315119740000 0.00294407170000 -0.00104356470000 0.00648070550000 -0.00846748800000 0.01333748690000 -0.00046881640000 0.09790093160000 0.07052193580000 0.49433681080000 3.93213465940000 -1.29417683160000
0.23581391750000 -0.13913713050000 0.06909177090000 -0.02795010800000 0.00625837000000 -0.00226474360000 0.01353982080000 -0.01579573580000 0.01867976040000 -0.10109589290000 -0.03104452110000 -0.61582449620000 -1.06462569850000 -8.77279564400000 4.18096708220000
0.31952790340000 -0.22320987370000 0.11885527870000 -0.04925283070000 0.01115074380000 -0.00391266630000 0.02481318500000 -0.03425255780000 0.05978065170000 0.08769208280000 0.63285804400000 0.61162796160000 5.23743632570000 10.16524738790000 -7.37263768960000
0.22748641460000 -0.20372080100000 0.12067909660000 -0.05146258550000 0.01164432500000 -0.00436451880000 0.02444535910000 -0.02208365170000 0.00261228320000 -0.52231114090000 -0.90054825000000 -2.88312723810000 -1.250438346410e1 -8.99508627410000 8.00961801620000
0.07490729540000 0.09280925970000 -0.09049812950000 0.04314261230000 -0.00995122450000 0.00406530000000 -0.01911926950000 0.00199906120000 0.07146715870000 1.19031675900000 2.08348289310000 9.92185928790000 16.54272449300000 7.01922447900000 -6.52271704670000
0.08791889640000 0.48632674450000 -0.53403404920000 0.28000813890000 -0.06833867300000 0.02328202170000 -0.16057506870000 0.26274763850000 -0.57565319960000 -2.07655591530000 -8.16270946970000 -1.569156471750e1 -1.523569790020e1 -5.07212562610000 4.64540591550000
0.06043184090000 0.32886980650000 -0.52530821860000 0.30640837770000 -0.07615534750000 0.03000278630000 -0.15295580510000 0.06961392740000 0.31718426480000 6.52609105580000 14.71678086890000 15.49226405110000 11.23776902260000 3.45123349910000 -3.10738814680000
0.01446085420000 0.12601342510000 0.40899445910000 -0.33740804180000 0.09137584140000 -0.03859563330000 0.19075319610000 -0.02094205660000 -0.77524935490000 -1.360358869880e1 -1.495771009700e1 -1.137119820470e1 -7.20827977190000 -2.20784328860000 1.97049907130000
0.01150955400000 0.14037341210000 0.71358630900000 -0.98126387690000 0.31667582340000 -0.10352408780000 0.83966965160000 -1.72921355480000 4.83263934440000 16.32548068280000 10.36790259210000 6.86540762650000 4.18730098940000 1.30985600490000 -1.16473352130000
0.00148940710000 0.02013277490000 0.14406995860000 0.17200708560000 -0.10151460130000 0.01676510700000 -0.51697759120000 2.22547106500000 -9.58348859420000 -1.275619110120e1 -5.62789264490000 -3.62076602560000 -2.22366394150000 -0.70904265870000 0.62941017890000
0.00009109700000 0.00430725320000 0.09839083340000 0.96434531900000 -0.46909637860000 0.21485401490000 -1.62052783770000 0.78002638550000 10.20481337920000 7.33337442170000 2.62848689030000 1.71883430190000 1.07386289020000 0.34628566480000 -0.30711389450000
-0.00009048270000 -0.00012071140000 0.02221761780000 0.24608155560000 -0.30940012100000 0.05038679990000 1.54076965400000 -3.97592355480000 -7.23303817880000 -3.42567625210000 -1.11246860760000 -0.74216048090000 -0.46942897710000 -0.15219633510000 0.13491628470000
0.00003223410000 0.00031676820000 0.00005769710000 -0.00809038850000 0.69725011250000 -0.14529706150000 1.05934832230000 4.33039406750000 3.86566938900000 1.39521987240000 0.43493203730000 0.29311767190000 0.18650131520000 0.06061307010000 -0.05372056770000
-0.00001238950000 -0.00012204190000 -0.00002647960000 0.00335776190000 0.62631014060000 -1.11819469160000 -2.02387492330000 -2.79947636260000 -1.70023397340000 -0.52093729430000 -0.15949427480000 -0.10787763700000 -0.06879207740000 -0.02238003440000 0.01983391200000
0.00000357340000 0.00003528340000 0.00001177540000 -0.00090773180000 -0.01061067210000 1.63130974190000 0.88204253710000 0.97840097180000 0.51941931350000 0.14981995430000 0.04564970030000 0.03090744640000 0.01972232150000 0.00641843580000 -0.00568815700000
* p-type functions
18 14
236884.77532000
39827.83950100
9497.94215590
2913.55019760
1065.81638380
439.21846810
195.63132762
91.47907917
44.01861597
21.48931086
10.52082988
5.10285687
2.41282969
1.08672176
0.45084417
0.16435896
0.04939250
0.01484324
0.00009694020000 -0.00004674080000 0.00001913910000 -0.00000418910000 0.00000882040000 -0.00001341480000 0.00001855580000 -0.00000972770000 0.00002963450000 -0.00007167480000 0.00006536420000 -0.00028901160000 0.00256238880000 -0.00548703660000
0.00046248780000 -0.00022354200000 0.00009167730000 -0.00002007570000 0.00004235680000 -0.00006380510000 0.00009227620000 -0.00005817740000 0.00017691340000 -0.00019844400000 0.00077168260000 -0.00020942700000 -0.02019024190000 0.02736760220000
0.00219080280000 -0.00106182020000 0.00043491400000 -0.00009517540000 0.00020006850000 -0.00030691250000 0.00040843880000 -0.00017490220000 0.00053513230000 -0.00221389390000 -0.00055671640000 -0.00798208410000 0.05041455480000 -0.13193326230000
0.00923212380000 -0.00451000220000 0.00185577970000 -0.00040668590000 0.00085932210000 -0.00128413090000 0.00192464740000 -0.00136604620000 0.00415667860000 -0.00176449630000 0.02357900340000 0.00074928770000 -0.35126833220000 0.02610981180000
0.03383735050000 -0.01674456680000 0.00688598080000 -0.00150750050000 0.00316469210000 -0.00489347830000 0.00630236170000 -0.00215607040000 0.00667321230000 -0.04327644360000 -0.03505045760000 -0.12241161800000 -0.33993684740000 -2.04400846820000
0.10310517060000 -0.05263317840000 0.02189743040000 -0.00480784030000 0.01017194470000 -0.01510626930000 0.02340075260000 -0.01815478950000 0.05545337580000 0.00033865280000 0.37695521930000 -0.21416521870000 -1.35108401440000 4.73540777640000
0.24064765450000 -0.12856767580000 0.05376104930000 -0.01179660980000 0.02471863080000 -0.03869365790000 0.04744364680000 -0.00970316150000 0.03238786030000 -0.44327483420000 -0.54357762380000 -2.17686503350000 3.91755558410000 -6.16699622100000
0.38057197550000 -0.21675596700000 0.09297313140000 -0.02053242320000 0.04375336650000 -0.06360383130000 0.11068018050000 -0.11025985910000 0.33823320350000 0.37756441920000 3.11509173610000 5.44766482830000 -4.79027111400000 5.91684383900000
0.31279768620000 -0.13888723550000 0.05237100620000 -0.01121689970000 0.02276853510000 -0.04291611030000 0.00763532520000 0.11873453100000 -0.38879031860000 -1.76213667510000 -7.20786508380000 -6.10372038020000 4.06889816340000 -4.66066902520000
0.09596516300000 0.24702761530000 -0.14655286100000 0.03368791750000 -0.06909334840000 0.13320368750000 -0.09279836890000 -0.22842690180000 0.57440492950000 5.70915618130000 8.58231208060000 4.66112793760000 -2.84923802810000 3.21989666270000
0.01807231820000 0.56925351530000 -0.38131925030000 0.09097292830000 -0.19933192180000 0.26856905350000 -0.68871597610000 1.05110084080000 -3.12141768250000 -8.11396646860000 -6.80141656900000 -2.91027470120000 1.78022283690000 -2.02575531990000
0.00636352830000 0.29741434010000 -0.10744613040000 0.02018766850000 -0.06014534360000 0.21479762330000 0.36690028180000 -1.56820054230000 6.22605396080000 6.91416654940000 4.16234094190000 1.62257507130000 -1.01813364770000 1.17003713640000
0.00043027160000 0.03145833350000 0.54038418430000 -0.16413816130000 0.46161014470000 -1.39338543350000 1.99340359690000 0.73311687130000 -6.55636922590000 -4.26793374120000 -2.14354899800000 -0.82636977620000 0.52923214540000 -0.61252557230000
-0.00004997210000 0.01226950650000 0.53896044630000 -0.18436942010000 0.40932506430000 0.70907230100000 -3.51756909220000 0.56814835430000 4.62216970800000 2.13825407350000 0.96783670560000 0.37955638150000 -0.24555376240000 0.28529583950000
-0.00001408550000 0.00076108920000 0.11493034080000 0.06253981050000 -0.91495637540000 1.15836455420000 2.80565498180000 -1.30193023710000 -2.54765263000000 -0.92514801290000 -0.38735194360000 -0.15472262800000 0.10050437910000 -0.11696117440000
0.00000035990000 0.00041714610000 -0.00075556850000 0.53887149340000 -0.42448752410000 -1.59283457160000 -1.27958152490000 1.48965044630000 1.24668786210000 0.36714148210000 0.13872481060000 0.05619902590000 -0.03658156880000 0.04258975710000
-0.00000028810000 -0.00013555470000 0.00129570300000 0.54057130370000 0.81390444830000 0.71191491070000 0.09150328050000 -1.61176211330000 -0.66382052960000 -0.15528301260000 -0.04732623160000 -0.01943317650000 0.01268184500000 -0.01476004090000
0.00000009580000 0.00004260110000 -0.00039051320000 0.02828530940000 0.07219631690000 0.17369316010000 0.41718506660000 1.33348221030000 0.35792595440000 0.06783082250000 0.01441157030000 0.00603547740000 -0.00395784480000 0.00460144570000
* d-type functions
12 10
1490.55066580
435.35165763
161.86948077
69.53998996
32.28444235
15.49519255
7.46783760
3.53761526
1.61296000
0.68825654
0.26340603
0.10080941
0.00077206210000 -0.00027413430000 0.00033151800000 -0.00030559580000 0.00049131340000 -0.00041068470000 0.00016992980000 -0.00540889030000 0.01212333220000 -0.02598269090000
0.00674142670000 -0.00241682970000 0.00288277950000 -0.00250566940000 0.00429367880000 -0.00545377730000 -0.01470722340000 0.01331883120000 -0.11737492020000 -0.00558129010000
0.03556982660000 -0.01278368570000 0.01551473130000 -0.01427156570000 0.02324603060000 -0.02076204100000 -0.00281476920000 -0.22611211410000 0.47100757020000 -1.86403606350000
0.12073369800000 -0.04427194010000 0.05346160060000 -0.04695877570000 0.08221233010000 -0.10673897540000 -0.29054933490000 0.24663516820000 -2.73694885530000 2.54491879730000
0.27142955570000 -0.09941269950000 0.12271749560000 -0.11611742310000 0.19093867890000 -0.15528694180000 0.13081446560000 -2.24920734290000 4.19870344240000 -1.97339315860000
0.39532175100000 -0.13953706090000 0.15103070340000 -0.10838343230000 0.15128887530000 -0.24875209420000 -1.34483759330000 4.25779361750000 -3.59410784680000 1.21936959470000
0.31465868200000 -0.05763270550000 0.03326755350000 -0.02699118480000 -0.06568908560000 0.49817484920000 3.51135792870000 -3.98897616730000 2.22215884180000 -0.69412346940000
0.08907690160000 0.23357900690000 -0.43605576670000 0.56397637170000 -1.14511056150000 0.71978064470000 -4.10311103350000 2.46946265520000 -1.15775770410000 0.37236068430000
0.00591181670000 0.45178021830000 -0.46041060810000 0.04959206570000 1.32161338290000 -2.09301030840000 3.05253972400000 -1.18764845330000 0.54753872950000 -0.18241495260000
0.00015375050000 0.39194593770000 0.47287840970000 -0.87974335150000 -0.08657228790000 2.38234352950000 -1.71526507090000 0.49423023180000 -0.23596307990000 0.07966460040000
-0.00000192390000 0.13108636920000 0.52724318890000 0.35633465600000 -1.02356968320000 -1.88704552940000 0.82684315480000 -0.19060253630000 0.09394085610000 -0.03173141630000
-0.00000044600000 0.00161919830000 0.11308707330000 0.69132895220000 0.95850746790000 0.96338859560000 -0.30579247230000 0.06056964450000 -0.03051443770000 0.01027490620000
* f-type functions
6 6
5.11143850
2.85861791
1.62642479
0.85172351
0.39261359
0.15775919
0.13244242900000 -0.09170923730000 0.11309374980000 -0.15339318740000 0.00779705280000 -2.78264724120000
0.17234379310000 -0.46556593430000 0.85122299410000 -0.92116609970000 -1.91269520230000 5.16488206700000
0.40767794630000 -0.29235426700000 -0.51703016500000 1.36326280510000 4.01381519070000 -4.40491480800000
0.34453257510000 0.37456684830000 -0.74742124850000 -0.05878165620000 -3.81924448090000 2.19683482170000
0.15892938830000 0.58139309320000 0.48408660060000 -1.14084928020000 2.26975581440000 -0.74816270800000
0.00783457190000 0.12623516920000 0.53919758070000 1.12338849700000 -0.86713838770000 0.18016144460000
* g-type functions
5 5
3.40951138
1.88576204
1.01620921
0.48467455
0.20644780
0.22093201900000 -0.51581073420000 0.53111304980000 -0.83338022130000 1.82069891910000
0.41005964980000 -0.34780707910000 0.02294550580000 0.53718511190000 -3.49085306960000
0.39205074310000 0.36718889290000 -0.74923547440000 0.86403393510000 3.11763881080000
0.16206137900000 0.54867948730000 0.16203770270000 -1.56928825460000 -1.67548277740000
0.02094378470000 0.14608426900000 0.81546815950000 1.03658086490000 0.59006424200000
* h-type functions
3 3
2.77185852
1.32571343
0.52811768
0.46244178260000 -0.24684055960000 1.27792917730000
0.54014378740000 -0.39308430210000 -1.44954334320000
0.19484637990000 1.07983484540000 0.54504957810000
/Sn.ANO-R.Zobel.23s18p12d6f5g3h.14s14p11d6f5g3h.
J.P. Zobel, P.-O. Widmark, V. Veryazov. J. Chem. Theory Comput. 16 (2020) 278-294. doi:10.1021/acs.jctc.9b00873
TIN (23s,18p,12d,6f,5g,3h) -> [14s,14p,11d,6f,5g,3h]
50.0 5
* s-type functions
23 14
48062593.30800000
9053894.56860000
2069234.62420000
553234.02957000
167884.97829000
56414.20278800
20577.51870900
8019.65237280
3298.18272860
1417.45828780
631.64712105
289.95162196
136.28836451
65.19286120
31.51354433
15.26204131
7.32513869
3.43617659
1.54793043
0.65506983
0.25345695
0.08675394
0.02969438
0.00012182830000 -0.00006128660000 0.00002891110000 -0.00001154320000 0.00000269790000 -0.00000100220000 0.00000540940000 -0.00000715050000 0.00001038150000 -0.00001679430000 0.00004173420000 -0.00004768030000 0.00006069210000 -0.00501235780000
0.00036444660000 -0.00018340760000 0.00008654070000 -0.00003455460000 0.00000807620000 -0.00000300110000 0.00001618880000 -0.00002136170000 0.00003090870000 -0.00005234870000 0.00012111810000 -0.00016408610000 0.00027277400000 0.01617091750000
0.00093098690000 -0.00046889560000 0.00022132770000 -0.00008838750000 0.00002066030000 -0.00000767150000 0.00004143350000 -0.00005485490000 0.00007988740000 -0.00012385500000 0.00032826120000 -0.00031379580000 0.00065552390000 -0.06559492920000
0.00217726450000 -0.00109860270000 0.00051913670000 -0.00020737790000 0.00004847240000 -0.00001802550000 0.00009711970000 -0.00012774550000 0.00018366790000 -0.00033701810000 0.00068568480000 -0.00126043890000 0.00134407990000 0.24282433530000
0.00498500080000 -0.00252342240000 0.00119415580000 -0.00047733340000 0.00011161400000 -0.00004138930000 0.00022403920000 -0.00029840120000 0.00043962050000 -0.00057263460000 0.00195506900000 -0.00048187680000 0.00422506590000 -0.34283610920000
0.01132873740000 -0.00576813680000 0.00273924080000 -0.00109587720000 0.00025621240000 -0.00009547730000 0.00051265560000 -0.00066764090000 0.00094115420000 -0.00214305530000 0.00295166340000 -0.01108956430000 0.00009605970000 0.33945641600000
0.02580921300000 -0.01327002200000 0.00632973400000 -0.00253741910000 0.00059391430000 -0.00021959800000 0.00119472320000 -0.00161425450000 0.00244111910000 -0.00184998730000 0.01271534510000 0.01163021110000 0.06396158900000 -1.45174335950000
0.05794011680000 -0.03035868200000 0.01463813960000 -0.00588392410000 0.00137698830000 -0.00051503720000 0.00274834290000 -0.00351044550000 0.00475721980000 -0.01516174620000 0.00907259440000 -0.10086546550000 -0.13786615780000 0.38920572730000
0.12345211220000 -0.06712602310000 0.03292906360000 -0.01332939490000 0.00312930330000 -0.00115181190000 0.00631882520000 -0.00874187050000 0.01376148630000 0.00049195770000 0.08729433920000 0.17862527540000 0.62643712130000 3.26791527280000
0.22953749820000 -0.13507122190000 0.06895310490000 -0.02822549770000 0.00663520160000 -0.00249702760000 0.01319274160000 -0.01629166120000 0.02050083760000 -0.10298111190000 -0.00855589170000 -0.83847092300000 -1.25312526040000 -4.24520333900000
0.31610799140000 -0.21866988080000 0.11940914770000 -0.05012918920000 0.01189871500000 -0.00433267790000 0.02426276180000 -0.03545512240000 0.06070837360000 0.09417432380000 0.53727679680000 1.57539474740000 5.47156270190000 2.11665256850000
0.23462392250000 -0.20746431580000 0.12578861970000 -0.05437186260000 0.01294955110000 -0.00504866720000 0.02512214940000 -0.02451439300000 0.01175490200000 -0.54147975450000 -0.66254104310000 -5.14340421940000 -1.224228878340e1 -0.36921019900000
0.07894385620000 0.06946031420000 -0.07358069890000 0.03593204890000 -0.00876962610000 0.00385694410000 -0.01529729600000 -0.00242500530000 0.06564229910000 1.21729205660000 1.84523852760000 12.85842287780000 14.96555560300000 -0.12637365690000
0.08701580500000 0.46646141710000 -0.51866692720000 0.27764067740000 -0.07114160860000 0.02506931480000 -0.15291995960000 0.26673989570000 -0.56430740990000 -2.19051254440000 -8.08967628810000 -1.835670569330e1 -1.273824187340e1 0.11634272120000
0.06476203620000 0.33908498840000 -0.55511687170000 0.33158706550000 -0.08744702470000 0.03579523770000 -0.16471324420000 0.09464857370000 0.21221433290000 6.85474810620000 14.76621331860000 17.50155663410000 8.91651416520000 -0.04819365510000
0.01580983760000 0.13206795440000 0.35341879460000 -0.30190662030000 0.08728606020000 -0.03946995770000 0.16919869080000 -0.00353021690000 -0.65036807500000 -1.414888956590e1 -1.507510518080e1 -1.276390777450e1 -5.62561342570000 0.01223150760000
0.01279164020000 0.15457414600000 0.72139569530000 -1.01280019750000 0.34597600720000 -0.11711931040000 0.83584804020000 -1.82226477050000 4.92564122280000 17.03922290050000 10.54255165640000 7.78020687770000 3.29985026980000 -0.00025193950000
0.00195034830000 0.02646569620000 0.16130053490000 0.09967015920000 -0.07579508470000 0.00426947800000 -0.41031954090000 2.19966609360000 -9.97992514500000 -1.355492784940e1 -5.81034776140000 -4.18275786310000 -1.79213100890000 -0.00195947360000
0.00025743630000 0.00676147640000 0.11096182780000 0.98561231380000 -0.52854430950000 0.25472492720000 -1.72751736530000 1.08886341080000 10.77022183150000 8.03168634770000 2.77006501700000 2.03494152390000 0.88922585950000 0.00149223360000
-0.00006484390000 0.00063691850000 0.02812280040000 0.26991876410000 -0.33924351680000 0.05881828620000 1.49145882820000 -4.44450511220000 -7.75817586730000 -3.89133351110000 -1.20059078090000 -0.90252844880000 -0.39987950180000 -0.00077905750000
0.00003699410000 0.00029333570000 -0.00031139550000 -0.00899196050000 0.75060358910000 -0.18730707330000 1.27017821540000 4.72864006230000 4.21633726890000 1.64032031340000 0.48043501970000 0.36561718550000 0.16308186280000 0.00033675230000
-0.00001439350000 -0.00011404250000 0.00013981940000 0.00391432350000 0.59989499740000 -1.13731284400000 -2.28493590460000 -3.02878390050000 -1.86912504210000 -0.62505252070000 -0.17852703690000 -0.13652188950000 -0.06104994680000 -0.00012884910000
0.00000414000000 0.00003312700000 -0.00003249370000 -0.00105590540000 -0.00716277110000 1.66369635910000 1.00831701940000 1.05433068580000 0.56652697110000 0.17870294020000 0.05064141650000 0.03878409200000 0.01735664510000 0.00003688260000
* p-type functions
18 14
252829.40602000
42822.58806700
10174.54043400
3097.94024130
1125.44515480
461.71201263
205.26299842
95.96284289
46.17859142
22.52247980
10.99997757
5.31946056
2.51391408
1.14083428
0.48507664
0.18674672
0.06213999
0.02067709
0.00009903340000 -0.00004724720000 0.00002014220000 -0.00000482960000 0.00000878720000 -0.00001291220000 0.00001905920000 -0.00001429920000 0.00002124740000 -0.00007529840000 0.00006043490000 -0.00027646470000 0.00013923090000 -0.00252532700000
0.00046380480000 -0.00022180300000 0.00009469530000 -0.00002271390000 0.00004139830000 -0.00006062380000 0.00009268350000 -0.00007867200000 0.00014181060000 -0.00022135580000 0.00075499250000 -0.00074604130000 -0.00658933600000 0.00114495610000
0.00218649940000 -0.00104878910000 0.00044725250000 -0.00010723250000 0.00019483870000 -0.00028726640000 0.00041127570000 -0.00027200970000 0.00030483280000 -0.00220794190000 -0.00051550040000 -0.00698208880000 -0.00414117380000 -0.06637517070000
0.00921683160000 -0.00445503070000 0.00190806230000 -0.00045801190000 0.00083581120000 -0.00122016320000 0.00191974550000 -0.00177481010000 0.00354331180000 -0.00238436420000 0.02280573910000 -0.00794464480000 -0.17806075770000 -0.20769668050000
0.03387395850000 -0.01659460690000 0.00710375460000 -0.00170412640000 0.00309284840000 -0.00457578610000 0.00638154810000 -0.00370474560000 0.00255076890000 -0.04282581970000 -0.03321804910000 -0.13153068520000 -0.20702888110000 -1.80619595940000
0.10334821880000 -0.05221831730000 0.02260189340000 -0.00543674360000 0.00993234730000 -0.01446718990000 0.02341122590000 -0.02320519150000 0.04956401760000 -0.00815852550000 0.35660703970000 -0.29397378130000 -1.90379729310000 4.14491719950000
0.24116931400000 -0.12766696630000 0.05552967050000 -0.01335773680000 0.02420540650000 -0.03601329730000 0.04824376230000 -0.02166353970000 -0.00740348090000 -0.43779038690000 -0.52221282780000 -1.97607568250000 4.80276421950000 -5.15470616170000
0.38157012450000 -0.21520998500000 0.09592619130000 -0.02321367030000 0.04269971950000 -0.06185998950000 0.11033642770000 -0.13359007130000 0.33456614000000 0.32318628100000 3.10797081590000 5.18513953380000 -5.80902741920000 4.81871808440000
0.31418139040000 -0.13799088830000 0.05424776860000 -0.01272170580000 0.02244565510000 -0.03611574710000 0.00992420680000 0.11235758620000 -0.48657512740000 -1.66045324610000 -7.20176335700000 -5.83875528190000 4.96517188290000 -3.75720163060000
0.09493535830000 0.25165478880000 -0.15383158970000 0.03911794040000 -0.06961897170000 0.11599794620000 -0.10407337990000 -0.18087343300000 1.00900293950000 5.54260737190000 8.58172274100000 4.43737913630000 -3.49368349820000 2.58767362310000
0.01465414510000 0.57332189680000 -0.39723921610000 0.10459392750000 -0.19827485430000 0.28173217770000 -0.68793755940000 1.22282873210000 -3.66906550140000 -7.73982712180000 -6.84514639650000 -2.75861287080000 2.19057470890000 -1.63103461750000
0.00454080030000 0.28966489430000 -0.09281571760000 0.01562371460000 -0.04880647770000 0.14530174060000 0.43022974560000 -1.93107947490000 6.72542627540000 6.35547106730000 4.27030607860000 1.54743312280000 -1.26570670160000 0.95262224690000
0.00014804570000 0.03140796170000 0.56622380210000 -0.18933372970000 0.48578985040000 -1.24750333500000 1.87549523290000 0.83895836140000 -7.19996643540000 -3.75930199290000 -2.28375664070000 -0.80793833030000 0.67538057070000 -0.51253359350000
-0.00012603240000 0.01416506750000 0.52154991330000 -0.20119858330000 0.33518282910000 0.54015512280000 -3.37575705260000 0.95250328740000 5.43457342980000 1.81811719180000 1.09332567970000 0.38932871620000 -0.32878207200000 0.25063719030000
-0.00002502440000 0.00062835460000 0.09806268980000 0.06722536900000 -0.88539133430000 1.33699004130000 2.55793915020000 -1.98916286270000 -3.30518348010000 -0.76184413890000 -0.47300558440000 -0.17026637130000 0.14431301930000 -0.11022225400000
0.00000007240000 0.00054308390000 -0.00012038520000 0.62432501450000 -0.42762042780000 -1.67285519930000 -0.87834591600000 2.15329472620000 1.78554077330000 0.28415906040000 0.18539037170000 0.06731170010000 -0.05712785640000 0.04365526580000
-0.00000018830000 -0.00019346740000 0.00107262110000 0.45713695210000 0.86513116810000 0.60936603740000 -0.35371990990000 -1.98794073240000 -0.97256671850000 -0.09873030280000 -0.06843602500000 -0.02502497950000 0.02125781110000 -0.01624109180000
0.00000006820000 0.00006122110000 -0.00028780740000 0.00211912370000 0.12125054150000 0.35168493780000 0.67437730690000 1.32854374030000 0.46495336760000 0.02801784900000 0.02117348680000 0.00780458880000 -0.00663707640000 0.00506712100000
* d-type functions
12 11
1183.64954570
344.11098754
128.77250535
55.22083361
25.27749966
11.87629291
5.60729950
2.61629816
1.17548753
0.48435401
0.16807253
0.05832175
0.00137439350000 -0.00051001750000 0.00044073320000 -0.00061428330000 0.00069601240000 -0.00062135280000 0.00082240900000 -0.00508547490000 0.00437424850000 -0.04075335260000 0.10973114420000
0.01170137260000 -0.00439238760000 0.00386399580000 -0.00537595750000 0.00718657020000 -0.00830879760000 0.01317410710000 0.00226548180000 -0.09365902270000 0.09313984600000 -1.68120117070000
0.05731264900000 -0.02159887140000 0.01879089730000 -0.02632155500000 0.03041942850000 -0.02805871720000 0.03851241060000 -0.21259144260000 0.14542109950000 -1.98268209500000 2.07090313580000
0.17750759410000 -0.06849147990000 0.06123193500000 -0.08641449040000 0.12021818200000 -0.14376962940000 0.23434585240000 0.10269478700000 -2.16227991110000 2.91850620830000 -1.77434670440000
0.34935701770000 -0.13214645450000 0.11333315300000 -0.15718227600000 0.16127177640000 -0.11398761170000 0.10308437550000 -1.74287242330000 3.71928425420000 -2.45237149010000 1.29825509280000
0.40591614750000 -0.13884027090000 0.10816969130000 -0.12047445710000 0.16073074500000 -0.23756362280000 0.40835759090000 3.83356670450000 -3.31975806520000 1.59052313400000 -0.85631386900000
0.20596380060000 0.07172179790000 -0.11932331790000 0.21507557870000 -0.58614531640000 1.07405486370000 -2.26367094660000 -4.03741787710000 2.08039540520000 -0.91292980500000 0.51585984290000
0.02793048340000 0.38317993430000 -0.42858549580000 0.70544920460000 -0.40797180640000 -0.74852505960000 3.40101766860000 2.79374366880000 -1.06758659130000 0.48038620150000 -0.28005798310000
0.00174965720000 0.46421017780000 -0.13424906250000 -0.54676824260000 1.44307953640000 -0.44013379040000 -2.97417235530000 -1.45028905770000 0.47945128920000 -0.22476612680000 0.13259225270000
-0.00036997720000 0.24853476110000 0.52125860920000 -0.61026756660000 -1.08010663540000 1.22746231570000 1.86524699590000 0.60802132380000 -0.18757399430000 0.09006802030000 -0.05326089770000
0.00014426930000 0.02665147840000 0.52074756650000 0.73812697020000 -0.05974332110000 -1.44494825780000 -1.02365184580000 -0.22948019450000 0.06695343680000 -0.03254437610000 0.01923528590000
-0.00004960360000 -0.00101445510000 0.07871876300000 0.23921010310000 0.69334903740000 1.09337866720000 0.48238487930000 0.07707343220000 -0.02150403590000 0.01050843330000 -0.00620745330000
* f-type functions
6 6
5.59405763
3.13422719
1.78611703
0.93649370
0.43211983
0.17432971
0.13808894170000 -0.07673002700000 0.08155424460000 -0.15636140670000 0.20195971080000 -2.79323478080000
0.18120495760000 -0.39676464000000 0.74416128340000 -1.02954750970000 1.56778268870000 5.33040444530000
0.42128004160000 -0.27078213380000 -0.21319958790000 1.37929129770000 -3.73416233970000 -4.72827969210000
0.32881949670000 0.27069085190000 -0.83604701440000 0.12819507680000 3.65493190790000 2.50000529570000
0.14175426320000 0.60001495660000 0.23409606510000 -1.26772313850000 -2.19198718500000 -0.92671698120000
0.00718252000000 0.23985513290000 0.68434228830000 1.03470763760000 0.84718889770000 0.24704557020000
* g-type functions
5 5
3.76624474
2.16617910
1.11394091
0.54518653
0.23261648
0.19972995040000 -0.39824276220000 0.60032239940000 -1.01913124680000 1.87796775430000
0.39280196900000 -0.35651589740000 0.07103276880000 0.79383056440000 -3.41306080190000
0.40599968170000 0.15898274540000 -0.79107199750000 0.71686102530000 3.05684129560000
0.18711309280000 0.60615600590000 0.04441542720000 -1.47578963430000 -1.82013576090000
0.04176308280000 0.25986522790000 0.79465117810000 0.99461366870000 0.66667138390000
* h-type functions
3 3
2.82504850
1.32273554
0.50241113
0.55223700350000 -0.40792075320000 1.15741690320000
0.48282626910000 -0.10094237330000 -1.44222025370000
0.16470676920000 0.97836322160000 0.65265281580000
/Sb.ANO-R.Zobel.23s18p12d6f5g3h.15s14p10d6f5g3h.
J.P. Zobel, P.-O. Widmark, V. Veryazov. J. Chem. Theory Comput. 16 (2020) 278-294. doi:10.1021/acs.jctc.9b00873
ANTIMONY (23s,18p,12d,6f,5g,3h) -> [15s,14p,10d,6f,5g,3h]
51.0 5
* s-type functions
23 15
49749918.11700000
9525805.43350000
2201845.20610000
593199.27746000
180916.10825000
60987.08621800
22289.47943300
8697.28467270
3579.48617010
1539.08159720
686.09339856
315.06268669
148.16854453
70.93551801
34.33846783
16.66991060
8.03193498
3.79071784
1.72347637
0.73932676
0.29166456
0.10257158
0.03607202
0.00012599970000 -0.00006355220000 0.00002958940000 -0.00001145810000 0.00000299880000 -0.00000114180000 0.00000566850000 -0.00000777000000 0.00001153190000 -0.00001874530000 0.00004404880000 -0.00005130000000 0.00005726510000 -0.00247537450000 0.00615076310000
0.00037511860000 -0.00018927640000 0.00008814670000 -0.00003413520000 0.00000893390000 -0.00000340310000 0.00001688420000 -0.00002309820000 0.00003417540000 -0.00005802800000 0.00012785690000 -0.00018579090000 0.00029220640000 0.00150559310000 -0.01747715190000
0.00094894850000 -0.00047920720000 0.00022325180000 -0.00008646990000 0.00002263250000 -0.00000861390000 0.00004278840000 -0.00005874970000 0.00008743270000 -0.00013664670000 0.00033993870000 -0.00032323100000 0.00056093320000 -0.01515969820000 0.06704782740000
0.00219834980000 -0.00111217340000 0.00051871120000 -0.00020095540000 0.00005259820000 -0.00002005190000 0.00009937450000 -0.00013548190000 0.00019933350000 -0.00036458790000 0.00071812890000 -0.00138529430000 0.00093731520000 0.04197214690000 -0.19533695390000
0.00498502390000 -0.00253020610000 0.00118184780000 -0.00045817360000 0.00011995450000 -0.00004558860000 0.00022693060000 -0.00031361170000 0.00047155470000 -0.00062818770000 0.00195414580000 -0.00053564190000 0.00575643030000 -0.12419349560000 0.44506237130000
0.01121794440000 -0.00572689430000 0.00268438320000 -0.00104138660000 0.00027264430000 -0.00010418020000 0.00051462160000 -0.00069408550000 0.00100337880000 -0.00224866480000 0.00316615900000 -0.01141162290000 -0.00408122340000 0.02073723420000 -0.69078260730000
0.02532491600000 -0.01305582740000 0.00614736190000 -0.00238982150000 0.00062617630000 -0.00023720170000 0.00118649430000 -0.00166552920000 0.00256440990000 -0.00209638420000 0.01213968410000 0.01068640500000 0.06409551600000 0.13044474080000 1.59676640080000
0.05643980540000 -0.02963912620000 0.01410472950000 -0.00549534830000 0.00144005060000 -0.00055257300000 0.00271336940000 -0.00358248330000 0.00499707120000 -0.01547991770000 0.01101851700000 -0.09931758160000 -0.13499410730000 0.34978496420000 -5.24271836520000
0.11983884680000 -0.06525305770000 0.03158705270000 -0.01239242180000 0.00325496190000 -0.00122663730000 0.00618534070000 -0.00891111060000 0.01423913540000 -0.00082203380000 0.08041080470000 0.16743943050000 0.60488266400000 -4.47613520150000 8.44448475420000
0.22366228800000 -0.13142119810000 0.06613553880000 -0.02619740740000 0.00689182330000 -0.00266298050000 0.01295277370000 -0.01647900720000 0.02149871000000 -0.10347075600000 0.00857932740000 -0.81264345960000 -1.27727867330000 8.32583696590000 -1.061629090010e1
0.31371964730000 -0.21552174230000 0.11587936200000 -0.04703611110000 0.01246579350000 -0.00464167190000 0.02386668840000 -0.03646406490000 0.06290286350000 0.08594365840000 0.48457429680000 1.43556745020000 5.61280528510000 -8.35722788690000 11.89534165800000
0.24315574050000 -0.21319305500000 0.12720785080000 -0.05299374130000 0.01410997780000 -0.00565975080000 0.02610686190000 -0.02613341800000 0.01636647130000 -0.53933544100000 -0.51829250600000 -4.86122278440000 -1.253175084730e1 6.63536418680000 -1.095587351810e1
0.08347370320000 0.04866992410000 -0.05613143050000 0.02638143990000 -0.00719778430000 0.00346292400000 -0.01197861250000 -0.00882927730000 0.07227525350000 1.18055169230000 1.67278814240000 12.57368266950000 15.49478250450000 -4.92157855170000 8.58886146560000
0.08383260180000 0.45889342130000 -0.49895198330000 0.25642903450000 -0.07252856170000 0.02597168770000 -0.14555081220000 0.27068483540000 -0.57665766410000 -2.08124536370000 -8.02280770300000 -1.824705841890e1 -1.349910384910e1 3.52356540530000 -6.18282909240000
0.06755106910000 0.36382233610000 -0.58485684770000 0.33457167320000 -0.09753374310000 0.04117761660000 -0.17816564120000 0.11003037370000 0.16672912640000 6.81235593440000 14.90042614340000 17.63935996550000 9.72515781610000 -2.42737441420000 4.24027203030000
0.01644068660000 0.12977913270000 0.30797938040000 -0.24985718430000 0.07914791970000 -0.03869604520000 0.14996357200000 0.03889991030000 -0.64658828590000 -1.432330303150e1 -1.546553227790e1 -1.305849956480e1 -6.29425735160000 1.58977751040000 -2.76542139260000
0.01288693740000 0.15063158870000 0.76822974340000 -1.01146159990000 0.36993221370000 -0.12689370720000 0.82742481050000 -1.92961908440000 5.16394209850000 17.45140124640000 11.07447498560000 8.09079028780000 3.76055271490000 -0.97212736410000 1.68591192200000
0.00224035820000 0.02897110150000 0.17959970580000 0.02610567370000 -0.04251904250000 -0.01396179140000 -0.27803309490000 2.17035346520000 -1.045891065020e1 -1.410669133000e1 -6.27449155560000 -4.42461179870000 -2.07194757490000 0.54546982790000 -0.94412460930000
0.00022940790000 0.00402865810000 0.08643559990000 1.00937980170000 -0.57959257600000 0.29350834170000 -1.88195940970000 1.38025910920000 11.31705498910000 8.54225826260000 3.07036010150000 2.19011690630000 1.04304027350000 -0.27755692780000 0.47986315050000
-0.00007499110000 0.00013009650000 0.02410596540000 0.29746597150000 -0.36947013850000 0.06009276130000 1.49055020060000 -4.86157674190000 -8.21306809200000 -4.24036477330000 -1.35965504170000 -0.98801529410000 -0.47641330040000 0.12745669090000 -0.22022919400000
0.00003840000000 0.00026308750000 -0.00044743550000 -0.00974100060000 0.78560467420000 -0.20471347500000 1.42518036290000 5.07142094140000 4.50873466470000 1.82694533960000 0.55294770120000 0.40629403370000 0.19713679990000 -0.05286855170000 0.09132640690000
-0.00001517290000 -0.00010546700000 0.00019616490000 0.00460328080000 0.58866112930000 -1.17059362960000 -2.47421296370000 -3.21563207050000 -2.00919944490000 -0.70465016740000 -0.20694801900000 -0.15281082200000 -0.07432378440000 0.01995218190000 -0.03446263080000
0.00000432520000 0.00003021090000 -0.00005073120000 -0.00123537550000 -0.00510954060000 1.69509707820000 1.09576812160000 1.11100496770000 0.60503040310000 0.20041291740000 0.05825407430000 0.04309047850000 0.02097355730000 -0.00563230350000 0.00972822770000
* p-type functions
18 14
276444.06829000
46758.25296100
11055.07545100
3346.70781280
1209.73468500
494.51935133
219.39186029
102.47572706
49.30347308
24.05103441
11.75335834
5.69298949
2.70165985
1.23752933
0.53601384
0.21333851
0.07504224
0.02639626
0.00009924080000 -0.00004657690000 0.00002072620000 -0.00000537580000 0.00000884710000 -0.00001345140000 0.00001979870000 -0.00001517500000 0.00002636800000 -0.00007574540000 0.00007672920000 -0.00019672220000 0.00289126390000 -0.01950164170000
0.00045876170000 -0.00021583210000 0.00009617160000 -0.00002495880000 0.00004113720000 -0.00006240970000 0.00009502960000 -0.00008102180000 0.00015296860000 -0.00023475380000 0.00073357920000 -0.00114261460000 -0.02184255530000 0.07303602940000
0.00214209860000 -0.00101090120000 0.00044996560000 -0.00011668300000 0.00019179630000 -0.00029229820000 0.00041750630000 -0.00028693190000 0.00044951030000 -0.00212433050000 0.00007330590000 -0.00454566750000 0.05635094210000 -0.34435151830000
0.00898383500000 -0.00427215990000 0.00190926880000 -0.00049597270000 0.00081841550000 -0.00123892840000 0.00194162750000 -0.00178972710000 0.00355832180000 -0.00278500960000 0.02126484840000 -0.01831071090000 -0.32204458650000 0.49969197250000
0.03300907650000 -0.01590919560000 0.00710586890000 -0.00184350640000 0.00302721970000 -0.00462564050000 0.00643416620000 -0.00394553880000 0.00539512430000 -0.04069356770000 -0.02026877010000 -0.07993714040000 0.13075195030000 -2.72865841570000
0.10108301260000 -0.05023722260000 0.02267079500000 -0.00590343580000 0.00975231600000 -0.01474197060000 0.02377414570000 -0.02339580000000 0.04831525050000 -0.01463879220000 0.34915992330000 -0.40664010470000 -2.37356329330000 4.81738831450000
0.23766404470000 -0.12377436700000 0.05610204820000 -0.01459521660000 0.02393681760000 -0.03673834460000 0.04911247050000 -0.02433403020000 0.02281583120000 -0.41957294420000 -0.44486989580000 -1.81525759130000 5.31706180110000 -5.48610783010000
0.38103902480000 -0.21156193870000 0.09814394450000 -0.02573622710000 0.04279206350000 -0.06457612000000 0.11461651650000 -0.13504527250000 0.30504655810000 0.25261743130000 2.93000237490000 5.10246625960000 -6.30976876110000 4.98845389040000
0.32068774030000 -0.14211594860000 0.05918023420000 -0.01497467580000 0.02398794990000 -0.03869631900000 0.01225650800000 0.10322172400000 -0.35111830100000 -1.50737756110000 -7.04892724680000 -5.94409132110000 5.38846797260000 -3.89059295790000
0.09782794270000 0.24222415290000 -0.15262355270000 0.04210210490000 -0.06816260790000 0.11568205500000 -0.10552842960000 -0.15175513870000 0.61404182680000 5.41405635840000 8.60963708230000 4.66213168130000 -3.80884905660000 2.70837668230000
0.01056073170000 0.57372570340000 -0.40808038470000 0.11742451920000 -0.20146201070000 0.30122002020000 -0.72124659910000 1.21755067760000 -3.15073507330000 -7.89460955220000 -7.04374078100000 -2.98035419610000 2.40807135940000 -1.73087276870000
0.00235336000000 0.29603330460000 -0.10249142310000 0.01814811110000 -0.04878399850000 0.14214893340000 0.48384022240000 -2.01258978670000 6.39142133210000 6.86157748990000 4.51844405050000 1.71147346210000 -1.41044411870000 1.02797275250000
-0.00015948750000 0.03467436940000 0.57302164480000 -0.20984835610000 0.49402304480000 -1.29783952000000 1.90001918300000 0.98382711660000 -7.21251731830000 -4.37532947100000 -2.49502473470000 -0.91496159310000 0.76886043440000 -0.56572894390000
-0.00024461370000 0.01619468000000 0.52247464930000 -0.22919693560000 0.32201819300000 0.58074567300000 -3.56111233490000 0.88817399510000 5.70974269010000 2.31079861220000 1.24132948310000 0.45435368170000 -0.38598576360000 0.28541754090000
-0.00003958010000 0.00068900460000 0.09315685130000 0.09550638610000 -0.88291773410000 1.39739402630000 2.80956857680000 -2.10974947780000 -3.65401975770000 -1.07002326650000 -0.56229782210000 -0.20653869520000 0.17628093000000 -0.13061809740000
-0.00000126270000 0.00064211910000 0.00036524500000 0.65643301320000 -0.43724928750000 -1.77614274900000 -1.02105990640000 2.41153399470000 2.07420645780000 0.44804157010000 0.23200288550000 0.08528870440000 -0.07294009430000 0.05407754790000
0.00000034250000 -0.00023835460000 0.00082687600000 0.40754178390000 0.90849743750000 0.63882117160000 -0.34364317320000 -2.24219933040000 -1.15511476220000 -0.17871008280000 -0.08961648370000 -0.03277155660000 0.02806122860000 -0.02080212830000
-0.00000008430000 0.00007496680000 -0.00022040770000 -0.00090474140000 0.13362980650000 0.36080004270000 0.67612210960000 1.42676699050000 0.53267609550000 0.05922537410000 0.02813327950000 0.01016569570000 -0.00871562580000 0.00645769190000
* d-type functions
12 10
1834.55078810
530.38141210
197.06987464
84.80188710
39.44814040
19.00594327
9.24155942
4.45360026
2.08589240
0.92129852
0.36507284
0.14466340
0.00064464240000 -0.00024838640000 0.00017011230000 -0.00032694410000 0.00041352610000 -0.00048817500000 0.00018579160000 -0.00582841660000 0.01335046340000 -0.02994660860000
0.00562532600000 -0.00218775830000 0.00149610170000 -0.00277097730000 0.00321425410000 -0.00515411810000 -0.01475699680000 0.01920117320000 -0.12787764500000 0.03616003420000
0.03016893430000 -0.01176318920000 0.00807914120000 -0.01554361670000 0.01963745060000 -0.02422679850000 -0.00186907790000 -0.24777615960000 0.51195648360000 -1.92121734560000
0.10574253220000 -0.04203529080000 0.02897503260000 -0.05423764710000 0.06404448170000 -0.10491999290000 -0.30222687910000 0.36091475920000 -2.81511053450000 2.57955208030000
0.25065132380000 -0.10002083750000 0.06953877190000 -0.13698747130000 0.18102257040000 -0.21923050100000 0.10044672580000 -2.46823650570000 4.25022617470000 -1.99645289670000
0.38765920660000 -0.15016679620000 0.09884288950000 -0.16258438660000 0.13434373600000 -0.22723008740000 -1.37823004950000 4.58393537980000 -3.63352201540000 1.24422665830000
0.33629678930000 -0.08312879410000 0.04334841000000 -0.05802198320000 0.05089429340000 0.32366489750000 3.71032275850000 -4.42742088130000 2.27838446730000 -0.72482606600000
0.11073819700000 0.21032779330000 -0.20320592410000 0.54940482480000 -1.07582109000000 1.27896652690000 -4.42664958100000 2.89106831740000 -1.21750914790000 0.40345515740000
0.00918383740000 0.46224126560000 -0.35451970200000 0.43416351630000 0.78823679090000 -2.73364975230000 3.33255333410000 -1.47052516960000 0.59010420640000 -0.20540406940000
0.00021064160000 0.40224857320000 0.04604980810000 -0.97589786540000 0.67296001290000 2.67592341700000 -1.84683459710000 0.63521925230000 -0.25722115590000 0.09187691520000
-0.00003192130000 0.11777835610000 0.56939225780000 -0.13096141950000 -1.55835346870000 -1.80669655000000 0.85061698660000 -0.24883645280000 0.10199380960000 -0.03676691370000
0.00000270910000 0.00143543930000 0.45755258560000 0.75350831610000 1.07952028980000 0.79885122730000 -0.29981579770000 0.07919882630000 -0.03269367750000 0.01180163150000
* f-type functions
6 6
6.23502638
3.51100879
2.02854687
1.08255646
0.50718381
0.20741942
0.13621497350000 -0.05820446680000 0.04887845880000 -0.07846991760000 0.17587772210000 -2.88722559000000
0.17747266970000 -0.30741729130000 0.71806175860000 -1.04358673760000 1.90335779270000 5.60521493600000
0.41651476130000 -0.25817076270000 0.00913183100000 1.04086811320000 -4.23574391970000 -5.06971400100000
0.32614289600000 0.09783139190000 -0.90530441090000 0.66697821370000 3.88305128530000 2.71294046980000
0.14760916840000 0.61406688950000 0.00244418050000 -1.59373643700000 -2.14174257990000 -1.01030262950000
0.01442792730000 0.37555333560000 0.73991743560000 1.06814494030000 0.76430888760000 0.27203421520000
* g-type functions
5 5
4.31499600
2.42671187
1.28019076
0.61063216
0.26495291
0.17881973150000 -0.28130452580000 0.45837820070000 -0.82707282530000 1.94670698450000
0.37609871220000 -0.40146519320000 0.36582042110000 0.30033794890000 -3.46057613060000
0.39940072520000 0.01984912310000 -0.83622533760000 1.15658332590000 2.92404613840000
0.23273193860000 0.61095703050000 -0.17246579210000 -1.64655408120000 -1.59549348140000
0.05956797230000 0.35749194040000 0.83736639850000 1.00343114460000 0.58552595540000
* h-type functions
3 3
2.95729840
1.37312998
0.52241201
0.59348633960000 -0.46426282560000 1.10326214240000
0.44181604120000 -0.01110278450000 -1.44873012410000
0.16989488370000 0.94135488430000 0.70374196020000
/Te.ANO-R.Zobel.23s18p12d6f5g3h.15s14p10d6f5g3h.
J.P. Zobel, P.-O. Widmark, V. Veryazov. J. Chem. Theory Comput. 16 (2020) 278-294. doi:10.1021/acs.jctc.9b00873
TELLURIUM (23s,18p,12d,6f,5g,3h) -> [15s,14p,10d,6f,5g,3h]
52.0 5
* s-type functions
23 15
49657577.53900000
9684801.88440000
2270031.18950000
617981.34585000
189931.38909000
64386.56243000
23627.18213600
9245.82062160
3813.02149450
1641.90644600
732.74940694
336.81252361
158.55702626
76.00542468
36.85848658
17.94020522
8.67733338
4.11823054
1.88728959
0.81858989
0.32784295
0.11765209
0.04222148
0.00013305170000 -0.00006752000000 0.00003112060000 -0.00001087750000 0.00000336880000 -0.00000129630000 0.00000603050000 -0.00000866440000 0.00001276020000 -0.00002107150000 0.00004770750000 -0.00005822190000 0.00001934160000 -0.00514174090000 0.00309482210000
0.00039386570000 -0.00019995460000 0.00009218400000 -0.00003222200000 0.00000997930000 -0.00000384200000 0.00001786190000 -0.00002560950000 0.00003761480000 -0.00006482940000 0.00013442370000 -0.00020422580000 0.00009615860000 0.02347860430000 -0.02089660960000
0.00098556390000 -0.00050075990000 0.00023095400000 -0.00008074220000 0.00002500690000 -0.00000961860000 0.00004477090000 -0.00006443880000 0.00009512080000 -0.00015124030000 0.00036665590000 -0.00037605940000 0.00125900220000 -0.05497508270000 0.03001480090000
0.00225964370000 -0.00115024490000 0.00053110810000 -0.00018571760000 0.00005752140000 -0.00002216480000 0.00010293480000 -0.00014705400000 0.00021497070000 -0.00039797340000 0.00071390480000 -0.00148628160000 -0.00090941670000 0.14919669510000 -0.02961560450000
0.00507255080000 -0.00259069900000 0.00119811740000 -0.00041925720000 0.00012986530000 -0.00004987250000 0.00023261370000 -0.00033708090000 0.00050196350000 -0.00068506960000 0.00216592600000 -0.00072133510000 0.00925431210000 -0.37034396930000 -0.09233876780000
0.01130027010000 -0.00580517480000 0.00269436370000 -0.00094341380000 0.00029225890000 -0.00011290300000 0.00052266030000 -0.00073830850000 0.00106329920000 -0.00239411320000 0.00267519330000 -0.01173342220000 -0.01417041180000 0.52565567250000 0.97060769390000
0.02527045550000 -0.01311074190000 0.00611381160000 -0.00214541770000 0.00066479570000 -0.00025438370000 0.00119216030000 -0.00175620470000 0.00266935210000 -0.00229025440000 0.01426296070000 0.00895052330000 0.09529673390000 -0.65091610250000 -2.10773534110000
0.05586241660000 -0.02951816630000 0.01391382640000 -0.00489202250000 0.00151644890000 -0.00058856200000 0.00270875070000 -0.00374139390000 0.00522608070000 -0.01611677350000 0.00436104240000 -0.09628485450000 -0.21513714180000 -1.15933787300000 0.33809873400000
0.11796700070000 -0.06460530180000 0.03098517740000 -0.01097153770000 0.00340399530000 -0.00129500420000 0.00611747520000 -0.00926361060000 0.01454721020000 -0.00146741730000 0.10013988130000 0.14952401540000 0.73446478910000 5.83435200150000 0.08425530770000
0.22004568170000 -0.12982356160000 0.06473286550000 -0.02312532060000 0.00718572690000 -0.00281063740000 0.01281540930000 -0.01702132300000 0.02246147930000 -0.10620168480000 -0.04855495720000 -0.77485440600000 -1.60493431040000 -1.164179379280e1 1.33528774950000
0.31143780560000 -0.21405815990000 0.11407427230000 -0.04176295160000 0.01302028510000 -0.00488799650000 0.02353483930000 -0.03790494830000 0.06367568670000 0.08356261750000 0.66158473090000 1.25181969660000 6.17468498180000 14.81836137730000 -1.77468348320000
0.24770031270000 -0.21661581130000 0.12818631910000 -0.04810271630000 0.01506967020000 -0.00613477020000 0.02661400480000 -0.02773858720000 0.02108385710000 -0.54982482790000 -0.94811524210000 -4.50810905700000 -1.326296478980e1 -1.384058405380e1 1.50595929820000
0.08672517650000 0.03643643440000 -0.04677307140000 0.01987222540000 -0.00636837320000 0.00329473620000 -0.01027318900000 -0.01280585300000 0.07176391510000 1.18022907310000 2.43534142860000 12.17292902660000 16.37199454890000 10.77706530400000 -1.17068112480000
0.08176768770000 0.45443463320000 -0.49179344250000 0.22892433660000 -0.07430171000000 0.02666565200000 -0.14002716560000 0.27916190990000 -0.57377084520000 -2.01577830070000 -9.02152813790000 -1.781589872140e1 -1.432139671750e1 -7.70674265330000 0.85529105190000
0.06905866460000 0.38153123220000 -0.61108868050000 0.31756402550000 -0.10595542710000 0.04553273970000 -0.18648861590000 0.12331870900000 0.10962916950000 6.77339020120000 15.99082764970000 17.20675491430000 10.29246549330000 5.27808169280000 -0.58907127820000
0.01721904530000 0.12858875460000 0.28416481080000 -0.21030162340000 0.07500362910000 -0.03892365860000 0.13832350280000 0.06536668350000 -0.59004359730000 -1.447788413800e1 -1.656526241550e1 -1.273531489110e1 -6.62577275610000 -3.45762704440000 0.38520864250000
0.01345113650000 0.14410747800000 0.82858961070000 -0.98689919960000 0.39055738230000 -0.13383036520000 0.81432415380000 -2.06200807680000 5.26673803430000 17.86208848510000 12.04827055740000 7.92694688200000 3.95954350180000 2.12644219070000 -0.23656538310000
0.00256698000000 0.02992667950000 0.19566992640000 -0.01469821340000 -0.01745320010000 -0.02940638700000 -0.17048166830000 2.28617461220000 -1.078795159250e1 -1.466364393320e1 -6.98162499360000 -4.37569964970000 -2.19890594190000 -1.20442101690000 0.13397234190000
0.00021718720000 0.00197310960000 0.03792976150000 1.02926613760000 -0.62925660240000 0.32890984530000 -2.02309616330000 1.44380087170000 11.78845109390000 9.04619329740000 3.49365250080000 2.19192679330000 1.12076635190000 0.61992394970000 -0.06898060210000
-0.00008227690000 -0.00035373920000 0.01067804300000 0.31368626100000 -0.38609752500000 0.05404552680000 1.53523038330000 -5.08090746600000 -8.67032462500000 -4.57562360890000 -1.57584214890000 -1.00097272360000 -0.51867537580000 -0.28808854050000 0.03206695670000
0.00003948220000 0.00024650990000 -0.00019463300000 -0.01016504110000 0.82386330720000 -0.21936833130000 1.50940365610000 5.30119730360000 4.83443632160000 2.00164071360000 0.64935621930000 0.41583384670000 0.21696654690000 0.12072228160000 -0.01343981720000
-0.00001582410000 -0.00010237700000 0.00005341580000 0.00507792370000 0.56964698870000 -1.18778912620000 -2.61269880760000 -3.35563920220000 -2.17843960600000 -0.77741363360000 -0.24435228540000 -0.15703792180000 -0.08216193140000 -0.04574968340000 0.00509344570000
0.00000447370000 0.00002892510000 -0.00001523450000 -0.00135043990000 -0.00347680030000 1.71688315750000 1.16365623840000 1.15448789540000 0.65517472390000 0.21994436680000 0.06837321280000 0.04400309660000 0.02304196470000 0.01283360640000 -0.00142879110000
* p-type functions
18 14
301490.19184000
50569.30303800
11893.65160100
3587.69828220
1293.16095180
527.26471697
233.35779022
108.77273567
52.25787168
25.48147057
12.46399628
6.05222753
2.88365840
1.32771031
0.57823351
0.23117271
0.08143555
0.02868742
0.00009898930000 -0.00004822710000 0.00002091500000 -0.00000586500000 0.00000826510000 -0.00001408930000 0.00002076160000 -0.00001557520000 0.00002588120000 -0.00007444130000 0.00007427880000 -0.00027055600000 0.00239957140000 -0.01048278910000
0.00045528480000 -0.00022233990000 0.00009654920000 -0.00002709340000 0.00003827070000 -0.00006505050000 0.00009896380000 -0.00008287110000 0.00015020930000 -0.00021539830000 0.00079536310000 -0.00085117480000 -0.01707923170000 0.04046382450000
0.00210273260000 -0.00103005570000 0.00044694610000 -0.00012528650000 0.00017620520000 -0.00030128920000 0.00043129900000 -0.00028806860000 0.00042736980000 -0.00212495930000 -0.00020571650000 -0.00747392470000 0.03700166090000 -0.18971173090000
0.00874605900000 -0.00431627140000 0.00188034020000 -0.00052822520000 0.00074765800000 -0.00126712590000 0.00198376690000 -0.00180789010000 0.00346582160000 -0.00205853320000 0.02314200930000 -0.01109715160000 -0.28610626880000 0.35735541340000
0.03203395580000 -0.01601698090000 0.00697803430000 -0.00195661460000 0.00274695610000 -0.00471282360000 0.00657092500000 -0.00386848660000 0.00489394390000 -0.04119477250000 -0.02778037310000 -0.13912529690000 0.21003815340000 -2.64121738220000
0.09835163200000 -0.05065909730000 0.02230823060000 -0.00628221780000 0.00890960290000 -0.01506771830000 0.02427039280000 -0.02372579060000 0.04735056180000 -0.00331398650000 0.36697053890000 -0.26099715240000 -2.56861768740000 4.62945827630000
0.23295515910000 -0.12562030850000 0.05565395440000 -0.01564353560000 0.02191294800000 -0.03780291750000 0.05076159550000 -0.02373365740000 0.01866230680000 -0.43304028790000 -0.45905975230000 -2.01530972800000 5.49462106080000 -5.08740119260000
0.37756803320000 -0.21686390070000 0.09842791670000 -0.02791912640000 0.03994398420000 -0.06730832170000 0.11908724530000 -0.14026220400000 0.30601659010000 0.34383489320000 2.95714712760000 5.27878598400000 -6.40234155420000 4.46369134230000
0.32309022380000 -0.15105318770000 0.06172816540000 -0.01686967660000 0.02263721310000 -0.04150015680000 0.01539275360000 0.11079885350000 -0.36023330550000 -1.74765225090000 -7.03068847700000 -6.07494978760000 5.42808357500000 -3.40690093530000
0.10374099810000 0.23682713840000 -0.15159448800000 0.04501660140000 -0.06136921530000 0.11862144960000 -0.11238166720000 -0.16753182560000 0.65918861300000 5.73317691670000 8.48082869830000 4.76484165740000 -3.83951914570000 2.35894475430000
0.01736816790000 0.57737771250000 -0.41290844060000 0.12856716150000 -0.19170290170000 0.31847385450000 -0.75269529800000 1.28673084750000 -3.22018224300000 -8.19631437420000 -6.86298162550000 -3.06284886440000 2.44277481000000 -1.51622311550000
0.00577368030000 0.29973754030000 -0.10491244110000 0.01926148710000 -0.03447645870000 0.13282979660000 0.53391926920000 -2.21244873260000 6.48981783720000 7.09359204640000 4.37579386420000 1.77229767590000 -1.44310125360000 0.90958348570000
0.00024691910000 0.03205715910000 0.58417636220000 -0.22937375100000 0.43884570500000 -1.31448402640000 1.92852973620000 1.32375165890000 -7.35741228980000 -4.51417785000000 -2.41308066220000 -0.95399505880000 0.79266652900000 -0.50518948950000
-0.00004462090000 0.01274475170000 0.52195222970000 -0.25429791440000 0.31654278060000 0.55750520080000 -3.71442759750000 0.52005829560000 5.86397366700000 2.37003208120000 1.20085938410000 0.47557695950000 -0.39964137910000 0.25624628540000
-0.00002989720000 -0.00004112320000 0.08485496220000 0.14701809630000 -0.81177350710000 1.48013614820000 3.02380590970000 -1.82978458210000 -3.77529109340000 -1.08389500310000 -0.54319864170000 -0.21612156190000 0.18246857570000 -0.11731372290000
0.00000684540000 0.00063071800000 0.00065559960000 0.68418252440000 -0.48600744400000 -1.83176653680000 -1.21577961480000 2.25678728860000 2.16462779020000 0.44447952540000 0.22308202510000 0.08885235080000 -0.07515080090000 0.04836443110000
-0.00000250230000 -0.00024192230000 0.00048019740000 0.35100903260000 0.97765120360000 0.67428111430000 -0.19689960270000 -2.20581988320000 -1.23749778890000 -0.17189811660000 -0.08565951430000 -0.03394974650000 0.02873956860000 -0.01850021020000
0.00000082280000 0.00007568710000 -0.00012214010000 -0.00467656710000 0.12851141570000 0.31124415110000 0.59430656560000 1.45629980370000 0.59340627440000 0.05488493640000 0.02681872380000 0.01050902660000 -0.00890296810000 0.00573042580000
* d-type functions
12 10
2008.57333390
577.79381888
214.61481654
92.41851381
43.02227373
20.75592817
10.12712822
4.91420490
2.32681530
1.04175961
0.41793294
0.16766626
0.00060320690000 -0.00024032690000 0.00014496430000 -0.00030945550000 0.00039835450000 -0.00052537940000 0.00024024430000 -0.00571061980000 0.01348600780000 -0.03053247760000
0.00525545750000 -0.00211329650000 0.00127740720000 -0.00263217610000 0.00301011750000 -0.00357465610000 -0.01520805790000 0.01731060500000 -0.14017368450000 0.05868655480000
0.02831840840000 -0.01141667650000 0.00690417360000 -0.01476499650000 0.01894592420000 -0.02492673840000 0.00056868400000 -0.24985088110000 0.43267147930000 -1.96935202700000
0.10041185350000 -0.04126299110000 0.02510217930000 -0.05232603790000 0.06087415360000 -0.07368021730000 -0.31126428600000 0.30574421700000 -2.70951097300000 2.75767344000000
0.24284936130000 -0.10034246980000 0.06132392470000 -0.13455544060000 0.18104736470000 -0.24730781360000 0.10589302630000 -2.39653407320000 4.24736209020000 -2.24854083460000
0.38423387630000 -0.15455024800000 0.09127250250000 -0.16771189130000 0.13721186210000 -0.08934774330000 -1.49168500130000 4.54779930080000 -3.76170341820000 1.45270231380000
0.34350462850000 -0.09277370670000 0.04649047510000 -0.06906645750000 0.07461718320000 -0.07580521270000 3.89112128890000 -4.44202078260000 2.45099733000000 -0.85662168650000
0.11919003540000 0.20158904880000 -0.16686540610000 0.52100043760000 -1.06014045310000 1.84467844340000 -4.48870969510000 2.92991488720000 -1.35330792450000 0.47888475760000
0.01076898380000 0.46647246000000 -0.33765654120000 0.50306962960000 0.64396833010000 -3.22197192400000 3.22999658310000 -1.50068710000000 0.66811496570000 -0.24544447350000
0.00021579280000 0.40534725110000 -0.01794550710000 -0.96505936850000 0.86641926080000 2.93692499860000 -1.68127781750000 0.64797489730000 -0.29240180550000 0.11021549650000
-0.00003889720000 0.11307780190000 0.57399166170000 -0.23116263740000 -1.67251648480000 -1.88039820220000 0.71506733560000 -0.25214595060000 0.11536183450000 -0.04399964220000
0.00000089180000 0.00150456040000 0.49197371860000 0.77903495680000 1.10743162370000 0.79986304580000 -0.23500231740000 0.07971120860000 -0.03672881740000 0.01405793370000
* f-type functions
6 6
6.26092259
3.45030465
1.95246100
1.01659270
0.46847556
0.19944371
0.16444712240000 -0.08094197770000 0.11406635550000 -0.16047050000000 0.37307480880000 -2.65262290960000
0.22159288500000 -0.25403039880000 0.73699202550000 -0.99415389160000 1.18603735870000 5.17762196280000
0.43784897390000 -0.23143348660000 -0.14998201140000 1.35796510350000 -3.35675359470000 -4.76048313980000
0.27272467470000 0.11574631210000 -0.89940956520000 0.13999572920000 3.47502765400000 2.66039862610000
0.11149014410000 0.62470421140000 0.10994413700000 -1.34718238220000 -2.20940781080000 -1.09361800580000
0.01631405570000 0.36468492160000 0.64141485560000 1.08484907230000 0.90725539130000 0.33081493470000
* g-type functions
5 5
4.60502661
2.41064556
1.20827342
0.61019891
0.27411336
0.18967456140000 -0.29696223230000 0.50192240590000 -0.82712674980000 1.59290234670000
0.40523731410000 -0.42120601210000 0.23991865000000 0.43216244120000 -2.91622868380000
0.35731743940000 0.02731727030000 -0.80157523900000 1.04453541320000 2.88415262950000
0.23769547910000 0.58328130720000 -0.14901330210000 -1.71286589330000 -1.85292475410000
0.09038427030000 0.35668818160000 0.83413133280000 1.05630887860000 0.67732707490000
* h-type functions
3 3
2.90345480
1.28078609
0.48018248
0.67373115710000 -0.53452372190000 0.94672480120000
0.37833257380000 0.16442814200000 -1.38309627740000
0.15917416990000 0.86374860780000 0.77612678320000
/I.ANO-R.Zobel.23s18p12d6f5g3h.15s14p11d6f5g3h.
J.P. Zobel, P.-O. Widmark, V. Veryazov. J. Chem. Theory Comput. 16 (2020) 278-294. doi:10.1021/acs.jctc.9b00873
IODINE (23s,18p,12d,6f,5g,3h) -> [15s,14p,11d,6f,5g,3h]
53.0 5
* s-type functions
23 15
51820322.36400000
10179792.47600000
2409334.22440000
662581.13834000
205498.06542000
70162.99910500
25869.71620000
10147.06347100
4185.53130950
1799.77160820
801.34412111
367.45115842
172.68489831
82.75879391
40.20942587
19.65839967
9.57667539
4.58921282
2.12757530
0.93424375
0.37843657
0.13690528
0.04952760
0.00013761240000 -0.00006920950000 0.00003290900000 -0.00001239130000 0.00000368450000 -0.00000140190000 0.00000628010000 -0.00000956120000 0.00001369560000 -0.00002237530000 0.00004935610000 -0.00005556140000 0.00011552430000 -0.00365870840000 0.00182360450000
0.00040679730000 -0.00020467120000 0.00009734370000 -0.00003665450000 0.00001089920000 -0.00000414940000 0.00001857750000 -0.00002821750000 0.00004025300000 -0.00006893580000 0.00013977170000 -0.00021203210000 0.00017961780000 0.01029346100000 -0.02104703110000
0.00100445400000 -0.00050579150000 0.00024065530000 -0.00009063540000 0.00002695170000 -0.00001024900000 0.00004593800000 -0.00007007560000 0.00010073080000 -0.00015788220000 0.00037419790000 -0.00031161980000 0.00102962150000 0.00071548020000 0.06106219230000
0.00227318920000 -0.00114676410000 0.00054621780000 -0.00020576040000 0.00006118760000 -0.00002332000000 0.00010429710000 -0.00015778900000 0.00022346500000 -0.00041386610000 0.00072582660000 -0.00158962670000 -0.00008162220000 -0.02679692240000 0.05397902400000
0.00503494170000 -0.00254841320000 0.00121575960000 -0.00045831690000 0.00013631600000 -0.00005173550000 0.00023234380000 -0.00035709720000 0.00052013760000 -0.00068907650000 0.00214050720000 -0.00009051280000 0.00944694980000 0.01760690980000 -0.82278815270000
0.01107517710000 -0.00563790140000 0.00269868880000 -0.00101796110000 0.00030279150000 -0.00011576680000 0.00051619660000 -0.00077127600000 0.00106752680000 -0.00244881300000 0.00270614410000 -0.01286561190000 -0.01266308160000 0.19400165830000 2.79578225100000
0.02450589180000 -0.01259677310000 0.00605753870000 -0.00229006050000 0.00068155030000 -0.00025750060000 0.00116165920000 -0.00181808510000 0.00273004140000 -0.00215077940000 0.01365136830000 0.01512351990000 0.08573150810000 -1.58344799930000 -4.95617063600000
0.05379976010000 -0.02814706810000 0.01367040320000 -0.00517780930000 0.00154139100000 -0.00059276110000 0.00262875110000 -0.00383208030000 0.00505842820000 -0.01635075540000 0.00524368390000 -0.11025753820000 -0.17925099410000 2.96238538100000 3.55022333400000
0.11349088020000 -0.06145354750000 0.03034080340000 -0.01157305170000 0.00345087360000 -0.00129442360000 0.00588274740000 -0.00948802490000 0.01493239210000 -0.00022054670000 0.09371850050000 0.20570642570000 0.72076832000000 -1.03787305470000 -0.62983031300000
0.21335490830000 -0.12399885800000 0.06345208430000 -0.02441134000000 0.00729058260000 -0.00283044870000 0.01244711450000 -0.01739542030000 0.02099624890000 -0.10809875210000 -0.03847688460000 -0.89075829070000 -1.59152817410000 0.35495285680000 -1.80927527840000
0.30891878860000 -0.20772966020000 0.11319690140000 -0.04461396440000 0.01339778270000 -0.00494524070000 0.02286625840000 -0.03938214950000 0.06791569760000 0.09054325310000 0.60445808270000 1.63888946680000 6.13506290280000 -2.45353527400000 3.38563732790000
0.25733723090000 -0.21929086700000 0.13202120390000 -0.05332886880000 0.01609683690000 -0.00654425410000 0.02759560330000 -0.03024216190000 0.01357420990000 -0.57438577780000 -0.83740953390000 -5.36799503880000 -1.295374391920e1 3.56161307170000 -3.51558298480000
0.09307483110000 0.01399713820000 -0.02896545810000 0.01359396720000 -0.00422373420000 0.00266935590000 -0.00737067530000 -0.02001111440000 0.10783125080000 1.22994140500000 2.47253302570000 13.24796516850000 15.59398959920000 -3.10782250400000 2.78848090510000
0.07831147320000 0.43076235740000 -0.46677381520000 0.23318671510000 -0.07402855730000 0.02569800870000 -0.12960657050000 0.28547694810000 -0.63490534630000 -2.23528828200000 -9.33702865100000 -1.875733423590e1 -1.338238266920e1 2.27799947470000 -1.99075223020000
0.07135822550000 0.39140716250000 -0.62606868610000 0.34860149010000 -0.11408716160000 0.04952504600000 -0.19913286960000 0.14049784960000 0.22779210650000 7.38947754180000 16.46271751220000 17.95486509540000 9.59842111460000 -1.57673618590000 1.36737033850000
0.01827040750000 0.13511723530000 0.20738135490000 -0.16683187140000 0.05896155800000 -0.03539827930000 0.11760148300000 0.12678249630000 -0.99460317770000 -1.544885835340e1 -1.704328324170e1 -1.334466579260e1 -6.26689181000000 1.04401494110000 -0.90427856560000
0.01371993320000 0.15688972000000 0.80845663270000 -1.01112018980000 0.40558995210000 -0.13226416260000 0.76779359940000 -2.19516804510000 6.11557123060000 18.87089726660000 12.44090205330000 8.39881743190000 3.82089209420000 -0.64881828240000 0.56282016490000
0.00313232250000 0.03967544470000 0.22774005500000 -0.13467773180000 0.03577320490000 -0.06192800070000 0.04473370830000 2.17619422130000 -1.183033618310e1 -1.542118013430e1 -7.24191410360000 -4.69126401110000 -2.15780023040000 0.37059100410000 -0.32212090270000
0.00026201070000 0.00328159690000 0.06928897780000 1.03988692050000 -0.65642791500000 0.36035093740000 -2.17857646890000 1.90992747380000 12.61915075900000 9.46530752200000 3.63096788320000 2.36717510880000 1.10995556800000 -0.19154852550000 0.16675085600000
-0.00005958630000 0.00041596550000 0.02455921410000 0.36270785780000 -0.44849783200000 0.04046077140000 1.38828638350000 -5.55682219870000 -9.12600734760000 -4.74237968080000 -1.63254008700000 -1.08098352530000 -0.51399382740000 0.08885634430000 -0.07742212250000
0.00003479350000 0.00012744440000 -0.00107133710000 -0.01053094810000 0.84033521680000 -0.16278841570000 1.78219020740000 5.50629468160000 5.00818490990000 2.04465761230000 0.66678985000000 0.44587760290000 0.21354415860000 -0.03694185390000 0.03220184540000
-0.00001394400000 -0.00005589090000 0.00046049380000 0.00603456910000 0.58513977480000 -1.27823731860000 -2.77738101410000 -3.36164935760000 -2.22356004400000 -0.78199389770000 -0.24821195360000 -0.16671718950000 -0.08007845320000 0.01385752710000 -0.01208145970000
0.00000390960000 0.00001570090000 -0.00012516090000 -0.00156986480000 -0.00511744970000 1.75834693120000 1.20402829820000 1.13094987170000 0.66166261290000 0.21917884530000 0.06899531830000 0.04642188980000 0.02231738880000 -0.00386254920000 0.00336765140000
* p-type functions
18 14
332161.11987000
55270.52180400
12927.25313400
3883.46018610
1395.15585100
567.25601244
250.45500427
116.52181971
55.91727749
27.26417364
13.35412268
6.50455203
3.11490147
1.44442999
0.63480351
0.25651540
0.09142087
0.03258196
0.00009842520000 -0.00004772050000 0.00002127500000 -0.00000627670000 0.00000875350000 -0.00001440350000 0.00002072390000 -0.00001569480000 0.00002952140000 -0.00007403720000 0.00007335190000 -0.00029228040000 0.00226087940000 -0.00933147190000
0.00044967420000 -0.00021854660000 0.00009755130000 -0.00002879770000 0.00004029570000 -0.00006606820000 0.00009764060000 -0.00008242680000 0.00016079030000 -0.00021303400000 0.00077021370000 -0.00090803110000 -0.01650831730000 0.03260766430000
0.00205241980000 -0.00100058200000 0.00044633300000 -0.00013164670000 0.00018305560000 -0.00030235240000 0.00042434300000 -0.00028587310000 0.00051392970000 -0.00208937740000 -0.00023560900000 -0.00746081010000 0.03595666740000 -0.16805346190000
0.00846221210000 -0.00415608500000 0.00186086910000 -0.00054990610000 0.00077182780000 -0.00126085990000 0.00191170100000 -0.00176341510000 0.00353446330000 -0.00188329280000 0.02235891970000 -0.01258468980000 -0.27913486330000 0.31492085750000
0.03089796400000 -0.01537030880000 0.00688291300000 -0.00203093590000 0.00281647610000 -0.00467173880000 0.00640605690000 -0.00378550650000 0.00641964130000 -0.04041172400000 -0.02887436560000 -0.14832142420000 0.17556262830000 -2.57793478380000
0.09522020560000 -0.04877565780000 0.02206486990000 -0.00653654710000 0.00920216570000 -0.01499272650000 0.02332090550000 -0.02314090260000 0.04742543540000 -0.00086478150000 0.35649030720000 -0.24693251130000 -2.50225514100000 4.57440528040000
0.22786257490000 -0.12213968160000 0.05558588580000 -0.01644706930000 0.02273320570000 -0.03796566190000 0.05046230580000 -0.02374777990000 0.03560570330000 -0.43123197800000 -0.47544967050000 -2.02651689780000 5.40113126790000 -5.04963908610000
0.37565100850000 -0.21458057280000 0.09995432070000 -0.02982594480000 0.04247551420000 -0.06886394850000 0.11633004860000 -0.13927662250000 0.29748884700000 0.35085575170000 3.03042279390000 5.23188734220000 -6.31786604120000 4.43807493320000
0.32999854810000 -0.15754284260000 0.06711000710000 -0.01939732650000 0.02524078070000 -0.04511042460000 0.02550535100000 0.10394746090000 -0.28754867300000 -1.78538363430000 -7.12478146020000 -5.97270650080000 5.38534476200000 -3.39780846130000
0.10884704720000 0.22381495880000 -0.14744108410000 0.04639894770000 -0.06147811630000 0.11851985910000 -0.12193706960000 -0.16491555390000 0.45059996120000 5.82787905950000 8.58993603190000 4.66930291730000 -3.83934697720000 2.36813939450000
0.01598195360000 0.57642807080000 -0.42022738010000 0.13817438940000 -0.20750302440000 0.32950837290000 -0.72281773170000 1.27459375290000 -3.00301444080000 -8.44614012880000 -6.99539008430000 -3.00939707990000 2.46687816950000 -1.53686188990000
0.00490540090000 0.30971695560000 -0.12170309990000 0.02609644710000 -0.03580472010000 0.13541430210000 0.46317967070000 -2.13691353500000 6.42027488150000 7.51449504950000 4.50760545000000 1.75508925410000 -1.47335655680000 0.93239744220000
0.00011173270000 0.03569995110000 0.58577305980000 -0.24739817260000 0.45951730230000 -1.35975418250000 2.02411291560000 1.15679575460000 -7.43215639710000 -4.95778843250000 -2.51618840750000 -0.95456891980000 0.81813384960000 -0.52374804080000
-0.00009821180000 0.01397207510000 0.52870086920000 -0.27609402200000 0.35084216470000 0.64079740720000 -3.82334407280000 0.73798787180000 5.97366199350000 2.70542100380000 1.26646933910000 0.48059033140000 -0.41642289110000 0.26829051300000
-0.00003961330000 0.00004911500000 0.08320405290000 0.18132111770000 -0.92322024520000 1.43686167100000 3.12583256100000 -2.02684612390000 -3.84285316860000 -1.28924209350000 -0.57810755050000 -0.22001424500000 0.19143605950000 -0.12370184120000
0.00000768570000 0.00065430810000 0.00157087120000 0.68644251690000 -0.38282066860000 -1.89462366800000 -1.27446297290000 2.39225909340000 2.18521218240000 0.55611796620000 0.23905326480000 0.09080022580000 -0.07910591060000 0.05117825500000
-0.00000271720000 -0.00025208160000 0.00059157600000 0.32921317140000 0.97200058410000 0.75468775980000 -0.20331159560000 -2.28357630530000 -1.22951529730000 -0.23223711640000 -0.09243221200000 -0.03470572210000 0.03024584140000 -0.01957779280000
0.00000090200000 0.00007856730000 -0.00007584810000 -0.00566005840000 0.10247455590000 0.29087676880000 0.63034819530000 1.48399571960000 0.57697550770000 0.08237747780000 0.02917550250000 0.01070845720000 -0.00933285240000 0.00604285490000
* d-type functions
12 11
2186.15995020
625.70910069
232.32291445
100.10697984
46.62697710
22.51868553
11.01941754
5.37980016
2.57165579
1.16458547
0.47141171
0.19082241
0.00057019120000 -0.00023407270000 0.00013395680000 -0.00028742240000 0.00038640380000 -0.00051881940000 0.00035035620000 -0.00540440520000 0.01507441710000 -0.03465571250000 0.10162578870000
0.00495855490000 -0.00205441140000 0.00117744500000 -0.00245893810000 0.00290497220000 -0.00463859960000 -0.01504734490000 0.01652575850000 -0.14015573230000 0.07065189930000 -1.66890288690000
0.02680567710000 -0.01113477850000 0.00638650970000 -0.01374172360000 0.01841641990000 -0.02543109970000 0.00580624730000 -0.23662901170000 0.56051445520000 -1.96653255950000 2.08594201180000
0.09598023940000 -0.04063296400000 0.02341318120000 -0.04948375500000 0.05948927750000 -0.09687197860000 -0.31204248590000 0.28119849690000 -2.89508710010000 2.60610780670000 -1.83922649800000
0.23620758680000 -0.10067700610000 0.05833411010000 -0.12882717740000 0.18099910710000 -0.25320286380000 0.15033375580000 -2.39078492920000 4.42438638080000 -2.01162841100000 1.39255258240000
0.38113882190000 -0.15853397420000 0.08935413800000 -0.16823931960000 0.14544505330000 -0.20424450550000 -1.55131361420000 4.58044309550000 -3.92381943250000 1.26114734180000 -0.96385439270000
0.34926100370000 -0.10109542220000 0.05108648900000 -0.07515728120000 0.08291775870000 0.19535363650000 4.01943860310000 -4.51688292460000 2.58823953140000 -0.74855438750000 0.62018478750000
0.12646002100000 0.19428894430000 -0.15236055220000 0.48182432690000 -1.03294446750000 1.60798531400000 -4.80530773050000 3.01314668660000 -1.45029823850000 0.42902627890000 -0.36579254340000
0.01227969590000 0.47052888850000 -0.33560337910000 0.55566442040000 0.50536101650000 -3.10419401810000 3.63587320560000 -1.55589163260000 0.72313177200000 -0.22450148540000 0.19147300310000
0.00021221060000 0.40779366930000 -0.04752711900000 -0.95317565630000 1.03579576770000 2.86687281520000 -1.99148275470000 0.67117608310000 -0.31681335280000 0.10159393490000 -0.08621905120000
-0.00004212950000 0.10866249390000 0.59376036430000 -0.30088399560000 -1.75925813240000 -1.81400594920000 0.88690197120000 -0.25903818230000 0.12427350380000 -0.04044294410000 0.03422410310000
-0.00000215950000 0.00141498320000 0.48936849500000 0.81844959310000 1.12691078010000 0.76076271480000 -0.30223628480000 0.08137056840000 -0.03936923340000 0.01286571870000 -0.01087886160000
* f-type functions
6 6
6.43067716
3.47244230
1.94126087
1.01787673
0.48262057
0.21327875
0.18602903820000 -0.09708830950000 0.15967661280000 -0.27211344040000 0.46127109960000 -2.49932292590000
0.25552795890000 -0.23058229230000 0.69165786770000 -0.97151181060000 0.76100613220000 5.02003636690000
0.42986644680000 -0.23259539580000 -0.19427893090000 1.68238834960000 -2.94914396550000 -4.88556969290000
0.22432808610000 0.10454262380000 -0.90286596560000 -0.29282974710000 3.54564219160000 2.95604324290000
0.11689480690000 0.64093654150000 0.11973200130000 -1.11614205510000 -2.53275952120000 -1.30207501850000
0.02685139240000 0.35384670280000 0.63530503750000 1.02136110170000 1.10980152450000 0.40249584740000
* g-type functions
5 5
4.41942299
2.38806441
1.26108123
0.64844214
0.29920504
0.20849296520000 -0.37285027480000 0.71911579030000 -0.83295550760000 1.69674421740000
0.28520528000000 -0.36704674490000 0.03764902770000 0.60520565230000 -3.40426925110000
0.31718306480000 -0.13068743360000 -0.83792545620000 0.92412410960000 3.42913074360000
0.33715080600000 0.54254900440000 -0.06681557030000 -1.79154653790000 -2.12065397930000
0.17181711100000 0.38816120340000 0.71105713790000 1.18007397000000 0.75280275270000
* h-type functions
3 3
2.98248103
1.27689349
0.50675399
0.67708565360000 -0.62042247620000 0.86029387160000
0.34961816040000 0.22201226890000 -1.39647961420000
0.21284060230000 0.80132587240000 0.87654960920000
/Xe.ANO-R.Zobel.23s18p12d6f5g4h.14s14p11d6f5g4h.
J.P. Zobel, P.-O. Widmark, V. Veryazov. J. Chem. Theory Comput. 16 (2020) 278-294. doi:10.1021/acs.jctc.9b00873
XENON (23s,18p,12d,6f,5g,4h) -> [14s,14p,11d,6f,5g,4h]
54.0 5
* s-type functions
23 14
51951380.49100000
10366806.42100000
2475718.89390000
684017.13219000
212603.46754000
72657.81828400
26805.95149700
10522.47026300
4345.39634820
1871.35466080
834.65134271
383.36678816
180.41368836
86.54014543
42.06122525
20.56257540
10.01672512
4.80362112
2.23298241
0.98674415
0.40459634
0.14945607
0.05520840
0.00014489870000 -0.00007322570000 0.00003679280000 -0.00001497920000 0.00000407810000 -0.00000151150000 0.00000655340000 -0.00001036490000 0.00001465500000 -0.00002391200000 0.00005220830000 -0.00006220860000 0.00020857170000 -0.00300106150000
0.00042528100000 -0.00021500360000 0.00010805620000 -0.00004399450000 0.00001197800000 -0.00000444260000 0.00001924960000 -0.00003036960000 0.00004281310000 -0.00007305190000 0.00014448040000 -0.00022633160000 -0.00002369270000 0.00612222720000
0.00104432550000 -0.00052840660000 0.00026567000000 -0.00010818740000 0.00002945540000 -0.00001091080000 0.00004733260000 -0.00007501450000 0.00010632810000 -0.00016693440000 0.00039477490000 -0.00035188380000 0.00142294040000 -0.01254332100000
0.00235057200000 -0.00119151760000 0.00059971450000 -0.00024428820000 0.00006652170000 -0.00002470210000 0.00010691850000 -0.00016798690000 0.00023562120000 -0.00043228830000 0.00072419080000 -0.00160779200000 -0.00082663420000 0.04356538680000
0.00517962980000 -0.00263430060000 0.00132797190000 -0.00054135390000 0.00014742150000 -0.00005448890000 0.00023686000000 -0.00037833030000 0.00054132280000 -0.00072762950000 0.00230160340000 -0.00038675020000 0.01105714450000 -0.16758400520000
0.01132702640000 -0.00579385450000 0.00293060450000 -0.00119566230000 0.00032577240000 -0.00012139990000 0.00052380430000 -0.00081234200000 0.00112113410000 -0.00251193760000 0.00239410330000 -0.01300957100000 -0.01170070250000 0.29996719070000
0.02490253050000 -0.01286205240000 0.00653538210000 -0.00267253770000 0.00072827210000 -0.00026781010000 0.00116968880000 -0.00190441300000 0.00278616190000 -0.00231622890000 0.01513926670000 0.01525106780000 0.06755283550000 -0.18031344950000
0.05428931540000 -0.02853364130000 0.01464261560000 -0.00600270630000 0.00163806450000 -0.00061448760000 0.00263601120000 -0.00398214030000 0.00531287410000 -0.01648362730000 0.00105208840000 -0.11300927020000 -0.14193935210000 -1.40749215380000
0.11370329900000 -0.06182076780000 0.03223658310000 -0.01331300340000 0.00363650330000 -0.00132612330000 0.00583814470000 -0.00981806000000 0.01488560230000 -0.00093981260000 0.10707632620000 0.20400408020000 0.66494505630000 4.76365074540000
0.21234651750000 -0.12373386470000 0.06683909770000 -0.02788659490000 0.00765044590000 -0.00290167500000 0.01233373900000 -0.01779898710000 0.02227856760000 -0.10761769170000 -0.07662591480000 -0.89404661480000 -1.56642347840000 -1.049218221800e1
0.30606138450000 -0.20565860340000 0.11809358740000 -0.05054464180000 0.01393584070000 -0.00498696080000 0.02236942390000 -0.04038761550000 0.06576981950000 0.08694060880000 0.71037642380000 1.62404032890000 6.17926531410000 14.97047704070000
0.25505149100000 -0.21562570770000 0.13654675780000 -0.06011748480000 0.01679161540000 -0.00671307840000 0.02727972450000 -0.03025743340000 0.02082273330000 -0.56533314340000 -1.10149578040000 -5.33285259060000 -1.308403029620e1 -1.472319492120e1
0.09371977580000 0.01200976650000 -0.02921012840000 0.01546304290000 -0.00465995970000 0.00296355620000 -0.00803084820000 -0.02133997460000 0.08946418070000 1.20125150730000 2.92949107600000 13.19464463490000 15.76637380750000 11.62985276220000
0.08105799770000 0.41247223130000 -0.47026204740000 0.25878696270000 -0.07683594690000 0.02560395760000 -0.12584786420000 0.29489627640000 -0.59620824600000 -2.14406591760000 -9.89446769940000 -1.859708334970e1 -1.347652070490e1 -8.36106044910000
0.07381228020000 0.36897974940000 -0.62479446770000 0.38584741600000 -0.12080423750000 0.05185981920000 -0.20011593410000 0.13835378270000 0.12197649990000 7.22890806460000 17.02635683980000 17.67275128110000 9.57078512250000 5.78029986340000
0.01970055120000 0.14345042240000 0.19883712340000 -0.18565665420000 0.06606780290000 -0.03953026910000 0.12425365410000 0.14020574320000 -0.76102582200000 -1.533498708900e1 -1.758362200280e1 -1.307036592920e1 -6.18745342480000 -3.84471170850000
0.01584124170000 0.18308563350000 0.75086834170000 -1.07379323930000 0.42506846750000 -0.13158785790000 0.75321763610000 -2.32191448820000 5.82023548180000 18.97527963650000 12.92670855000000 8.23533413620000 3.76158656500000 2.41001956430000
0.00359207330000 0.04636609090000 0.21629112640000 -0.12037419320000 0.03282818460000 -0.06904583530000 0.05066895230000 2.45632250630000 -1.171441654000e1 -1.576592998680e1 -7.62596177160000 -4.63723051940000 -2.13709715800000 -1.39347372340000
0.00047514940000 0.00893092530000 0.12327008800000 1.05224818010000 -0.71913845810000 0.39754937460000 -2.21935073330000 1.65922236820000 12.84148882990000 9.89203151800000 3.89193370210000 2.37294908050000 1.11397044070000 0.73168207420000
-0.00001572770000 0.00204935460000 0.03945977680000 0.33805482120000 -0.41143354360000 -0.01331824600000 1.47030239800000 -5.54310178710000 -9.55704887730000 -5.08868771700000 -1.78560022970000 -1.10337815280000 -0.52519970000000 -0.34584987170000
0.00003975930000 0.00010423910000 -0.00142402480000 -0.01030014800000 0.88285084020000 -0.11965221280000 1.79384487450000 5.67341189860000 5.40126442310000 2.25362543170000 0.74402489550000 0.46380701720000 0.22239371000000 0.14658977730000
-0.00001607590000 -0.00004429140000 0.00066077790000 0.00578279150000 0.54263532820000 -1.33076315060000 -2.88966891650000 -3.50871781280000 -2.44616773550000 -0.87729178300000 -0.28040511150000 -0.17547889660000 -0.08439515680000 -0.05565133930000
0.00000450890000 0.00001314240000 -0.00016953710000 -0.00144625140000 -0.00125514630000 1.79621132060000 1.25693708560000 1.17501923670000 0.72711310840000 0.24533919010000 0.07759665030000 0.04863649300000 0.02341354190000 0.01544150980000
* p-type functions
18 14
361924.04108000
59801.39061000
13915.99910800
4164.48836270
1491.54527150
604.88494380
266.47562657
123.74635173
59.30570397
28.90066901
14.16401964
6.91378305
3.32463982
1.55199473
0.68871587
0.28200300
0.10225041
0.03707459
0.00009910820000 -0.00004682090000 0.00002207480000 -0.00000665810000 0.00000921670000 -0.00001490690000 0.00002092970000 -0.00001598870000 0.00003128600000 -0.00007390190000 0.00007649830000 -0.00027936170000 0.00136466850000 -0.00767186380000
0.00045026250000 -0.00021323630000 0.00010064280000 -0.00003037070000 0.00004219940000 -0.00006806240000 0.00009780780000 -0.00008285250000 0.00016596900000 -0.00021182010000 0.00077194430000 -0.00097822530000 -0.01339904470000 0.02548510460000
0.00203384740000 -0.00096627450000 0.00045580040000 -0.00013745780000 0.00018964210000 -0.00030769600000 0.00042261730000 -0.00028828840000 0.00054804350000 -0.00206418330000 -0.00015165870000 -0.00670058000000 0.01739527670000 -0.14137082660000
0.00831785600000 -0.00398123760000 0.00188429250000 -0.00056919030000 0.00079374880000 -0.00127637180000 0.00187751020000 -0.00173869380000 0.00355134940000 -0.00174344940000 0.02204394940000 -0.01256782840000 -0.24842827540000 0.14524293140000
0.03026726890000 -0.01467460550000 0.00694567920000 -0.00209588060000 0.00288248980000 -0.00469474680000 0.00631346570000 -0.00378103580000 0.00692914860000 -0.03981510310000 -0.02725231900000 -0.13132531320000 -0.05371176670000 -2.30029497020000
0.09348292450000 -0.04666746780000 0.02229009320000 -0.00675086850000 0.00944861110000 -0.01516387760000 0.02283726860000 -0.02276722060000 0.04731744860000 0.00133069130000 0.35159304940000 -0.27202309270000 -2.08017386290000 4.49099144130000
0.22538464260000 -0.11777902770000 0.05655415460000 -0.01712199580000 0.02346171590000 -0.03845621300000 0.05033939290000 -0.02428263260000 0.04169897050000 -0.42909340860000 -0.45758612290000 -2.00015364950000 4.89441787730000 -5.28014636180000
0.37617088410000 -0.20962717510000 0.10282238880000 -0.03137933430000 0.04448276270000 -0.07122694160000 0.11559501750000 -0.13857973270000 0.29658625920000 0.35842524460000 3.00534341060000 5.19907953940000 -5.84387364720000 4.83356850180000
0.33607337020000 -0.15871466520000 0.07209909710000 -0.02137956580000 0.02736544810000 -0.04714153340000 0.03063129490000 0.09844739620000 -0.26253940360000 -1.82364667040000 -7.09274971130000 -5.95981559010000 5.02336375140000 -3.78087472150000
0.11054470000000 0.21675617190000 -0.14762098730000 0.04805857660000 -0.06283570560000 0.11936353910000 -0.12911974360000 -0.15396575780000 0.37600061860000 5.90716811740000 8.57325181200000 4.69289701990000 -3.60512352470000 2.66192859510000
0.01028390930000 0.57419889420000 -0.43167538830000 0.14630721910000 -0.22029522240000 0.34735628300000 -0.70960797830000 1.26148237860000 -2.93730112490000 -8.61903757650000 -7.01709623520000 -3.05561548720000 2.33495825580000 -1.73920030870000
0.00163936380000 0.31362391110000 -0.13128209200000 0.02986070420000 -0.03343808630000 0.12135345440000 0.44176227560000 -2.13347114920000 6.45376460180000 7.78919765590000 4.55819319320000 1.80376711520000 -1.40883568860000 1.06365596030000
-0.00045148710000 0.04125012830000 0.59275539900000 -0.26470417390000 0.47985483910000 -1.40782558390000 2.07951864110000 1.15783961720000 -7.58239892230000 -5.24361408400000 -2.57169697370000 -0.99397605950000 0.79180704940000 -0.60379691770000
-0.00037504940000 0.01774639140000 0.52859672280000 -0.28997437330000 0.36635533570000 0.74847152710000 -3.95898080980000 0.77254936000000 6.16704056150000 2.92027928390000 1.31022001820000 0.50715618510000 -0.40826742550000 0.31306460650000
-0.00006354110000 0.00048150820000 0.07907624550000 0.21339774970000 -1.00183220110000 1.37910913430000 3.30837742760000 -2.11668332650000 -4.00334777890000 -1.41799334620000 -0.60519381410000 -0.23511814600000 0.19001271520000 -0.14608282080000
0.00000214680000 0.00070220390000 0.00265447830000 0.67629473300000 -0.31310722550000 -1.94462143870000 -1.40946401970000 2.51003269230000 2.29038367070000 0.62185914660000 0.25261489630000 0.09804254180000 -0.07930568710000 0.06103509650000
-0.00000076210000 -0.00026470760000 0.00055622220000 0.31826314810000 0.96423547490000 0.81303121040000 -0.15910248800000 -2.38643361810000 -1.28718263980000 -0.26295493070000 -0.09806105120000 -0.03768324190000 0.03047486730000 -0.02346368820000
0.00000027870000 0.00008300260000 0.00000298850000 -0.00212067330000 0.09065021200000 0.27550604730000 0.63318117950000 1.52649491710000 0.59513226450000 0.09355104380000 0.03077506950000 0.01159118110000 -0.00936688640000 0.00721330470000
* d-type functions
12 11
2363.57234120
673.23204051
249.87567579
107.72782703
50.19627555
24.26286652
11.90414657
5.84451430
2.81857739
1.28969729
0.52596034
0.21449551
0.00054512890000 -0.00022983680000 0.00012545630000 -0.00026636300000 0.00037877640000 -0.00052549210000 0.00041471840000 -0.00509978790000 0.01403231980000 -0.03598230450000 0.07887098830000
0.00472950890000 -0.00201264000000 0.00110104040000 -0.00229689930000 0.00283689510000 -0.00453063110000 -0.01512050830000 0.01469361690000 -0.14013010740000 0.08820459180000 -1.64936928420000
0.02561450870000 -0.01092786280000 0.00597746530000 -0.01273799170000 0.01805960070000 -0.02570584110000 0.00902247200000 -0.22642185880000 0.48429728320000 -2.00671672660000 2.05875679630000
0.09244998870000 -0.04019681170000 0.02208704770000 -0.04663139960000 0.05862014930000 -0.09548783820000 -0.31440981200000 0.24337264270000 -2.79829338730000 2.74903815580000 -1.81026014860000
0.23084953220000 -0.10114976150000 0.05584949690000 -0.12214824000000 0.18160405890000 -0.26348184510000 0.17437268190000 -2.35647851270000 4.39092045150000 -2.23053910100000 1.37125663930000
0.37855371110000 -0.16222330100000 0.08778813030000 -0.16696336270000 0.15290440560000 -0.20482326060000 -1.62898549330000 4.57649027000000 -3.97545959190000 1.46754769660000 -0.95554254660000
0.35355103600000 -0.10798100570000 0.05422685180000 -0.07922656810000 0.09513349090000 0.16533462770000 4.16154424650000 -4.55181159380000 2.68008053560000 -0.89760345220000 0.62272652230000
0.13233622610000 0.18860348870000 -0.14026747690000 0.44026989760000 -1.02244682620000 1.71555950980000 -4.99253320130000 3.06367974900000 -1.53150506040000 0.52119024380000 -0.37284001070000
0.01365714820000 0.47415141810000 -0.33391301640000 0.59989131830000 0.39207133350000 -3.23709818490000 3.79663731850000 -1.59118139010000 0.77270143260000 -0.27393485060000 0.19740449120000
0.00019665870000 0.40907472990000 -0.06790987620000 -0.92547720760000 1.18129265490000 2.93643845960000 -2.07535504150000 0.68467515460000 -0.33888070720000 0.12365186980000 -0.08911478070000
-0.00004145890000 0.10495999280000 0.60085450770000 -0.38392038820000 -1.82359570800000 -1.81732956510000 0.91462270170000 -0.26189351530000 0.13206357100000 -0.04884702990000 0.03518741070000
-0.00000702130000 0.00153310570000 0.49452805420000 0.86334890150000 1.12906168220000 0.74824369080000 -0.30875700160000 0.08177733910000 -0.04163124890000 0.01545935740000 -0.01113525630000
* f-type functions
6 6
7.37481567
4.02066401
2.27753814
1.21194437
0.58131479
0.25835160
0.16523963050000 -0.08039893460000 0.09737097710000 -0.13058363380000 0.14378561830000 -2.64853279500000
0.23627599280000 -0.21453584000000 0.63723860840000 -1.20982736100000 1.65975861500000 5.10260453230000
0.42346800980000 -0.25329619010000 0.02479374180000 1.56602466520000 -4.00379770300000 -4.72082862140000
0.24139368010000 0.01304371160000 -0.92749755990000 0.15757184220000 4.13775267090000 2.67843277270000
0.14245601860000 0.65099624470000 -0.09165063270000 -1.40009387370000 -2.64444190090000 -1.09308982860000
0.03793728800000 0.39530190820000 0.75469884700000 1.05214843970000 1.06235443920000 0.31584909510000
* g-type functions
5 5
5.55407017
3.73497875
1.87969241
0.85295357
0.37903180
0.07549977920000 -0.17809419470000 0.34094409740000 -0.56345723590000 3.15450154770000
0.17142689510000 -0.34324180020000 0.55769755940000 -0.38862175500000 -4.48258565590000
0.29044398720000 -0.46337081830000 -0.55539055540000 1.71369521570000 2.50896576610000
0.45252108310000 0.31760743640000 -0.66212499540000 -1.76165402780000 -1.17576269300000
0.32509559280000 0.53182192340000 0.85079342910000 0.97098432880000 0.41856240960000
* h-type functions
4 4
5.93471183
3.14667455
1.31823841
0.54392914
0.18161274940000 -0.19884062870000 0.34107836660000 -1.52912834980000
0.46188484090000 -0.47483176010000 0.45830771560000 1.75997255840000
0.43404442680000 0.12657312490000 -1.24121801730000 -0.90987273220000
0.23819968900000 0.79781577800000 0.86954662390000 0.35004900090000
/Cs.ANO-R.Zobel.25s18p12d5f4g2h.15s13p9d5f4g2h.
J.P. Zobel, P.-O. Widmark, V. Veryazov. J. Chem. Theory Comput. 16 (2020) 278-294. doi:10.1021/acs.jctc.9b00873
CAESIUM (25s,18p,12d,5f,4g,2h) -> [15s,13p,9d,5f,4g,2h]
55.0 5
* s-type functions
25 15
53318371.16400000
10622727.42900000
2573506.87760000
727040.80608000
231499.76918000
80860.93964100
30339.50947000
12036.89178900
4992.34446490
2147.55056460
953.09179090
434.85523376
203.43501536
97.32816090
47.45442678
23.45785636
11.66541255
5.77085804
2.79616025
1.29976821
0.56431791
0.22125939
0.07515929
0.02103733
0.00588842
0.00015272440000 -0.00007300540000 0.00004168170000 -0.00001549750000 0.00000449270000 -0.00000105030000 0.00000554300000 -0.00000552910000 0.00000729110000 -0.00000400530000 0.00001716610000 -0.00003393060000 0.00005404080000 -0.00094247070000 0.00080663030000
0.00045006590000 -0.00021522630000 0.00012290790000 -0.00004570080000 0.00001324830000 -0.00000309750000 0.00001635030000 -0.00001635630000 0.00002164590000 -0.00001183830000 0.00004969080000 -0.00010426860000 0.00029691420000 0.00356821920000 -0.00392698220000
0.00107728490000 -0.00051560400000 0.00029456940000 -0.00010955310000 0.00003176190000 -0.00000742410000 0.00003917810000 -0.00003898380000 0.00005124490000 -0.00002825900000 0.00012329320000 -0.00023312290000 0.00006368760000 -0.00820095900000 0.03385661100000
0.00236465180000 -0.00113379740000 0.00064838450000 -0.00024121360000 0.00006992910000 -0.00001635420000 0.00008634680000 -0.00008681790000 0.00011562380000 -0.00006275060000 0.00025363770000 -0.00057887810000 0.00195993680000 0.02307994340000 -0.14703721830000
0.00507448770000 -0.00244100600000 0.00139823330000 -0.00052059850000 0.00015098320000 -0.00003527440000 0.00018606880000 -0.00018340820000 0.00023819800000 -0.00013331350000 0.00062086540000 -0.00099532370000 0.00010792200000 -0.05097834170000 0.40740045650000
0.01083205140000 -0.00523926460000 0.00301002040000 -0.00112167450000 0.00032522670000 -0.00007612190000 0.00040222510000 -0.00041060970000 0.00055694950000 -0.00029551960000 0.00105834060000 -0.00309059100000 0.00905862140000 0.13448828070000 -1.06804699270000
0.02335752590000 -0.01140233130000 0.00658119150000 -0.00245826850000 0.00071359650000 -0.00016652770000 0.00087750350000 -0.00084559290000 0.00106600370000 -0.00061892160000 0.00332096600000 -0.00348578610000 0.00347842990000 -0.34067925060000 2.55184426110000
0.05035029420000 -0.02498032680000 0.01454163350000 -0.00544544700000 0.00157985140000 -0.00037034960000 0.00195999500000 -0.00205707050000 0.00287934660000 -0.00146878260000 0.00404890330000 -0.01854529660000 0.03030970010000 0.87674638560000 -5.44620154520000
0.10556724810000 -0.05402859230000 0.03193719200000 -0.01204740530000 0.00350566020000 -0.00081661930000 0.00429624290000 -0.00399051840000 0.00477835160000 -0.00295659630000 0.01932247900000 -0.00779228250000 0.05608488960000 -1.47843329290000 7.70309292270000
0.20084388500000 -0.10945447390000 0.06671828700000 -0.02542931630000 0.00739968310000 -0.00173903580000 0.00922881400000 -0.01010475500000 0.01478214760000 -0.00713255210000 0.01099796950000 -0.11370512600000 0.03855158620000 2.35808926020000 -6.87902933980000
0.30306431970000 -0.18808756290000 0.12145083860000 -0.04749287100000 0.01393656610000 -0.00323451020000 0.01696794760000 -0.01452949490000 0.01523688420000 -0.01107481750000 0.10215810810000 0.03678646260000 0.62991250820000 -2.38409404340000 1.81431024330000
0.27511389810000 -0.21308066350000 0.15058825530000 -0.06079061380000 0.01786398590000 -0.00424590580000 0.02279712490000 -0.02948901880000 0.04976860590000 -0.01997105030000 -0.06084563470000 -0.56064374380000 -0.60256572240000 4.66654448450000 5.07280394000000
0.10749955160000 -0.02429148210000 0.00296391250000 0.00033737110000 -0.00001403320000 0.00017939420000 -0.00194655650000 0.01947050570000 -0.05395268470000 0.01031943600000 0.33144146560000 1.17674394190000 1.33771285700000 -1.188325019940e1 -9.50249735560000
0.06898977110000 0.35590340070000 -0.44635986570000 0.22944599910000 -0.07215478450000 0.01648447770000 -0.08580783460000 0.04459023190000 0.00898791550000 0.04301901820000 -1.15527641570000 -1.89723149030000 -7.67371273220000 18.69164903400000 10.17921837370000
0.06958695060000 0.36221148940000 -0.67012108020000 0.39416097250000 -0.12694011720000 0.03088579570000 -0.17066952200000 0.27758137580000 -0.53624320530000 0.18381542400000 1.42480028670000 7.32269544250000 15.70734133310000 -2.005056803950e1 -8.52725813390000
0.02127097390000 0.14875160650000 0.05530931330000 -0.07218966560000 0.02353259630000 -0.00791683460000 0.05776175310000 -0.29995857820000 0.78157078530000 -0.18539809540000 -3.91689511300000 -1.637773616840e1 -1.816292487840e1 16.60962821110000 6.20434564910000
0.02073398850000 0.22234815700000 0.74094643800000 -0.99904854950000 0.41323099270000 -0.09394320980000 0.51313943850000 -0.10115947350000 -0.58408745460000 -0.16843571620000 11.29329578730000 20.49700265830000 14.77481868150000 -1.149005929390e1 -4.08949523960000
0.00692802820000 0.08119151720000 0.28330496070000 -0.41355461160000 0.16311470180000 -0.04859793060000 0.25006092680000 -1.09178258430000 2.83586005100000 -0.81829699670000 -1.756940001880e1 -1.685193828830e1 -9.48528684340000 6.94697463350000 2.46115017610000
0.00167370790000 0.01916013480000 0.11306313600000 0.96886863460000 -0.61336891520000 0.17185920870000 -1.10992351810000 3.23427414040000 -7.38388188190000 3.43801124700000 16.42167889720000 10.24287991740000 5.13117536520000 -3.74131956460000 -1.33936162030000
0.00058863080000 0.00924426570000 0.06174148600000 0.53702137620000 -0.65924399130000 0.15059737730000 -0.95181689620000 -2.63414496720000 9.39108680080000 -5.28207388990000 -1.045207874690e1 -5.01693201700000 -2.43008218450000 1.79912605970000 0.65087206020000
0.00004351330000 -0.00002964790000 -0.00094084290000 0.00408597950000 0.66030164510000 -0.16631937610000 3.26174797350000 -0.62667579500000 -7.23892116710000 5.11370549460000 5.06723219100000 2.11706049000000 1.02799479770000 -0.77199582590000 -0.28104748120000
-0.00000864100000 0.00012710290000 0.00119802110000 0.00724319730000 0.78085915430000 -0.43784010650000 -1.90508493750000 2.96961685570000 3.83419715330000 -4.01163007860000 -2.07785924300000 -0.80965431880000 -0.39357595020000 0.29772754070000 0.10869522270000
0.00000322070000 -0.00004336940000 -0.00041075730000 -0.00228928630000 0.03209676800000 0.04507243660000 -0.46230589600000 -2.78452168380000 -1.23969978400000 3.04806553020000 0.80009228940000 0.29291257460000 0.13918369940000 -0.10541735930000 -0.03852146540000
-0.00000110680000 0.00001499870000 0.00014243150000 0.00080142280000 0.00261249160000 1.03271654020000 0.55647067450000 1.01870020110000 -0.39729144070000 -2.52862309890000 -0.33522816910000 -0.10940367590000 -0.04808019620000 0.03623170480000 0.01323743770000
0.00000032350000 -0.00000440980000 -0.00004190260000 -0.00023742940000 -0.00084911060000 0.05388328790000 0.02142213780000 0.14515272220000 0.77558511590000 1.59851106080000 0.13366828970000 0.03750163710000 0.01426597060000 -0.01061661210000 -0.00387485780000
* p-type functions
18 13
416370.37799000
68775.13247300
15894.14261100
4713.43059280
1673.90471820
674.54677715
296.07787912
137.34214128
65.88696320
32.19031696
15.83752195
7.77323888
3.76904974
1.78328525
0.80933963
0.34393540
0.13236213
0.05093902
0.00009181840000 -0.00004909370000 0.00002156080000 -0.00000675530000 0.00000207190000 -0.00000906570000 0.00001260480000 -0.00001829090000 0.00003570800000 -0.00007657860000 0.00027159830000 -0.00401486830000 0.00663099360000
0.00040927430000 -0.00021934950000 0.00009645990000 -0.00003023680000 0.00000935310000 -0.00004104600000 0.00005560910000 -0.00007139180000 0.00019779250000 -0.00023250510000 0.00031956730000 0.01405227640000 -0.01311771020000
0.00182402080000 -0.00098018790000 0.00043089450000 -0.00013499450000 0.00004108090000 -0.00017917350000 0.00025560440000 -0.00041089660000 0.00055510960000 -0.00211360890000 0.00446319510000 -0.07467313850000 0.05020363110000
0.00740751710000 -0.00400851640000 0.00176927680000 -0.00055516410000 0.00017312140000 -0.00076265250000 0.00100567300000 -0.00111492830000 0.00435679750000 -0.00185272380000 0.01137996310000 0.15102503330000 -0.48001056180000
0.02698319870000 -0.01476180850000 0.00652155860000 -0.00204445880000 0.00061738670000 -0.00268321630000 0.00393385570000 -0.00693744750000 0.00604709670000 -0.04166379230000 0.07372311470000 -0.84119300670000 0.75847984720000
0.08406730890000 -0.04722537190000 0.02110381260000 -0.00663971930000 0.00208583820000 -0.00922638050000 0.01187702500000 -0.01122489140000 0.06068868940000 0.00198664060000 0.21391692410000 0.92793045360000 -3.28748659460000
0.20631555790000 -0.12071497560000 0.05441251820000 -0.01711792430000 0.00511722380000 -0.02215446190000 0.03375476210000 -0.06631098770000 0.02669618940000 -0.46256484340000 0.27310282220000 -3.13608946080000 6.06407847380000
0.35578803310000 -0.22135319390000 0.10246373640000 -0.03249275360000 0.01043230430000 -0.04659690730000 0.05574585540000 -0.02379262040000 0.39424210980000 0.42147181820000 1.54962575400000 6.56757699200000 -6.85700761590000
0.34053714410000 -0.19130109160000 0.08314480670000 -0.02580496890000 0.00677841230000 -0.02742895960000 0.06074622040000 -0.22927268790000 -0.42925361550000 -2.02038809670000 -5.45001363980000 -7.98387655420000 5.92510841290000
0.13672196920000 0.16641897550000 -0.12359759100000 0.04222114440000 -0.01027558960000 0.04127061090000 -0.12189564900000 0.53788190550000 0.92516623450000 6.19117847490000 7.25169034210000 6.89872712670000 -4.36666303530000
0.04041428160000 0.56090656740000 -0.42876232000000 0.15169972460000 -0.05336461880000 0.25200220940000 -0.24036252950000 -0.42767129330000 -4.22544441960000 -8.72138261070000 -6.15936361440000 -4.83332949370000 2.90796706820000
0.01911173380000 0.35007166700000 -0.19485551830000 0.05649490450000 -0.00375544500000 -0.01670430160000 -0.19238282430000 1.84439948070000 7.68314825080000 7.58992712770000 4.07015171730000 2.99125977230000 -1.79794246720000
0.00204584280000 0.05320353170000 0.55436208150000 -0.26368114980000 0.05687059660000 -0.24601401660000 1.02835651940000 -5.06512827250000 -7.57262673170000 -4.87249067280000 -2.32400013060000 -1.70454594520000 1.03723396640000
0.00066241610000 0.02202693000000 0.56804084390000 -0.32688902700000 0.15909470300000 -0.84607663260000 0.16301291180000 6.73186747440000 4.96892840410000 2.57714320810000 1.20481615900000 0.89910674600000 -0.55320773870000
-0.00005988300000 0.00124928870000 0.10060395050000 0.17425255620000 -0.17227814930000 1.42019108580000 -2.62584435260000 -5.50199732680000 -2.50055922700000 -1.20241755660000 -0.57281776960000 -0.43382630280000 0.26880147790000
0.00005804650000 0.00088275300000 0.00184212660000 0.67962913300000 -0.05762709460000 0.34030629390000 3.44534227920000 3.28076632490000 1.06648253280000 0.51006400290000 0.24772653140000 0.18912009360000 -0.11762013630000
-0.00002314670000 -0.00033671610000 0.00036495990000 0.34336774270000 -0.67990466810000 -1.67446204150000 -2.45360774120000 -1.58356473830000 -0.41241900090000 -0.19940326550000 -0.09777765880000 -0.07490098890000 0.04666640270000
0.00000712390000 0.00010479190000 -0.00007360990000 0.00211131440000 1.39561268340000 0.85197095080000 0.90632962130000 0.51545018570000 0.12367997530000 0.06023547730000 0.02962825230000 0.02272267920000 -0.01416663970000
* d-type functions
12 9
2587.87966500
734.93837570
272.16247601
117.24158743
54.66959744
26.48041928
13.03564501
6.43181046
3.12595043
1.44898943
0.60414423
0.25189297
0.00050422230000 -0.00022474420000 0.00009071110000 -0.00009135630000 0.00004319550000 -0.00076226010000 0.00046244530000 -0.00450650750000 0.00796774370000
0.00435837510000 -0.00195901160000 0.00078401840000 -0.00098241820000 -0.00226561120000 -0.00014098670000 0.01445177610000 0.00617774230000 0.08083938210000
0.02381005630000 -0.01073463200000 0.00433413450000 -0.00443805630000 0.00087799720000 -0.03253873230000 0.03212739160000 -0.26968876020000 0.55645254590000
0.08693941560000 -0.03989632950000 0.01598640730000 -0.01994585870000 -0.04557625100000 -0.00685658570000 0.32023548680000 0.08086515780000 1.06082483480000
0.22097744510000 -0.10237601350000 0.04154960240000 -0.04147533920000 0.02494882470000 -0.36917108310000 0.15288135480000 -1.94650585610000 -2.97552972870000
0.37090680080000 -0.16849027510000 0.06777892780000 -0.09506363080000 -0.31170376060000 0.22090957310000 1.21471186850000 4.34508282090000 3.32186344220000
0.35935651670000 -0.12264295430000 0.05041799410000 -0.02784973650000 0.41375868020000 -1.33845729670000 -3.56104152970000 -4.74120801030000 -2.51268969950000
0.14506735290000 0.17321816050000 -0.09199289190000 0.03654579450000 -0.95247011050000 3.64967064660000 3.77366611960000 3.43219038730000 1.51715553570000
0.02135758450000 0.47365865010000 -0.23291306200000 0.47251932540000 2.67535056520000 -3.74773896130000 -2.38361370190000 -1.86793040440000 -0.77925891290000
0.00498022130000 0.41498166910000 -0.23759515430000 0.08967079230000 -3.42217305460000 1.98638663780000 1.09788280970000 0.81748771390000 0.34413146660000
0.00115990170000 0.10799334930000 0.57088824580000 -1.52616605730000 2.35421385810000 -0.73591987720000 -0.42052320100000 -0.31194964000000 -0.13466834320000
0.00002223400000 0.00225907950000 0.59564501290000 1.34894455860000 -0.94236504120000 0.21607060720000 0.12758431390000 0.09606898970000 0.04204329130000
* f-type functions
5 5
1.55121427
1.17608866
0.79815063
0.40327426
0.18608174
0.09356863410000 -0.64831090570000 0.35959745060000 -6.17354531040000 7.31385573830000
-0.21548335610000 0.99531651380000 -0.23866470470000 14.26140790920000 -1.092684294290e1
0.62560723530000 0.64669967010000 -1.52595200090000 -1.089773049330e1 5.09161343870000
0.49113590110000 -0.60002397760000 2.47001914490000 3.86162828030000 -1.03525230920000
0.09535536090000 -0.58286321840000 -1.62380486150000 -1.03957257740000 0.20176473600000
* g-type functions
4 4
1.71443220
1.04706312
0.53953150
0.25631890
0.10893319730000 -0.10515319560000 1.23187015000000 -2.19304571120000
-0.39806225580000 0.40600528020000 -3.06247130410000 2.07270397130000
-0.63541675330000 0.56460103540000 2.69926608780000 -0.66606323110000
-0.14811382770000 -1.21928405170000 -1.14327678910000 0.11493152920000
* h-type functions
2 2
0.79686867
0.40297923
0.78575200080000 -1.13708591860000
0.28026656250000 1.35344791070000
/Ba.ANO-R.Zobel.24s18p12d6f4g2h.17s14p11d6f4g2h.
J.P. Zobel, P.-O. Widmark, V. Veryazov. J. Chem. Theory Comput. 16 (2020) 278-294. doi:10.1021/acs.jctc.9b00873
BARIUM (24s,18p,12d,6f,4g,2h) -> [17s,14p,11d,6f,4g,2h]
56.0 5
* s-type functions
24 17
45942451.98300000
8647154.84810000
1985217.20010000
534435.69979000
163305.25423000
55162.71394700
20169.02361200
7851.81708290
3213.84174040
1369.97058160
603.81679575
273.62945187
126.87994148
59.91383544
28.65432096
13.78385113
6.60832478
3.11946583
1.42705310
0.61989751
0.24922101
0.08984343
0.02794693
0.00869324
0.00019031000000 -0.00010175730000 0.00005238680000 -0.00002072330000 0.00000638580000 -0.00000136160000 0.00000148300000 -0.00000626070000 0.00000511760000 -0.00001298580000 0.00003102430000 -0.00007430900000 0.00011050860000 -0.00012159370000 0.00005547050000 -0.00096817070000 0.00540527130000
0.00056293830000 -0.00030114650000 0.00015507620000 -0.00006135680000 0.00001890870000 -0.00000403140000 0.00000439080000 -0.00001854000000 0.00001514310000 -0.00003825900000 0.00009251330000 -0.00021660190000 0.00033273730000 -0.00033481740000 -0.00012012120000 0.00248487830000 -0.00572741340000
0.00140088070000 -0.00075014720000 0.00038650300000 -0.00015294290000 0.00004713050000 -0.00001005070000 0.00001094680000 -0.00004620320000 0.00003779320000 -0.00009628610000 0.00022755600000 -0.00055660590000 0.00080408300000 -0.00093311000000 0.00133717530000 -0.02604694710000 -0.01359672800000
0.00319393840000 -0.00171431750000 0.00088436690000 -0.00035023640000 0.00010797080000 -0.00002301430000 0.00002506680000 -0.00010588740000 0.00008636370000 -0.00021639140000 0.00053544330000 -0.00120161160000 0.00196344800000 -0.00178700390000 0.00026355300000 0.07343038130000 0.06984213340000
0.00713244050000 -0.00384316880000 0.00198685480000 -0.00078727230000 0.00024264180000 -0.00005176720000 0.00005638160000 -0.00023779550000 0.00019505160000 -0.00050455130000 0.00114347100000 -0.00303102630000 0.00392131030000 -0.00525722150000 -0.00189047100000 -0.25021920680000 -0.02882215710000
0.01582398230000 -0.00858998480000 0.00445794200000 -0.00177105730000 0.00054657870000 -0.00011642320000 0.00012681100000 -0.00053634670000 0.00043548630000 -0.00106352460000 0.00282148250000 -0.00552948310000 0.01087661470000 -0.00683713600000 0.02234043700000 0.64004156340000 -0.00264969590000
0.03517830470000 -0.01932006480000 0.01009085830000 -0.00401503880000 0.00123820790000 -0.00026445170000 0.00028802250000 -0.00121272200000 0.00100156370000 -0.00268211060000 0.00549906280000 -0.01752480160000 0.01752653910000 -0.03225964050000 -0.08356177640000 -1.39446231290000 0.34026426590000
0.07680507460000 -0.04319811010000 0.02283576220000 -0.00915639030000 0.00283406560000 -0.00060288200000 0.00065670640000 -0.00278407120000 0.00224073620000 -0.00520374660000 0.01574188660000 -0.02331196040000 0.06560827930000 -0.01113377130000 0.25542054980000 1.32950694200000 2.48464888810000
0.15675124420000 -0.09219696200000 0.04988184630000 -0.02014833160000 0.00623273180000 -0.00133364020000 0.00145259300000 -0.00609980930000 0.00509871220000 -0.01442810050000 0.02501143290000 -0.10784680350000 0.07384149780000 -0.24173958240000 -0.78653909700000 -4.05041610890000 -6.63400356370000
0.26860520050000 -0.17455253550000 0.09895011170000 -0.04100125830000 0.01281214970000 -0.00271924620000 0.00296245570000 -0.01261666590000 0.00999042630000 -0.02096208780000 0.08177418440000 -0.07743004890000 0.43494512630000 -0.39673981730000 4.78252952140000 7.60404730260000 8.40809925060000
0.30810686340000 -0.24212272360000 0.14909913840000 -0.06353658880000 0.01988849560000 -0.00428080720000 0.00466397080000 -0.01942874320000 0.01685860530000 -0.05537192020000 0.05639117460000 -0.57645186110000 0.18926509740000 -1.07216390550000 -1.115253493210e1 -7.94590259850000 -7.91514186300000
0.16217657920000 -0.13402651190000 0.08595236310000 -0.03867243080000 0.01255074100000 -0.00257730360000 0.00280688880000 -0.01260908840000 0.00772895470000 0.01410911400000 0.15677490820000 1.06523565650000 -0.40337405640000 7.23545567080000 14.94079098180000 6.28381101290000 6.49509983780000
0.07906419290000 0.26646023530000 -0.28803716240000 0.15504074060000 -0.05256469360000 0.01098073740000 -0.01198614920000 0.05293161400000 -0.03727773930000 0.01174238240000 -0.66150798600000 -0.80485828490000 -4.48328068200000 -1.359958917550e1 -1.473147109870e1 -4.55096325190000 -4.96164256310000
0.10946582400000 0.45931187430000 -0.69717770050000 0.41480752020000 -0.14326665300000 0.03137007740000 -0.03426517080000 0.14109078020000 -0.13356023940000 0.56199510020000 0.10596221330000 4.53660358490000 11.51980169620000 15.52310826760000 12.12846186660000 3.23275349470000 3.62396679040000
0.03817360640000 0.18227523290000 -0.17002418380000 0.11531448320000 -0.04598843020000 0.00840475820000 -0.00913847950000 0.04970814080000 -0.00078779450000 -0.51722261200000 -1.71441293850000 -1.177068473630e1 -1.480000531190e1 -1.316115608830e1 -8.86304719770000 -2.25210302320000 -2.54380285530000
0.01526977350000 0.19552337590000 0.75219136120000 -0.95512820020000 0.42699217800000 -0.08990656490000 0.09948812630000 -0.46592400790000 0.32935697110000 0.10855941880000 8.17372903210000 15.65555453290000 13.24495038220000 9.22171746410000 5.92359478610000 1.50696912540000 1.70088337150000
0.00617131290000 0.09685262770000 0.37452981110000 -0.62414212810000 0.29071602790000 -0.07160064790000 0.07761288330000 -0.26779886550000 0.35959893450000 -2.94023466280000 -1.392399098300e1 -1.378572745290e1 -9.33081550090000 -5.70054401140000 -3.66182467050000 -0.94692696480000 -1.06609359550000
0.00018887200000 0.00806082330000 0.11587199890000 0.97652694230000 -0.69332657630000 0.17520413080000 -0.19985896050000 0.85269098310000 -1.20070190040000 8.49465918190000 13.53096778620000 9.19102938240000 5.52528135850000 3.20422613680000 2.08698604840000 0.54799581360000 0.61570486330000
-0.00015412780000 0.00656939690000 0.07550262230000 0.58632608580000 -0.79945746720000 0.17802458890000 -0.20466805470000 1.19276133460000 -0.24578091530000 -1.105109647390e1 -9.04650569490000 -5.00778283820000 -2.86091390890000 -1.64689656020000 -1.08593435000000 -0.28793808260000 -0.32313413400000
0.00003082400000 -0.00095426410000 -0.00423959190000 -0.00156726260000 0.89642732540000 -0.20808663040000 0.34511098220000 -3.46183520340000 3.33063801080000 8.77373718730000 4.68964343610000 2.35164367860000 1.32632836470000 0.77065229940000 0.51179885710000 0.13638581690000 0.15297291940000
-0.00001578120000 0.00044539960000 0.00251565700000 0.00751734620000 0.69437859500000 -0.50252856870000 0.41337954340000 2.16627552530000 -5.10403464690000 -5.02896098440000 -2.05017275900000 -0.98877859280000 -0.55848926770000 -0.32767390190000 -0.21833073120000 -0.05831019420000 -0.06538751580000
0.00000626610000 -0.00017590710000 -0.00102084020000 -0.00326661990000 -0.01232223780000 0.20536266050000 -0.54882517640000 0.66649931890000 4.57174940210000 2.34632320220000 0.80059478810000 0.38148313630000 0.21614252920000 0.12749886060000 0.08506312740000 0.02273771870000 0.02549547700000
-0.00000214820000 0.00006550610000 0.00038124350000 0.00129088710000 -0.01075144470000 0.92436956020000 -0.99524446820000 -1.48017632080000 -2.83448552570000 -0.97189445880000 -0.29351666880000 -0.13917949150000 -0.07894791700000 -0.04666221540000 -0.03114519560000 -0.00832773510000 -0.00933752830000
0.00000067530000 -0.00001867320000 -0.00010758250000 -0.00033118680000 -0.00489563220000 0.10431770860000 1.47184766770000 0.77980839690000 1.06975706390000 0.30338874350000 0.08558018750000 0.04045858310000 0.02294758870000 0.01356882510000 0.00905769470000 0.00242208320000 0.00271575890000
* p-type functions
18 14
473444.91227000
77879.24859600
17889.20875700
5270.48239020
1860.50488480
746.09653826
326.36933291
151.11811275
72.47835339
35.45669077
17.49417806
8.62519597
4.20957551
2.01014500
0.92415962
0.39991228
0.15786229
0.06231492
0.00008644180000 -0.00005115210000 0.00001977990000 -0.00000690860000 0.00000521790000 -0.00000731250000 0.00001212850000 -0.00002234600000 0.00004344010000 -0.00017662230000 0.00011801120000 -0.00018266500000 0.00027336180000 -0.00396167070000
0.00038030650000 -0.00022557250000 0.00008735920000 -0.00003052880000 0.00002323770000 -0.00003278370000 0.00005334390000 -0.00009146770000 0.00022135890000 -0.00071629520000 0.00068696630000 -0.00034807350000 -0.00643503870000 0.01052430260000
0.00167132820000 -0.00099366050000 0.00038473310000 -0.00013434240000 0.00010068860000 -0.00014016180000 0.00023716690000 -0.00046683830000 0.00072199790000 -0.00379178400000 0.00169440190000 -0.00591633570000 0.01371286470000 -0.10632494200000
0.00672052790000 -0.00402269540000 0.00156475110000 -0.00054735660000 0.00042015820000 -0.00059710520000 0.00095134460000 -0.00150101330000 0.00455010620000 -0.01147328030000 0.01525083170000 0.00134113870000 -0.16283195180000 0.18463782430000
0.02442404410000 -0.01476159380000 0.00574982250000 -0.00200821040000 0.00149285200000 -0.00206295110000 0.00357093180000 -0.00751278160000 0.00897633900000 -0.06369971910000 0.01798679330000 -0.12894305770000 0.25103802160000 -2.38575388240000
0.07655209950000 -0.04743055030000 0.01872116260000 -0.00656300450000 0.00507803660000 -0.00726657610000 0.01136296270000 -0.01658960710000 0.06297944160000 -0.16979797400000 0.26834358130000 0.07820713090000 -2.78996998250000 4.02967743790000
0.19086098800000 -0.12278580070000 0.04899309480000 -0.01715060760000 0.01262204270000 -0.01729036930000 0.03088534460000 -0.07024477120000 0.06467012560000 -0.89187023310000 0.39526866450000 -2.26873014450000 5.53617725110000 -4.20481535700000
0.33856958620000 -0.23122955790000 0.09516614130000 -0.03358129470000 0.02653848080000 -0.03864832510000 0.05744478750000 -0.06412883230000 0.38243435440000 0.56795749250000 0.21389999610000 6.39435092000000 -6.25361588040000 3.59897873000000
0.34240105870000 -0.21891444770000 0.08556393050000 -0.02966265350000 0.01956062760000 -0.02388793910000 0.05675195180000 -0.20902413980000 -0.34346573650000 -0.15097185400000 -3.87984790720000 -9.05730923320000 5.33345694620000 -2.77140797450000
0.15587124310000 0.12767313330000 -0.09921697490000 0.03696157760000 -0.02116809390000 0.02180325750000 -0.08619687950000 0.46898755330000 0.60908354500000 2.55544793290000 7.94826798280000 8.57733436880000 -3.89663471780000 1.98594873300000
0.06341441190000 0.55859434280000 -0.40598869720000 0.15694892410000 -0.13734818210000 0.21682851090000 -0.27899288010000 -0.08285139820000 -3.80900615330000 -5.15472263420000 -9.12018681270000 -6.28682156060000 2.59814860520000 -1.34148967940000
0.03515223220000 0.38674394990000 -0.23236622840000 0.07873158620000 -0.02534952600000 -0.01035193770000 -0.15165237090000 1.38213175300000 7.52217264230000 5.32627898540000 7.37457842860000 3.94853595660000 -1.62298796410000 0.85411675970000
0.00375430950000 0.04746713530000 0.52102806560000 -0.26116220660000 0.14383735930000 -0.14440654890000 0.82146291580000 -4.80893954500000 -7.90173807740000 -3.81571455080000 -4.71918620880000 -2.25947778700000 0.95136844290000 -0.50787752000000
0.00039598720000 0.00564296240000 0.60312456400000 -0.36979567240000 0.46137837870000 -0.86823648050000 0.61826227200000 6.67705596990000 5.59137819750000 2.16545852550000 2.56782185450000 1.20177096060000 -0.51696994040000 0.27812892690000
-0.00025022060000 -0.00178631600000 0.11701603820000 0.16637891820000 -0.50843959710000 1.41492734500000 -3.14154973460000 -5.49310960670000 -3.05287962170000 -1.05220141010000 -1.23949412450000 -0.58866359480000 0.25608937370000 -0.13822972400000
0.00010492280000 0.00089404260000 -0.00217155810000 0.70460205880000 -0.57386027140000 0.14575411720000 3.83596876370000 3.26231616870000 1.40143427440000 0.45624322470000 0.53976921920000 0.26098902860000 -0.11403431700000 0.06162359810000
-0.00004286580000 -0.00036878740000 -0.00035052990000 0.32703428720000 0.39627695170000 -1.79145331740000 -2.74304182140000 -1.57499162570000 -0.57125255470000 -0.18002361990000 -0.21368811280000 -0.10437382600000 0.04566272270000 -0.02468457050000
0.00001329670000 0.00011536930000 -0.00025475240000 0.00683023110000 0.77381774160000 1.40473011880000 1.10673518280000 0.52467806600000 0.17439542720000 0.05396940700000 0.06411581040000 0.03143072750000 -0.01375405550000 0.00743591670000
* d-type functions
12 11
2818.48507470
798.44584612
295.02794363
126.98008277
59.25012764
28.75653779
14.20045033
7.03799574
3.44433056
1.61543170
0.68760082
0.29267402
0.00047294880000 -0.00021666470000 0.00007713050000 -0.00011521540000 0.00008202460000 -0.00081028540000 0.00036736570000 -0.00473264000000 0.00262412170000 -0.02963392390000 0.04662702400000
0.00406889410000 -0.00187843390000 0.00069224200000 -0.00080865740000 0.00253255850000 -0.00282007590000 0.01638810010000 -0.01364714250000 0.07425618580000 -0.10156690680000 1.53001286360000
0.02239813130000 -0.01037776120000 0.00371299470000 -0.00543745060000 0.00484340160000 -0.03796631810000 0.03904511410000 -0.29099065850000 0.41788127470000 -1.69101451850000 -2.22281151000000
0.08261918310000 -0.03893199150000 0.01439222350000 -0.01686151530000 0.05236318840000 -0.06504129450000 0.35726577560000 -0.37374001240000 1.16872092470000 3.44471563340000 2.27623121350000
0.21325961280000 -0.10163273310000 0.03638776980000 -0.05473696080000 0.03555751480000 -0.39206672830000 -0.02814136290000 -0.96851967910000 -3.52681062580000 -3.93903274970000 -1.94520474140000
0.36532210380000 -0.17100426820000 0.06411946910000 -0.06681525350000 0.30657589860000 -0.00000980420000 1.36958328360000 3.30651006070000 4.40890496760000 3.32137244030000 1.45334023810000
0.36516182770000 -0.13267622980000 0.04053003260000 -0.09903580070000 -0.26085871970000 -0.64321486390000 -3.91944460110000 -4.02070783330000 -3.62865224650000 -2.31122480080000 -0.97810841010000
0.15473882180000 0.16196707080000 -0.06901228060000 0.19984854740000 0.49789065140000 2.97460500570000 4.64337138060000 3.06844666460000 2.29602980930000 1.40187313480000 0.59740280560000
0.02361943650000 0.47579009610000 -0.23195384170000 0.12807081400000 -2.29097574500000 -3.66453337260000 -3.32705076210000 -1.72959652340000 -1.20278191770000 -0.74709474500000 -0.32422672950000
0.00516139390000 0.42325440250000 -0.13169301940000 0.61197004800000 3.24138396640000 2.30452925060000 1.66176033610000 0.77814884500000 0.53665777610000 0.34320100420000 0.15125751550000
0.00107010530000 0.10169614420000 0.26972113970000 -1.95805508750000 -2.15859738850000 -0.98425907290000 -0.65786612520000 -0.30186231260000 -0.21138064060000 -0.13776995120000 -0.06126761600000
0.00000573940000 0.00039906260000 0.81876424790000 1.39835817540000 0.76716844450000 0.30250103670000 0.19946607680000 0.09238758980000 0.06546859680000 0.04295303410000 0.01916864140000
* f-type functions
6 6
2.27430560
1.30648849
0.85923566
0.44468762
0.16441387
0.07485925
0.04660355120000 -0.03843815790000 0.10745396880000 -0.10641701570000 1.87398846240000 -2.75654723460000
-0.03542674370000 -0.08592053520000 -0.16429393820000 -1.12260042540000 -1.52851802360000 8.06338265830000
0.40453269130000 1.00569355720000 -0.95705841610000 0.55724956570000 -0.46719244200000 -8.09892974720000
0.56492534970000 -0.41694830760000 1.10828805320000 0.97516430910000 1.17284906850000 3.48507007580000
0.17080364850000 -0.60526272580000 0.10843488670000 -1.49618177500000 -0.98407327790000 -1.40864659820000
-0.01482821330000 -0.21598265960000 -0.90707955080000 1.05989055420000 0.57445783060000 0.62644970420000
* g-type functions
4 4
1.12083133
0.54465252
0.23941779
0.09719342
0.29725045510000 -0.60994523520000 0.81048308440000 -1.17246105240000
0.71887910130000 0.08453405490000 -0.55496213800000 1.89327295590000
0.07708943280000 0.54062189280000 -0.49721182180000 -1.70749611890000
0.01976278920000 0.45750179510000 0.96178906860000 0.80377404750000
* h-type functions
2 2
1.21284040
0.64458826
0.29635854040000 -1.42498548560000
0.76371653040000 1.23901133160000
/La.ANO-R.Zobel.25s18p14d6f4g3h.16s14p13d6f4g3h.
J.P. Zobel, P.-O. Widmark, V. Veryazov. J. Chem. Theory Comput. 16 (2020) 278-294. doi:10.1021/acs.jctc.9b00873
LANTHANUM (25s,18p,14d,6f,4g,3h) -> [16s,14p,13d,6f,4g,3h]
57.0 5
* s-type functions
25 16
59549903.80000000
14287546.44600000
3915925.23420000
1197112.36020000
400236.36587000
144029.91548000
55082.87578300
22164.76878200
9311.36332580
4059.14857040
1827.37552110
846.06709141
401.30628870
194.19180041
95.39407691
47.27647642
23.44917130
11.52140921
5.53490838
2.55770114
1.11427175
0.44662743
0.15997383
0.04947049
0.01529831
0.00013707500000 -0.00007704680000 0.00004403330000 -0.00001576130000 0.00000486920000 -0.00000121550000 0.00000433100000 -0.00000378660000 0.00000712610000 -0.00001797450000 0.00003420690000 -0.00009015440000 0.00007231050000 -0.00008733030000 0.00196836570000 -0.00298840810000
0.00035659060000 -0.00020049820000 0.00011460530000 -0.00004102730000 0.00001267190000 -0.00000316360000 0.00001125350000 -0.00000981760000 0.00001852880000 -0.00004712870000 0.00008678880000 -0.00023878980000 0.00016717780000 -0.00020206960000 -0.00582928400000 -0.00303796020000
0.00081883210000 -0.00046065770000 0.00026342330000 -0.00009431690000 0.00002914480000 -0.00000727510000 0.00002595210000 -0.00002272490000 0.00004268470000 -0.00010703480000 0.00020838880000 -0.00053309780000 0.00046551070000 -0.00050961950000 0.01937464480000 0.04167394810000
0.00170124050000 -0.00095829950000 0.00054833990000 -0.00019642230000 0.00006065730000 -0.00001514480000 0.00005375800000 -0.00004676400000 0.00008858130000 -0.00022780680000 0.00040183200000 -0.00117105740000 0.00067340280000 -0.00118317220000 -0.05502218790000 -0.13721425560000
0.00350229380000 -0.00197721700000 0.00113316090000 -0.00040617010000 0.00012561680000 -0.00003135100000 0.00011226670000 -0.00009880370000 0.00018440340000 -0.00045343640000 0.00095046830000 -0.00220891610000 0.00247225490000 -0.00125405310000 0.12308770180000 0.33026831470000
0.00712569370000 -0.00403836870000 0.00231881760000 -0.00083236450000 0.00025692140000 -0.00006416830000 0.00022633060000 -0.00019522130000 0.00037389450000 -0.00099260560000 0.00153255580000 -0.00529825100000 0.00132744530000 -0.00805877770000 -0.22472138010000 -0.67611197060000
0.01467266500000 -0.00836711200000 0.00482539730000 -0.00173502400000 0.00053775970000 -0.00013415030000 0.00048491580000 -0.00043189980000 0.00079365520000 -0.00185874840000 0.00461803670000 -0.00857753010000 0.01517179100000 0.00452456600000 0.49535056140000 1.51782377900000
0.03037588580000 -0.01750418170000 0.01014717230000 -0.00366292900000 0.00112989000000 -0.00028240010000 0.00098312400000 -0.00083318390000 0.00163361900000 -0.00461551080000 0.00523062570000 -0.02624834070000 -0.00736835220000 -0.05695544820000 -1.02424162380000 -3.59397524810000
0.06243613130000 -0.03663901660000 0.02149765570000 -0.00779768780000 0.00242787810000 -0.00060515560000 0.00222299130000 -0.00201926540000 0.00361506170000 -0.00775994780000 0.02518038460000 -0.03253734190000 0.10236268400000 0.08905813090000 1.98434397410000 8.63040643020000
0.12259746870000 -0.07450186150000 0.04450134320000 -0.01633656940000 0.00504346180000 -0.00126211240000 0.00430142170000 -0.00353940760000 0.00722408620000 -0.02245569720000 0.01293170050000 -0.14066297090000 -0.11592173080000 -0.41510286860000 -3.14156487830000 -1.355393112970e1
0.21323045760000 -0.13885460160000 0.08635111470000 -0.03226273490000 0.01015988660000 -0.00252887080000 0.00954620210000 -0.00894819600000 0.01536233000000 -0.02817486990000 0.13865448010000 -0.11831634080000 0.79616386890000 0.29443455470000 8.00811835980000 14.45174652480000
0.28313966690000 -0.21177498700000 0.14045719200000 -0.05452758590000 0.01693200520000 -0.00425067100000 0.01373745780000 -0.01042555590000 0.02374396970000 -0.09171332350000 -0.02997501760000 -0.77803326410000 -0.77578497060000 -3.51564751140000 -1.530455637010e1 -1.208595640000e1
0.21757223900000 -0.19809661260000 0.14508896200000 -0.05853659170000 0.01924659830000 -0.00475347440000 0.02055421750000 -0.02201903600000 0.03135796210000 -0.00296732020000 0.53888815740000 0.67491939810000 1.84464762100000 11.81899668720000 18.93398123430000 9.00557429770000
0.08774765840000 0.02786776420000 -0.05549058250000 0.02838903910000 -0.01105670160000 0.00263170100000 -0.01825535160000 0.02587948440000 -0.02450800570000 -0.09452054900000 -1.39669275070000 1.07689073850000 -8.48119167410000 -1.901231283800e1 -1.745666968470e1 -6.47628172720000
0.10690957310000 0.36035114300000 -0.51031863830000 0.27740740310000 -0.09214323310000 0.02341960770000 -0.06396239890000 0.03402692920000 -0.12533315980000 0.75779058210000 1.92100851950000 2.05554253670000 17.76491258110000 20.27119477050000 13.37724334190000 4.60674888630000
0.09440377730000 0.29301123730000 -0.63803857970000 0.39505076320000 -0.15043995390000 0.03716373110000 -0.17817715110000 0.20639954970000 -0.26985710850000 -0.25369119380000 -6.28212189060000 -9.00532939870000 -2.224797907200e1 -1.665515009860e1 -9.09956209720000 -3.19826378310000
0.02799445350000 0.16288333250000 0.19452870990000 -0.20407076810000 0.09968963390000 -0.02388164740000 0.18101935570000 -0.26515690390000 0.28267829040000 0.79819295800000 14.27222503060000 12.32036794340000 19.50922107810000 11.46567928900000 5.71627345410000 2.10939293560000
0.02329110430000 0.24756405340000 0.72225407130000 -1.14115611450000 0.50759507840000 -0.13354142640000 0.32823510760000 -0.11382997850000 0.76904303310000 -6.01350814740000 -1.817083410960e1 -1.038271172430e1 -1.320984454640e1 -6.93852817010000 -3.36520087200000 -1.29001023890000
0.00563900230000 0.06537603840000 0.21373685940000 -0.05885124470000 0.05314603810000 -0.00852426520000 0.30899028490000 -0.58415970630000 -0.03876262470000 11.54125629760000 15.08786889330000 6.50215640130000 7.43288131130000 3.78176279200000 1.84280925030000 0.71993437990000
0.00078880040000 0.01807176110000 0.13396617080000 1.11658196590000 -1.08654438930000 0.29658951880000 -1.84286179910000 2.43199473100000 -3.59550395720000 -1.156529605750e1 -9.24414041790000 -3.33548389670000 -3.66105350010000 -1.87363749050000 -0.92547382680000 -0.36381634120000
0.00009615940000 0.00394510970000 0.03161930820000 0.26110599410000 -0.12692765320000 0.06457399000000 1.25699157850000 -2.85142770660000 6.44052471180000 7.65040668630000 4.57064894080000 1.49499981420000 1.63085404320000 0.84679240780000 0.42296919920000 0.16644580420000
0.00001701780000 -0.00016278050000 -0.00193636460000 -0.01494396480000 1.19912441270000 -0.56314257740000 1.32301865690000 0.98585195530000 -6.12700511680000 -3.91440906620000 -1.96031359760000 -0.61052659930000 -0.66909341900000 -0.35101063040000 -0.17643001210000 -0.06941608840000
-0.00000818090000 0.00003163200000 0.00053192680000 0.00389170270000 0.18272960880000 -0.22789155760000 -2.14843616470000 1.20677095100000 4.17569404090000 1.74307586970000 0.77211394600000 0.23276654780000 0.25589571040000 0.13488335950000 0.06797087140000 0.02673722260000
0.00000316390000 -0.00000895980000 -0.00018049840000 -0.00131802370000 -0.03009685540000 1.02330152680000 0.43876521980000 -2.31565190770000 -2.36532924710000 -0.73027705240000 -0.29189381810000 -0.08499097840000 -0.09333090860000 -0.04926408610000 -0.02483855280000 -0.00976908570000
-0.00000094590000 0.00000239250000 0.00005290290000 0.00042443830000 -0.00300766860000 0.24832167840000 0.52334501890000 1.62844947350000 0.95864579210000 0.24163670170000 0.08853588160000 0.02484185880000 0.02717960160000 0.01434627320000 0.00723082340000 0.00284352360000
* p-type functions
18 14
533259.36828000
86736.23503100
19792.26313700
5806.23827100
2042.75731840
816.63228930
356.15398172
164.48014096
78.75293599
38.51785909
19.03778412
9.42322194
4.62631953
2.22486901
1.02977294
0.44734200
0.17613687
0.06935230
0.00008277620000 -0.00005189680000 0.00001973380000 -0.00000717780000 0.00000500000000 -0.00000716390000 0.00001263390000 -0.00002378280000 0.00004384020000 -0.00019137430000 0.00009631490000 -0.00018115660000 0.00212720170000 -0.01339179130000
0.00036270850000 -0.00022792160000 0.00008680290000 -0.00003159470000 0.00002215460000 -0.00003195290000 0.00005539900000 -0.00009893030000 0.00022086470000 -0.00078162090000 0.00057641570000 -0.00039873100000 -0.00443122640000 0.06820625170000
0.00157207700000 -0.00099007940000 0.00037704910000 -0.00013708950000 0.00009485460000 -0.00013496660000 0.00024247610000 -0.00048048770000 0.00071973120000 -0.00402214710000 0.00127595580000 -0.00595745450000 0.01540918560000 -0.12541905380000
0.00624471640000 -0.00395867620000 0.00151467960000 -0.00055197460000 0.00039002300000 -0.00056690300000 0.00096337660000 -0.00161510140000 0.00443105010000 -0.01241000400000 0.01298766330000 0.00254539360000 0.00973686690000 0.79961099340000
0.02256371590000 -0.01443217530000 0.00553174750000 -0.00201138140000 0.00138134590000 -0.00195005550000 0.00358169420000 -0.00749838930000 0.00878762800000 -0.06681000760000 0.01173349520000 -0.14175163400000 -0.07159837250000 0.88495546250000
0.07094922380000 -0.04645908590000 0.01805195710000 -0.00659432520000 0.00469348940000 -0.00687232750000 0.01147258450000 -0.01818216150000 0.06102797500000 -0.18065031310000 0.22560854530000 0.14531719130000 2.62983076160000 -2.34757944210000
0.17930899440000 -0.12166389430000 0.04785051330000 -0.01743670870000 0.01187309210000 -0.01661227730000 0.03141864700000 -0.06983136930000 0.06701617230000 -0.95497181180000 0.30034605740000 -2.39669676760000 -5.31457472250000 2.57789018660000
0.32583172670000 -0.23432996370000 0.09518900830000 -0.03502303220000 0.02538076110000 -0.03781367140000 0.06038557750000 -0.08194102130000 0.37705242460000 0.52980128760000 0.33437758450000 6.50647088230000 5.96933136350000 -2.18998315550000
0.34354206230000 -0.23648256030000 0.09232657890000 -0.03333237900000 0.02082936490000 -0.02630227440000 0.06305328520000 -0.20336069700000 -0.31819207240000 0.28714458380000 -3.99857573650000 -9.10482042560000 -5.07491991470000 1.66459174980000
0.16890850860000 0.09569983600000 -0.08577116880000 0.03336042150000 -0.01755977970000 0.01703591310000 -0.07977847860000 0.42679016020000 0.61596658340000 1.66821303550000 8.37456337040000 8.59868716240000 3.72651046830000 -1.18820026060000
0.07835200620000 0.54303499350000 -0.40307729300000 0.16360663300000 -0.13039484170000 0.21140700890000 -0.29578011830000 0.07748719240000 -3.90626361060000 -4.15196644530000 -9.89983456920000 -6.32913541160000 -2.51484245520000 0.80765385360000
0.04723269380000 0.40719986160000 -0.26872340560000 0.09733426350000 -0.03862028370000 0.00966365200000 -0.18760244080000 1.19971982550000 7.75464042140000 4.57143470450000 8.21993361950000 4.01077603870000 1.59317797540000 -0.51993788050000
0.00632934030000 0.05926393250000 0.49307492950000 -0.26147239000000 0.13751751290000 -0.13655052450000 0.85250451570000 -4.72913469710000 -8.27886228060000 -3.38852860290000 -5.37025547770000 -2.31678957950000 -0.94407382920000 0.31215873000000
0.00102584590000 0.00877117170000 0.62651221030000 -0.41142781960000 0.45029995320000 -0.87037913670000 0.70858331480000 6.68341796960000 5.98529251440000 1.96099347800000 2.95643134060000 1.23811127460000 0.51504765440000 -0.17157833310000
-0.00021179470000 -0.00108344580000 0.13008113030000 0.17237804300000 -0.45954033890000 1.32046719680000 -3.27058447310000 -5.50741236290000 -3.32302507760000 -0.95869162290000 -1.42736415300000 -0.60438590570000 -0.25395828660000 0.08488450160000
0.00012731110000 0.00082626280000 -0.00233572760000 0.73674047400000 -0.58664316440000 0.29323574000000 3.85401544600000 3.24146498970000 1.53437016390000 0.41328512240000 0.61539682340000 0.26490995260000 0.11169824610000 -0.03738132390000
-0.00005299350000 -0.00035284130000 0.00000552690000 0.29735087730000 0.38423816390000 -1.89636974710000 -2.67446720330000 -1.54339918350000 -0.62544897610000 -0.16164962580000 -0.24080282190000 -0.10464152610000 -0.04415243070000 0.01478208370000
0.00001607390000 0.00010696720000 -0.00030302230000 0.00647392560000 0.79460719510000 1.42433256550000 1.05924823240000 0.51138813890000 0.19166167770000 0.04843919420000 0.07209712570000 0.03142692670000 0.01325952010000 -0.00443968450000
* d-type functions
14 13
2556.41092100
740.57017618
271.82274923
115.90224367
53.94134002
26.24273876
12.95822388
6.35830086
3.04429534
1.39320449
0.59232639
0.22440132
0.07132365
0.02266949
0.00060853100000 -0.00028509390000 0.00008609160000 -0.00010191670000 0.00004646260000 -0.00009021990000 0.00013267500000 -0.00086137930000 0.00037265050000 -0.00513162560000 0.00328767760000 -0.02683449810000 0.20132618010000
0.00514956060000 -0.00244140630000 0.00073877250000 -0.00086269950000 0.00043115880000 -0.00137178280000 0.00175139860000 -0.00421486930000 0.01612355920000 -0.02948377630000 0.07693755140000 0.03695932920000 -1.72673598900000
0.02847271100000 -0.01351434720000 0.00409048100000 -0.00483771380000 0.00222896980000 -0.00462286300000 0.00660659780000 -0.04043701520000 0.03712006570000 -0.34395737130000 0.46387955050000 -1.82676151180000 2.18687523960000
0.10259064910000 -0.04979894740000 0.01513475270000 -0.01768338490000 0.00883321270000 -0.02789686490000 0.03572972460000 -0.09144820300000 0.32909541380000 -0.52118345260000 0.91730937930000 3.63087799330000 -2.03969075850000
0.24649563450000 -0.12007526080000 0.03650608810000 -0.04331463860000 0.01960465270000 -0.03602809810000 0.05474299360000 -0.37214793020000 -0.00813737750000 -0.47478720820000 -3.39205567910000 -4.23295668140000 1.65044848620000
0.38559019130000 -0.18352714560000 0.05562467380000 -0.06443310220000 0.03414448300000 -0.13633253960000 0.17177150310000 -0.05021945580000 1.24458720510000 2.65655826170000 4.59877359070000 3.62378966630000 -1.19372600570000
0.33526089650000 -0.09476703600000 0.02365970340000 -0.02905321570000 0.00646899780000 0.06799148890000 -0.06242377850000 -0.25524769100000 -3.74247376260000 -3.38683242990000 -3.91814754500000 -2.49805485160000 0.77782346360000
0.11344013410000 0.25784272340000 -0.10045390300000 0.12953586530000 -0.04908098150000 -0.06959349130000 -0.05208983110000 2.39260052020000 4.53936440650000 2.54860905970000 2.47530198660000 1.46840660990000 -0.45771978760000
0.01524056360000 0.52740121090000 -0.19807603510000 0.23178516830000 -0.14980254580000 0.93720743140000 -1.22673423690000 -3.35225778010000 -3.37313859340000 -1.40472640490000 -1.27989788580000 -0.76198298920000 0.24255202890000
0.00417348500000 0.32901779820000 -0.06587513720000 0.07922501950000 0.03178941990000 -1.14149098140000 2.60209930490000 2.35837603470000 1.82827333430000 0.63953620530000 0.57797507610000 0.35390393370000 -0.11487980890000
0.00049905600000 0.04248115500000 0.44764364030000 -0.89130735470000 0.50973863930000 -0.13737572500000 -2.47985631460000 -1.17649959460000 -0.81170945150000 -0.25749233480000 -0.23450278170000 -0.14696673230000 0.04825625110000
0.00000292440000 0.00084040710000 0.50465686190000 0.18335481850000 -0.55682783770000 1.13795384220000 1.62258283310000 0.52028833310000 0.32115416440000 0.09413633640000 0.08598994390000 0.05459087000000 -0.01800898170000
-0.00000211030000 -0.00031976210000 0.28994891070000 0.76012586120000 -0.19032162520000 -1.18447693460000 -0.90852272950000 -0.23002776470000 -0.12337495850000 -0.03290778180000 -0.02990740420000 -0.01913018030000 0.00631714650000
0.00000035240000 0.00006146710000 -0.01425390100000 -0.00068021020000 1.02335314900000 0.69760420270000 0.40014539000000 0.08951902600000 0.04287235530000 0.01059579410000 0.00956711050000 0.00614635730000 -0.00202916030000
* f-type functions
6 6
2.69728643
1.48011764
0.95445742
0.54512605
0.23453055
0.08937661
0.13318331630000 -0.29285770440000 0.76903714590000 -1.23770684410000 1.08723685770000 -2.44858297230000
-0.07431286450000 0.20680529480000 -0.41551054690000 0.66971373260000 -1.29245303350000 8.00780201470000
0.36476744030000 -0.74333124560000 0.90324590770000 0.68555779210000 -1.05257925950000 -9.36990829690000
0.38816950630000 0.01695048430000 -1.05763456770000 -0.17812388330000 2.54057746130000 4.83441260430000
0.32149548110000 0.42921531020000 -0.11288285430000 -0.81398660260000 -1.84191154040000 -1.54042121930000
0.15782802050000 0.51809015950000 0.65459238250000 0.70155599630000 0.83629207600000 0.45028472930000
* g-type functions
4 4
1.81920799
0.81066184
0.34944375
0.11742076
0.01010764150000 -0.09047128220000 0.29337921720000 -1.38799601520000
0.67645528260000 -0.71867972990000 0.50486375560000 1.47307500400000
0.37291728530000 0.57123185460000 -1.13451608800000 -0.90512126520000
0.12819318020000 0.60931344880000 0.94116705410000 0.33493792270000
* h-type functions
3 3
0.83544700
1.70116122
0.41184366
0.69480314930000 -0.89636399810000 1.58155642160000
0.08550376680000 -0.20077577510000 -1.46224514850000
0.33076944690000 1.22308517370000 -0.77160335120000
/Ce.ANO-R.Zobel.25s18p14d9f5g4h.17s13p12d9f5g4h.
J.P. Zobel, P.-O. Widmark, V. Veryazov. J. Chem. Theory Comput. 16 (2020) 278-294. doi:10.1021/acs.jctc.9b00873
CERIUM (25s,18p,14d,9f,5g,4h) -> [17s,13p,12d,9f,5g,4h]
58.0 5
* s-type functions
25 17
55681021.99800000
11775721.93600000
2918604.25670000
825069.98833000
260011.87875000
89615.53578900
33251.25812900
13111.86203900
5437.54987460
2351.43768990
1052.99396370
485.42010017
229.14759324
110.20441282
53.70662376
26.35978047
12.93502358
6.28956141
2.99716556
1.38084947
0.60497339
0.24705624
0.09182268
0.03019514
0.00992943
0.00019011170000 -0.00004946890000 0.00002764030000 -0.00002011740000 0.00000574380000 -0.00000172810000 0.00000492280000 -0.00000689180000 0.00000948720000 -0.00000471280000 0.00001750640000 -0.00003372890000 0.00003057400000 -0.00014583620000 0.00028715790000 -0.00517403470000 0.00416577350000
0.00054582050000 -0.00014213560000 0.00007941320000 -0.00005779760000 0.00001650260000 -0.00000496540000 0.00001415020000 -0.00001982910000 0.00002730250000 -0.00001353780000 0.00004943150000 -0.00010000380000 0.00007816180000 -0.00066489340000 -0.00091843680000 0.01821031840000 -0.01737258030000
0.00130455730000 -0.00034025480000 0.00019005560000 -0.00013833530000 0.00003949640000 -0.00001188220000 0.00003383990000 -0.00004734090000 0.00006515610000 -0.00003241120000 0.00012197480000 -0.00022630790000 0.00023060460000 -0.00119893850000 0.01630577200000 -0.05059111490000 0.02603659280000
0.00285781010000 -0.00074793530000 0.00041766180000 -0.00030397920000 0.00008680270000 -0.00002612160000 0.00007448150000 -0.00010452700000 0.00014398520000 -0.00007119880000 0.00025303890000 -0.00055075160000 0.00031273130000 -0.00269110850000 -0.03435995830000 0.12489196670000 -0.05475436530000
0.00613072370000 -0.00161465790000 0.00090075660000 -0.00065577350000 0.00018723590000 -0.00005631460000 0.00016022020000 -0.00022353390000 0.00030744990000 -0.00015373920000 0.00060645660000 -0.00097440700000 0.00149409380000 -0.00817598170000 0.12169085820000 -0.24716137320000 0.08313886640000
0.01302577650000 -0.00346728160000 0.00193277060000 -0.00140669920000 0.00040182790000 -0.00012097480000 0.00034554670000 -0.00048718680000 0.00067190330000 -0.00032938330000 0.00107045370000 -0.00290502320000 -0.00005375120000 -0.00894698430000 -0.28154324150000 0.65471812430000 -0.82569970540000
0.02781973520000 -0.00753869810000 0.00419069640000 -0.00305286610000 0.00087176350000 -0.00026204040000 0.00074361810000 -0.00103021900000 0.00141493830000 -0.00071720630000 0.00315775850000 -0.00337946570000 0.01154748010000 -0.03821480760000 0.61723081490000 -1.64098529330000 3.64907934710000
0.05905763430000 -0.01649436170000 0.00915024400000 -0.00666063540000 0.00190427180000 -0.00057381940000 0.00164507010000 -0.00234170670000 0.00323674060000 -0.00155843440000 0.00408103820000 -0.01723636000000 -0.01467181900000 -0.06251107910000 -0.87949366560000 3.60043958960000 -7.36277888540000
0.12138978420000 -0.03585982780000 0.01975240440000 -0.01441393110000 0.00411903130000 -0.00123684490000 0.00349392640000 -0.00477905760000 0.00655036660000 -0.00340458730000 0.01776570730000 -0.00623344450000 0.09182012170000 -0.21526413400000 2.13194284180000 -7.71420266810000 8.78896162420000
0.22652068800000 -0.07436921780000 0.04072531640000 -0.02968873070000 0.00851051140000 -0.00256873540000 0.00741314330000 -0.01073049570000 0.01488988460000 -0.00695003180000 0.01047990700000 -0.10451555620000 -0.17773995720000 -0.26652683560000 -2.66815788880000 13.46656799300000 -6.12919985650000
0.33928088320000 -0.13583875490000 0.07347178480000 -0.05396739820000 0.01548185860000 -0.00463889360000 0.01297609190000 -0.01724408070000 0.02354907430000 -0.01295987970000 0.09062864210000 0.05404167960000 0.68672830430000 -0.52445310820000 4.95970876510000 -1.699894129740e1 1.40926895850000
0.31574799230000 -0.16833663770000 0.09202351980000 -0.06757164550000 0.01958675590000 -0.00595428930000 0.01767072150000 -0.02735322510000 0.03850783010000 -0.01581449390000 -0.05462924490000 -0.51867474410000 -1.49428196190000 -0.25410000120000 -1.127077066690e1 16.15646053270000 2.16688714150000
0.10925754310000 0.00533317820000 -0.00443698510000 0.00291257670000 -0.00112222200000 0.00048409670000 -0.00315414250000 0.01105314900000 -0.01744964110000 0.00026228680000 0.28828931750000 0.97040335070000 5.07660229480000 5.67825982640000 16.82277378810000 -1.280889627320e1 -3.52959285710000
-0.03437645470000 0.45966029330000 -0.32563314410000 0.26246796230000 -0.07971465610000 0.02373475900000 -0.06410738100000 0.07527632310000 -0.10279955360000 0.07258730870000 -0.98657596210000 -1.63446687380000 -1.355605725310e1 -9.50261496180000 -1.742252459290e1 9.31781856770000 3.34261641450000
-0.04550372380000 0.52353835120000 -0.53489177890000 0.45528133280000 -0.14652702870000 0.04521682830000 -0.14019664290000 0.23578154300000 -0.34319455510000 0.12523620020000 1.12812244710000 6.92008694840000 20.99668053770000 8.41823345300000 14.10954294560000 -6.55373594620000 -2.55155764600000
-0.01146088010000 0.13065059030000 0.11510158590000 -0.11596913530000 0.04452643430000 -0.01540476770000 0.06768127660000 -0.18066744360000 0.29548729430000 -0.05069173630000 -3.20421115610000 -1.547915172660e1 -2.131267619570e1 -5.52112548200000 -9.84824519700000 4.48056864040000 1.73693730680000
0.00070422180000 0.02713447400000 0.69557059830000 -1.16463941610000 0.48854202330000 -0.14772547050000 0.40783970360000 -0.46169223000000 0.72428752800000 -0.60754795840000 9.85811545400000 19.20761321540000 16.20749205040000 3.25305445150000 6.29669739880000 -2.92718161520000 -1.10083970630000
0.00014990010000 0.00550521310000 0.24213922170000 -0.28095201330000 0.11893381180000 -0.04435425580000 0.17708123770000 -0.49662320210000 0.55872470040000 0.20827537890000 -1.624708091740e1 -1.583762918400e1 -1.020317028500e1 -1.86891602710000 -3.76978395310000 1.79484249100000 0.65657124790000
0.00038790200000 -0.00375406500000 0.21083649920000 1.06049839450000 -0.85004355550000 0.29914557740000 -1.18867650110000 2.65485861040000 -5.15484522630000 2.13898866540000 16.50975658160000 9.91254909240000 5.66600977070000 1.03863332260000 2.10841865180000 -1.01956202540000 -0.36634072850000
0.00008669530000 -0.00210986770000 0.07793338090000 0.39015600240000 -0.50709971060000 0.16145757740000 -0.00156539770000 -2.01072851650000 8.50235258010000 -4.65367430620000 -1.191001660260e1 -5.18636147050000 -2.87136421870000 -0.54041040200000 -1.09170635290000 0.53235406100000 0.18940235970000
0.00000770420000 0.00027312760000 -0.00239297250000 -0.00786941240000 0.94497842150000 -0.39442608810000 1.93383288030000 -1.57157238730000 -7.55666742880000 5.66356726150000 6.80865576150000 2.41949330200000 1.34543558750000 0.25862091550000 0.52030584780000 -0.25478050690000 -0.09020077230000
-0.00000298130000 -0.00013561460000 0.00160315540000 0.00712474530000 0.56361028810000 -0.54075831240000 -0.91549660030000 3.81308046720000 4.16910428220000 -5.35914307420000 -3.33977145210000 -1.04205407960000 -0.58466872890000 -0.11367403970000 -0.22825012050000 0.11198307010000 0.03955668590000
0.00000119190000 0.00005436940000 -0.00057075900000 -0.00245345320000 -0.00727106170000 0.47428319860000 -1.32065962610000 -3.00995827860000 -1.03231492310000 4.52775590880000 1.48014929880000 0.41916981850000 0.23593300070000 0.04612440570000 0.09252110390000 -0.04542624110000 -0.01603180460000
-0.00000042530000 -0.00002077380000 0.00022276610000 0.00094354970000 0.01075429950000 0.83941126900000 1.02600252010000 0.86711332610000 -0.72995266740000 -3.59539758580000 -0.61668396430000 -0.15826385510000 -0.08888668130000 -0.01743466110000 -0.03493888240000 0.01715718720000 0.00605345410000
0.00000012680000 0.00000598580000 -0.00006198490000 -0.00026800390000 -0.00253300980000 0.00823230400000 0.17150805430000 0.35206276630000 0.85724736490000 1.92896480060000 0.19815371550000 0.04586682940000 0.02562970360000 0.00504089480000 0.01009070170000 -0.00495465530000 -0.00174812020000
* p-type functions
18 13
578535.15419000
94174.52267800
21411.83652300
6247.26713360
2185.86983550
869.92067656
378.24801366
174.41752486
83.48453167
40.84871238
20.20160935
10.00205680
4.90893961
2.35871564
1.09068642
0.47382349
0.18708864
0.07387173
0.00008394920000 -0.00005029790000 0.00001996290000 -0.00000726100000 0.00000510780000 -0.00000904360000 0.00001332690000 -0.00001911710000 0.00003785690000 -0.00005424900000 0.00027394440000 -0.00030956020000 0.00064379140000
0.00036375460000 -0.00021845420000 0.00008682810000 -0.00003159970000 0.00002233650000 -0.00003969000000 0.00005739830000 -0.00007486330000 0.00019394290000 -0.00011455780000 0.00113375960000 0.00030004640000 -0.00617759630000
0.00156329140000 -0.00094098450000 0.00037400280000 -0.00013599570000 0.00009519860000 -0.00016793400000 0.00025252710000 -0.00039553670000 0.00058020500000 -0.00154345420000 0.00587492430000 -0.00934471750000 0.00204788620000
0.00617386950000 -0.00374102230000 0.00149335980000 -0.00054405470000 0.00038678640000 -0.00069033490000 0.00097582120000 -0.00112017000000 0.00393991890000 0.00054159090000 0.01997704380000 0.01523718960000 -0.18220779640000
0.02227957790000 -0.01362197960000 0.00544637760000 -0.00198070320000 0.00137895130000 -0.00242250360000 0.00373171720000 -0.00639436610000 0.00631697320000 -0.03075729230000 0.11158638260000 -0.19726910550000 0.06265032490000
0.07022106060000 -0.04396139450000 0.01779868580000 -0.00649879870000 0.00464659260000 -0.00833104520000 0.01153392730000 -0.01153847400000 0.05419869070000 0.03435454490000 0.26098996300000 0.26630080730000 -2.38385767000000
0.17851127410000 -0.11582626880000 0.04742140300000 -0.01728378500000 0.01196093260000 -0.02092709770000 0.03325529170000 -0.06274823550000 0.03465754580000 -0.36206041790000 1.14409526930000 -2.33979535990000 5.03333247130000
0.32760829490000 -0.22546774580000 0.09513176040000 -0.03496718820000 0.02535498380000 -0.04594573650000 0.06038198620000 -0.03735040880000 0.39488866600000 0.43225440870000 -0.86951325410000 6.49186194280000 -5.74222614800000
0.35099437910000 -0.23271874130000 0.09495631950000 -0.03435881180000 0.02238926140000 -0.03722068890000 0.07409323850000 -0.23217785730000 -0.30823676950000 -2.56233342460000 -1.82855916600000 -9.48924222090000 4.87423883860000
0.17156351110000 0.08831556980000 -0.08066914330000 0.03151084500000 -0.01822806890000 0.02774326700000 -0.09584442420000 0.46811615220000 0.77972754330000 7.11976610190000 3.34474428810000 9.27209505490000 -3.55490218460000
0.06734862760000 0.54063209850000 -0.40355657360000 0.16324588430000 -0.12840596550000 0.24832074730000 -0.27658598260000 -0.29743781850000 -4.28572831550000 -9.78282865490000 -2.89410515790000 -6.99167081250000 2.39066723280000
0.03902252810000 0.41562505530000 -0.27966029980000 0.10251463610000 -0.05049755190000 0.05783445880000 -0.29954751660000 1.90074288790000 7.97587031110000 8.67130480890000 1.85409324030000 4.49916577540000 -1.51435191880000
0.00562986400000 0.06316226270000 0.48994098710000 -0.26140650100000 0.16570811220000 -0.30551886990000 1.19704212910000 -5.40224814160000 -8.03497421070000 -5.79546818950000 -1.03855408090000 -2.61575498580000 0.89774534240000
0.00128463770000 0.01006444500000 0.62681433000000 -0.40568032820000 0.40514174680000 -0.84816628920000 0.12474065570000 7.23808655930000 5.45487632450000 3.20323779970000 0.54050688880000 1.39757129220000 -0.48991440400000
-0.00009901520000 -0.00076523360000 0.13363654820000 0.15796400060000 -0.43366932820000 1.54773822360000 -2.72294160490000 -6.01754643380000 -2.84986374730000 -1.54338236390000 -0.26070814590000 -0.68112194100000 0.24196436630000
0.00011517670000 0.00084869470000 0.00151421760000 0.72179847730000 -0.52939250350000 0.02756838570000 3.64992045470000 3.64214923520000 1.25055474710000 0.66446875010000 0.11406043510000 0.29883975950000 -0.10686983990000
-0.00004649280000 -0.00035570570000 0.00085075310000 0.32105244290000 0.24597457140000 -1.68885068600000 -2.74443363950000 -1.77489319570000 -0.48971575750000 -0.26001410820000 -0.04511458390000 -0.11831716550000 0.04243589090000
0.00001420140000 0.00010843950000 -0.00023219830000 0.00513738380000 0.88067671180000 1.29489852370000 1.13581525420000 0.59395196970000 0.14625632890000 0.07768273940000 0.01352997460000 0.03550147980000 -0.01274633830000
* d-type functions
14 12
2978.05532750
857.07650822
313.89186775
133.78226797
62.29522741
30.36386326
15.05829534
7.44864657
3.61207969
1.68218619
0.73026886
0.28253217
0.09119656
0.02943669
0.00050497030000 -0.00023353830000 0.00005840740000 -0.00008713490000 0.00007106410000 -0.00006666180000 0.00011058820000 -0.00077323740000 0.00005713730000 -0.00440361030000 0.00129484070000 -0.05111945290000
0.00425364920000 -0.00198665060000 0.00050105770000 -0.00073681430000 0.00071111760000 -0.00111396740000 0.00178428700000 -0.00174175730000 0.01313258440000 0.00633980070000 -0.08850670030000 0.19502023410000
0.02389845910000 -0.01118896560000 0.00280554830000 -0.00417705870000 0.00346061080000 -0.00348723200000 0.00575035170000 -0.03479741110000 0.01235071910000 -0.19679561420000 -0.06910506970000 -2.12505273750000
0.08864234900000 -0.04232410140000 0.01070940400000 -0.01572030740000 0.01507181900000 -0.02351027510000 0.03785597430000 -0.04254437520000 0.29069224750000 0.04829539430000 -1.99204720330000 3.43447592310000
0.22375329330000 -0.10780752570000 0.02711826840000 -0.04048232540000 0.03271346590000 -0.02987295070000 0.05022641820000 -0.37349855530000 0.03205349220000 -2.07852858440000 3.90473237220000 -3.44404611190000
0.37250999470000 -0.17625897880000 0.04474060850000 -0.06600811050000 0.06994926790000 -0.12724005710000 0.20253648490000 0.09747014500000 1.48831283780000 4.49544702900000 -3.99248315070000 2.68086991790000
0.35810449400000 -0.12188419900000 0.02753021300000 -0.04577121450000 0.02550376180000 0.04553773710000 -0.07469728960000 -0.86849778130000 -4.04392752240000 -4.73101192670000 2.92681484430000 -1.77786789330000
0.14044697590000 0.19991966240000 -0.06259459370000 0.09988170660000 -0.04351951050000 -0.09342435390000 0.06504974840000 3.21704261730000 4.53134648650000 3.32290873230000 -1.76011931470000 1.05052013590000
0.01684946650000 0.50652626640000 -0.15702155240000 0.24712817580000 -0.36627796720000 0.92217618560000 -1.55286704720000 -3.98048350360000 -3.16706983420000 -1.80557494980000 0.92614288770000 -0.55978784940000
0.00226306640000 0.38002336680000 -0.08612576360000 0.18107935140000 -0.01153591690000 -1.07757224030000 2.90622567260000 2.71694522690000 1.65530356570000 0.82959301100000 -0.43460648950000 0.26687701280000
0.00032409460000 0.07691038770000 0.22285300170000 -0.80205032810000 1.08182848900000 -0.05506627380000 -2.57564244070000 -1.34315435870000 -0.71137018430000 -0.33706925750000 0.18110911070000 -0.11234322900000
0.00003166550000 0.00172051870000 0.54695684060000 -0.18604436080000 -1.06017019010000 0.98680955030000 1.59663030910000 0.56805501910000 0.26631210850000 0.12297592400000 -0.06695856290000 0.04170803170000
-0.00000151370000 0.00021030430000 0.42895278860000 0.69733129080000 0.06269009740000 -1.25035545940000 -0.92555554890000 -0.22890234760000 -0.09591885340000 -0.04262317540000 0.02332688020000 -0.01453284460000
0.00000265040000 -0.00007922740000 0.03465747710000 0.19560387820000 0.71653371620000 0.97538865800000 0.48375763510000 0.08441812540000 0.03260728890000 0.01367186830000 -0.00749795940000 0.00466419330000
* f-type functions
9 9
122.90929609
41.50152343
16.71389782
7.30596192
3.26605935
1.43119948
0.58887180
0.21396590
0.07774427
0.00378971240000 -0.00276099830000 0.00310439480000 -0.00349899890000 0.00444136210000 -0.01356625350000 0.04306198070000 -0.06653284410000 1.26338175850000
0.02657862030000 -0.01881185050000 0.01644416940000 -0.00961865710000 0.02112852910000 -0.15280786950000 0.11443171160000 -1.39213510220000 -1.16958383020000
0.09664250800000 -0.07071294410000 0.07910947920000 -0.08675215490000 0.10394944620000 -0.33247773660000 1.34524472230000 1.75210326360000 0.85989557630000
0.22601461830000 -0.16084996190000 0.13404746000000 -0.06333416560000 0.18024532670000 -0.92725792620000 -2.18628206840000 -1.29324346050000 -0.55579376560000
0.33825605310000 -0.25402792590000 0.37210592600000 -0.58320265260000 0.51059160290000 1.81441649070000 1.76150792990000 0.72851343580000 0.31409298070000
0.35877249380000 -0.16160101110000 -0.14863200030000 0.98130651010000 -1.54422371390000 -1.31819810700000 -0.98246729510000 -0.34853909710000 -0.15409115120000
0.27295440010000 0.40898952030000 -0.77150118730000 -0.14422476240000 1.64556627980000 0.69547842280000 0.44763206280000 0.14620859580000 0.06551343520000
0.11435666300000 0.50767563730000 0.40013871130000 -0.83287365270000 -1.28004411020000 -0.35171621360000 -0.18902169480000 -0.05583913870000 -0.02518016090000
0.01494319310000 0.25247084460000 0.52253510030000 0.90750246460000 0.71243242130000 0.14993070260000 0.06950885590000 0.01859995760000 0.00841370940000
* g-type functions
5 5
2.50873488
1.24299589
1.02737783
0.44607060
0.14243113
0.12171840670000 -0.20089189970000 0.71842878980000 -1.26462216130000 1.81608848160000
-0.15979952010000 0.03431111460000 0.62851683960000 1.49083463450000 -1.085745120240e1
0.66933862280000 -0.68598886750000 -0.75170699300000 0.06334251240000 10.59534284170000
0.45799461380000 0.45744521960000 -0.52569463000000 -1.03742164140000 -1.76153898020000
0.16838585350000 0.64375476200000 0.66309577840000 0.58433193410000 0.45528699900000
* h-type functions
4 4
2.11678732
1.11340774
0.55731013
0.12160082
0.06753983090000 -0.53276461780000 0.88553358650000 -1.24947578580000
0.52084533570000 -0.41195575610000 -0.53337230330000 1.98425386300000
0.51067444080000 0.64317702560000 -0.19799120880000 -1.33365952450000
0.09960672970000 0.50766198670000 0.76991607100000 0.44095849530000
/Pr.ANO-R.Zobel.25s19p12d10f5g4h.16s14p10d10f5g4h.
J.P. Zobel, P.-O. Widmark, V. Veryazov. J. Chem. Theory Comput. 16 (2020) 278-294. doi:10.1021/acs.jctc.9b00873
PRASEODYMIUM (25s,19p,12d,10f,5g,4h) -> [16s,14p,10d,10f,5g,4h]
59.0 5
* s-type functions
25 16
56301535.24800000
12009280.76200000
2993638.31760000
849280.04250000
268145.38585000
92485.33354400
34315.70096900
13526.51132000
5607.00244320
2423.99720820
1085.48112590
500.56918461
236.45675191
113.81879649
55.51586544
27.26246338
13.37530347
6.49414000
3.08427386
1.41247128
0.61296124
0.24682937
0.08995162
0.02880471
0.00922397
0.00019246340000 -0.00007530700000 0.00003748920000 -0.00001079240000 0.00000614860000 -0.00000183750000 0.00000412560000 -0.00000750040000 0.00001099390000 -0.00000603700000 0.00001958230000 -0.00004451020000 0.00006284000000 -0.00012984960000 0.00044273150000 -0.01382519270000
0.00055004180000 -0.00021533870000 0.00010721890000 -0.00003086570000 0.00001758560000 -0.00000525580000 0.00001180550000 -0.00002146710000 0.00003145730000 -0.00001718110000 0.00005533420000 -0.00012906780000 0.00016898070000 -0.00040105770000 -0.00025996240000 0.03255728700000
0.00130750890000 -0.00051246890000 0.00025522230000 -0.00007348530000 0.00004186360000 -0.00001250950000 0.00002807910000 -0.00005104080000 0.00007482700000 -0.00004125630000 0.00013454890000 -0.00029999270000 0.00044786490000 -0.00085845820000 0.00291111970000 -0.10011324340000
0.00284894660000 -0.00111940090000 0.00055791510000 -0.00016064280000 0.00009152810000 -0.00002735980000 0.00006149160000 -0.00011185060000 0.00016385280000 -0.00008876680000 0.00028274170000 -0.00068584130000 0.00079560800000 -0.00229491910000 -0.00091109030000 0.35144843230000
0.00608056050000 -0.00240009470000 0.00119736340000 -0.00034499120000 0.00019649040000 -0.00005869640000 0.00013160860000 -0.00023909770000 0.00035078340000 -0.00019633170000 0.00065290800000 -0.00135450450000 0.00244525170000 -0.00328595730000 0.00984366560000 -0.69677155990000
0.01284975200000 -0.00511140070000 0.00255606220000 -0.00073646780000 0.00041964430000 -0.00012550610000 0.00028260660000 -0.00051457810000 0.00075296910000 -0.00039744940000 0.00122063750000 -0.00334814240000 0.00246235040000 -0.01334500680000 -0.00023767400000 1.64326590800000
0.02728880140000 -0.01099723450000 0.00551423050000 -0.00159202050000 0.00090614780000 -0.00027048220000 0.00060480450000 -0.00109708750000 0.00161312390000 -0.00093758070000 0.00326414350000 -0.00561608000000 0.01528072050000 -0.00802807190000 0.13446757950000 -2.91900754220000
0.05757220630000 -0.02372054140000 0.01197319940000 -0.00345684120000 0.00196984530000 -0.00058977120000 0.00133321020000 -0.00243311750000 0.00355098020000 -0.00177105260000 0.00498496000000 -0.01775245960000 0.00014290230000 -0.08775995390000 -0.29631823530000 4.06611356680000
0.11746935350000 -0.05044873130000 0.02569745020000 -0.00746241110000 0.00424088600000 -0.00126418480000 0.00281280290000 -0.00508753550000 0.00751619780000 -0.00466715700000 0.01745450680000 -0.02103392590000 0.10571333950000 0.01392399330000 1.20901774260000 -4.23766345690000
0.21705062800000 -0.10097144630000 0.05258021060000 -0.01530582200000 0.00871610200000 -0.00261468020000 0.00595249010000 -0.01091043020000 0.01585093800000 -0.00709130790000 0.01620822170000 -0.09521023620000 -0.08727772480000 -0.58990788050000 -1.95181829520000 7.15059771940000
0.32003569970000 -0.17413157550000 0.09396537010000 -0.02786576050000 0.01576104090000 -0.00468440830000 0.01030951770000 -0.01852675750000 0.02770352060000 -0.01971295170000 0.08329657750000 -0.03648228960000 0.68106711780000 0.52867146440000 5.67256603530000 -1.204893745740e1
0.29057480680000 -0.20075916590000 0.11573108770000 -0.03465172240000 0.01970966290000 -0.00596384670000 0.01399563600000 -0.02611649760000 0.03718897390000 -0.00844799830000 -0.02307253680000 -0.37779551120000 -1.12020499240000 -2.84504172840000 -1.280697215450e1 13.94322696370000
0.10755626640000 -0.00333827340000 -0.00846114700000 0.00279118930000 -0.00180481220000 0.00072259720000 -0.00313957080000 0.00739985800000 -0.00803309320000 -0.02599968810000 0.21256204280000 0.61893834840000 3.16477101620000 10.04988322920000 17.38582679700000 -1.229784521680e1
0.02265152260000 0.45136509200000 -0.41263983270000 0.14991540310000 -0.08213718480000 0.02416184730000 -0.05110669590000 0.08980011070000 -0.14364163620000 0.15451107280000 -0.84273332980000 -0.34757715100000 -1.050361263650e1 -1.585874984240e1 -1.678537926600e1 9.37215243550000
0.01970120010000 0.50022205980000 -0.66645978900000 0.26783445040000 -0.14845949060000 0.04558204230000 -0.11185091430000 0.21479925400000 -0.30668092970000 0.00269722970000 0.68888159420000 4.50492361770000 18.75292557950000 15.86362262310000 13.17444170730000 -6.64506397110000
0.00424570130000 0.13318370030000 0.16030582230000 -0.08932212560000 0.05146379020000 -0.01777301840000 0.05899110220000 -0.12926836980000 0.16660360560000 0.27132888870000 -2.15902876220000 -1.286222822490e1 -2.101791836080e1 -1.219511185680e1 -9.13101832050000 4.49603855740000
0.00214973820000 0.05514347240000 1.01765530730000 -0.90742266630000 0.50266207270000 -0.14919860370000 0.32241452660000 -0.59331188430000 1.17730281110000 -1.51974523970000 8.30559118240000 17.43186595330000 17.23183726440000 8.02502256720000 5.82894580510000 -2.89251319790000
0.00024591050000 0.01432181880000 0.29714692350000 -0.14936437640000 0.08991584940000 -0.03659974440000 0.13429488120000 -0.27170579730000 -0.16520622680000 1.83341434660000 -1.479521269300e1 -1.513637871310e1 -1.139017899170e1 -4.77225808400000 -3.46960835100000 1.74580813630000
0.00016023320000 0.00112029200000 -0.11962367150000 1.06031612170000 -0.84830392330000 0.29811737600000 -0.97844460440000 2.25697698670000 -4.45335582470000 0.22192848670000 15.71553805980000 9.86591701930000 6.45868703960000 2.61480782780000 1.91882029550000 -0.97590428290000
-0.00007539370000 -0.00029701390000 -0.04161751590000 0.36443476630000 -0.47647419890000 0.14152455740000 0.18394453750000 -1.32265404160000 7.88622279170000 -3.04483071990000 -1.179489443340e1 -5.33896782840000 -3.27092274190000 -1.32270312550000 -0.97892526820000 0.50108504150000
0.00003734650000 0.00024296930000 0.00100723400000 0.01009508210000 0.92450475130000 -0.36068804950000 1.06941674550000 -2.23653527980000 -6.89936716710000 4.66261380210000 7.04434070280000 2.55724983330000 1.51467349880000 0.61674056240000 0.45898588400000 -0.23572907360000
-0.00001584500000 -0.00006519730000 -0.00013744190000 0.01694885880000 0.55129261470000 -0.55868510860000 0.04134423750000 3.79044956150000 3.50174613560000 -4.86100418440000 -3.65280509760000 -1.12610629100000 -0.64918851840000 -0.26544377310000 -0.19811975490000 0.10190883690000
0.00000648310000 0.00003654920000 0.00017654190000 -0.00249270170000 -0.00596290160000 0.47937363220000 -1.77533870080000 -2.33524125800000 -0.56727813410000 4.26541534220000 1.76192173300000 0.46704285940000 0.25951114790000 0.10599609230000 0.07920087230000 -0.04076343390000
-0.00000245770000 -0.00001435930000 -0.00008385260000 0.00083296040000 0.02897959160000 0.83360284190000 0.96790818970000 0.31145085120000 -0.81935873130000 -3.38254210970000 -0.85128158280000 -0.18811514940000 -0.09803814750000 -0.03974874340000 -0.02970117970000 0.01528817130000
0.00000070920000 0.00000402830000 0.00001999180000 -0.00029505870000 -0.00280213110000 0.00606758900000 0.36787344610000 0.50113440590000 0.75887694650000 1.80303516940000 0.33160156180000 0.06065967650000 0.02887732040000 0.01155489910000 0.00862861210000 -0.00444066200000
* p-type functions
19 14
1106015.59670000
178266.43872000
39511.73593400
11178.03043000
3797.97570240
1476.02038380
631.45474713
288.74773175
138.04128444
67.87068872
33.89978153
17.03384009
8.53493802
4.22426565
2.04120934
0.94814026
0.41459111
0.16596058
0.06643392
0.00005299830000 -0.00002741240000 0.00001076300000 -0.00000433730000 0.00000291290000 -0.00000577840000 0.00000791720000 -0.00001014640000 0.00002734980000 -0.00004008260000 0.00006279940000 -0.00014081870000 0.00137191910000 -0.00314147940000
0.00021711300000 -0.00011250920000 0.00004419130000 -0.00001780980000 0.00001193930000 -0.00002369680000 0.00003296130000 -0.00004274450000 0.00010549960000 -0.00017720320000 0.00017583080000 -0.00073143970000 -0.00696961950000 -0.02270894020000
0.00088308020000 -0.00045875180000 0.00018038700000 -0.00007269110000 0.00004891970000 -0.00009698840000 0.00013068310000 -0.00016503800000 0.00049440630000 -0.00059351760000 0.00166861240000 -0.00155846720000 0.02692610960000 -0.09678691450000
0.00333185230000 -0.00173896280000 0.00068419080000 -0.00027576690000 0.00018440240000 -0.00036631250000 0.00052077950000 -0.00068697430000 0.00147629030000 -0.00313131790000 0.00033675230000 -0.01624211610000 -0.16567509270000 -1.57700126320000
0.01190418650000 -0.00626176160000 0.00247207360000 -0.00099622510000 0.00067235340000 -0.00133225360000 0.00175358850000 -0.00217286580000 0.00745403170000 -0.00693174210000 0.03295623690000 -0.01203395550000 0.57107775570000 2.58768258750000
0.03868246520000 -0.02067511320000 0.00818737930000 -0.00330063020000 0.00220192700000 -0.00437879710000 0.00636501900000 -0.00853678470000 0.01598548990000 -0.04286814740000 -0.02033826970000 -0.27374101410000 -1.01733320210000 -2.71422732010000
0.10880334180000 -0.05992533950000 0.02398553090000 -0.00966919910000 0.00654607130000 -0.01297115830000 0.01670807480000 -0.02035397120000 0.08005549600000 -0.06016825910000 0.42870487690000 -0.09255464580000 3.91795564330000 2.21074970120000
0.24151106120000 -0.13960966690000 0.05653637340000 -0.02280976860000 0.01516881000000 -0.03023524220000 0.04551038340000 -0.06261959000000 0.09521514810000 -0.35964871300000 -0.41709212140000 -2.18862933850000 -7.46779398760000 -1.50212810550000
0.37116371910000 -0.22694628540000 0.09397992400000 -0.03792756460000 0.02594953330000 -0.05134424150000 0.06065667130000 -0.06795043690000 0.40304551800000 -0.05547275210000 2.64647520690000 6.14368750800000 8.76142172270000 0.95708695800000
0.30571947650000 -0.14232609580000 0.05066808620000 -0.02029634640000 0.01248105290000 -0.02525992570000 0.05990389690000 -0.10083402720000 -0.37224724880000 -0.57270517010000 -7.40258440960000 -7.91353831830000 -7.70557751770000 -0.63669978870000
0.09864608690000 0.26603603250000 -0.16804192550000 0.06984725340000 -0.04511279540000 0.09330947820000 -0.19834135730000 0.33104944560000 -0.11037474350000 4.62409478280000 10.47592169670000 7.00796579300000 5.71208113940000 0.44638049020000
0.01676728750000 0.59663356300000 -0.41777777510000 0.17679850030000 -0.12805501660000 0.26145723120000 -0.25841737510000 0.25104681090000 -2.34243701710000 -8.73034277580000 -9.89092089400000 -5.03997978640000 -3.82259232840000 -0.31043912440000
0.00557888000000 0.28864692220000 -0.06136491700000 0.01113867300000 0.00807788290000 -0.02515947610000 -0.16267954880000 0.32845678880000 6.51228148920000 9.37675216010000 7.18857952480000 3.19502388800000 2.38049145730000 0.20376260220000
0.00127951800000 -0.00209317490000 0.62574503620000 -0.33487319940000 0.23261864120000 -0.57977320310000 1.68581922530000 -3.42310593210000 -7.93918089230000 -7.20311205310000 -4.37945765920000 -1.84901541310000 -1.38445371760000 -0.12327702620000
0.00074704980000 -0.01797824540000 0.49468692010000 -0.31114517510000 0.27078878060000 -0.41022964260000 -1.39675824160000 6.14259420540000 6.18004613380000 4.40547615070000 2.35385874990000 0.98449254690000 0.74484145090000 0.06793919780000
0.00008324490000 -0.00395062900000 0.06662995680000 0.30038209290000 -0.52414640830000 1.69904983670000 -1.09830264030000 -6.10082263740000 -3.61959800280000 -2.28124198730000 -1.14266659420000 -0.47968891380000 -0.36600703130000 -0.03382165050000
0.00000820210000 0.00035494360000 0.00368439720000 0.68686910420000 -0.37745164870000 -0.60192580160000 2.86660735490000 4.26195442100000 1.75139367460000 1.03664667310000 0.50286893070000 0.21189353570000 0.16247428490000 0.01510917780000
-0.00000344780000 -0.00018934780000 -0.00036984960000 0.24414607580000 0.28560398230000 -1.22918314600000 -2.69314391520000 -2.32644118870000 -0.73858354330000 -0.42232842280000 -0.20066783460000 -0.08459689590000 -0.06500596800000 -0.00606152490000
0.00000083830000 0.00005772900000 0.00016174140000 0.00009685630000 0.83967186840000 1.15534171740000 1.23405612470000 0.82844248630000 0.22794177220000 0.12810008090000 0.06007325720000 0.02529658830000 0.01945085750000 0.00181536220000
* d-type functions
12 10
3320.08072550
933.79869123
343.66554111
147.65201440
68.90111488
33.50172099
16.60074635
8.26524547
4.06321470
1.91005121
0.81021731
0.34368298
0.00046598650000 -0.00020811460000 0.00006707690000 -0.00010138220000 0.00011579370000 -0.00065407160000 0.00345393410000 -0.00237199650000 0.03507457390000 -0.06069606870000
0.00396453910000 -0.00178538670000 0.00061967140000 -0.00085711460000 0.00200264650000 -0.00877112610000 0.00250610530000 0.08645297550000 0.05702870510000 1.62193847820000
0.02187179220000 -0.00988642060000 0.00320974500000 -0.00479905710000 0.00586879950000 -0.03208093000000 0.17571933020000 0.07475701220000 1.82975203940000 -2.23178361170000
0.08142061480000 -0.03747229920000 0.01302908040000 -0.01796249560000 0.04181134830000 -0.19618305750000 0.09805499470000 1.97956690880000 -3.19834092400000 2.18853621290000
0.21264270210000 -0.09907618040000 0.03200442620000 -0.04839460020000 0.05316274740000 -0.37241135450000 1.82455933680000 -3.98704842290000 3.28665527830000 -1.81977700130000
0.36864891480000 -0.16895119600000 0.06059672670000 -0.08307975780000 0.23853519100000 -0.87352632260000 -4.24782959180000 4.26246726950000 -2.60836850830000 1.35195214390000
0.36954212930000 -0.12870047120000 0.03178953710000 -0.07003263910000 -0.06424335820000 2.00977302050000 4.60484718300000 -3.33249333540000 1.77561564360000 -0.91688098660000
0.15219331140000 0.17161067910000 -0.05145541580000 0.09964295490000 0.18271283790000 -0.60261913360000 -3.30113806380000 2.13623912250000 -1.07623976680000 0.56478777920000
0.01417936550000 0.48282130690000 -0.22931093210000 0.32325596520000 -1.98991390600000 -0.81010482460000 1.79320481190000 -1.15786277730000 0.57507196850000 -0.30691958970000
-0.00325158210000 0.41250859540000 -0.06795062920000 0.43933349340000 3.08511742160000 0.81150911840000 -0.79148707710000 0.52813577330000 -0.26312654060000 0.14208656810000
-0.00093298350000 0.10064557770000 0.11027239350000 -1.86192410270000 -2.13198013580000 -0.41786464580000 0.30447541480000 -0.20886878860000 0.10479241320000 -0.05695623410000
-0.00000038830000 0.00175879680000 0.92624064670000 1.28916776340000 0.77622771400000 0.14548724420000 -0.09326201350000 0.06475735970000 -0.03264930550000 0.01779102490000
* f-type functions
10 10
168.94794411
57.52382417
23.75326800
10.74928132
5.01922914
2.33426055
1.05295979
0.44542378
0.16689626
0.06253452
0.00208471870000 -0.00190557820000 0.00139219740000 -0.00145226060000 0.00302293710000 -0.00646229310000 0.00375434920000 -0.03970306430000 0.23703296410000 -1.25876202690000
0.01633557310000 -0.01532550120000 0.01169679550000 -0.00879521590000 0.01259187050000 -0.02922455050000 0.12598029450000 0.10224440960000 1.28209737560000 1.42222051800000
0.06265955230000 -0.05745370770000 0.04080353160000 -0.04162020360000 0.08579228140000 -0.19833218270000 0.21757621020000 -1.74991290290000 -1.56802272500000 -1.19869982770000
0.16325899140000 -0.15324668830000 0.11923020820000 -0.08371326000000 0.10207669050000 -0.23922338390000 1.20092306270000 2.63824262770000 1.12583700740000 0.83788135380000
0.28365161550000 -0.23908853750000 0.18617791380000 -0.20777554340000 0.44887422200000 -0.69886073400000 -2.38340938440000 -2.16282147650000 -0.65020799050000 -0.50798403680000
0.34625001270000 -0.25849630020000 0.31322368630000 -0.02947278590000 -0.44486594200000 2.01884574780000 2.08091282620000 1.27938893320000 0.33688862100000 0.27459079530000
0.31029579130000 0.16174686560000 -0.79520014230000 0.71824153140000 -0.67359941980000 -2.03023901610000 -1.26577446300000 -0.62918402700000 -0.15860468150000 -0.13262739180000
0.19809137160000 0.54367725690000 -0.12452994330000 -0.61604505110000 1.38812301600000 1.36703192810000 0.63019091500000 0.27179277990000 0.06630603990000 0.05643637050000
0.04636904350000 0.37364362750000 0.75140556470000 -0.27984944910000 -1.34057243840000 -0.77711176980000 -0.27329799190000 -0.10734197530000 -0.02523115190000 -0.02180501740000
0.01479377160000 -0.00053078930000 0.14327020010000 0.97263334360000 0.84994035120000 0.30571025100000 0.09867839550000 0.03669750580000 0.00828738350000 0.00726249500000
* g-type functions
5 5
3.63843199
1.64665991
0.95762597
0.42868084
0.12582646
0.16357124560000 -0.34413047270000 0.53801481170000 -0.70009161010000 1.29319893100000
0.18024505410000 -0.38165796170000 0.41116293000000 0.26035603140000 -2.98717398540000
0.49236217220000 -0.14278556210000 -0.82942724730000 0.86472157870000 2.81142848220000
0.36674250660000 0.61909362580000 -0.00073490630000 -1.13691448450000 -1.15940635990000
0.09520091260000 0.40232585770000 0.69927929640000 0.71458352640000 0.32494110850000
* h-type functions
4 4
2.77405408
1.58598039
0.88401351
0.36980520
0.12056596250000 -0.94197178730000 1.26847488860000 -1.21570940730000
0.27672719690000 -0.00026241100000 -1.54057099130000 2.63396573400000
0.59863079340000 0.32703035830000 0.21220012490000 -2.32199987640000
0.19748131500000 0.37021319040000 0.70021275820000 1.08278942410000
/Nd.ANO-R.Zobel.25s19p12d10f5g4h.16s13p11d10f5g4h.
J.P. Zobel, P.-O. Widmark, V. Veryazov. J. Chem. Theory Comput. 16 (2020) 278-294. doi:10.1021/acs.jctc.9b00873
NEODYMIUM (25s,19p,12d,10f,5g,4h) -> [16s,13p,11d,10f,5g,4h]
60.0 5
* s-type functions
25 16
57001920.61800000
12271012.31600000
3081295.75740000
879020.81053000
278651.03516000
96367.48751100
35813.67808700
14128.01323900
5857.54326400
2531.98436310
1133.56148500
522.65103811
246.89839989
118.88677029
58.02788490
28.52418177
14.01050360
6.81007371
3.23668691
1.48215098
0.64226507
0.25771964
0.09331781
0.02957512
0.00937321
0.00020230290000 -0.00007980760000 0.00003950270000 -0.00001165030000 0.00000653880000 -0.00000194930000 0.00000479570000 -0.00000795830000 0.00001178390000 -0.00000639570000 0.00002057330000 -0.00004768450000 0.00006636100000 -0.00013854770000 0.00034761010000 -0.00214412640000
0.00057533730000 -0.00022709550000 0.00011242720000 -0.00003315710000 0.00001861040000 -0.00000554860000 0.00001365560000 -0.00002266520000 0.00003354210000 -0.00001811170000 0.00005786020000 -0.00013748870000 0.00017753590000 -0.00042951410000 -0.00022805060000 -0.00583663360000
0.00135797820000 -0.00053663830000 0.00026573450000 -0.00007838420000 0.00004399120000 -0.00001311340000 0.00003225290000 -0.00005351680000 0.00007927220000 -0.00004318910000 0.00013965260000 -0.00031782970000 0.00046658400000 -0.00089698830000 0.00375447700000 -0.00839317090000
0.00293809440000 -0.00116398010000 0.00057683150000 -0.00017015620000 0.00009550750000 -0.00002847980000 0.00007012990000 -0.00011642890000 0.00017218020000 -0.00009226400000 0.00029166020000 -0.00071939670000 0.00082585470000 -0.00243882170000 -0.00047511600000 0.11055726690000
0.00622841090000 -0.00247891380000 0.00122966500000 -0.00036296670000 0.00020366240000 -0.00006069230000 0.00014912750000 -0.00024733420000 0.00036691280000 -0.00020273660000 0.00066787960000 -0.00141968420000 0.00250657040000 -0.00330181220000 0.01111464250000 -0.36410370270000
0.01307223300000 -0.00524357810000 0.00260737030000 -0.00076967480000 0.00043204540000 -0.00012889760000 0.00031794930000 -0.00052830220000 0.00077940420000 -0.00040754050000 0.00124427390000 -0.00345147170000 0.00254523050000 -0.01396755640000 -0.00836349850000 0.77682599670000
0.02757967820000 -0.01120877810000 0.00558876120000 -0.00165300700000 0.00092696140000 -0.00027603660000 0.00067654260000 -0.00112068330000 0.00166943460000 -0.00095580320000 0.00329040520000 -0.00585742950000 0.01541529830000 -0.00784685450000 0.14051106800000 -1.88485642670000
0.05783709330000 -0.02403247210000 0.01206324070000 -0.00356849760000 0.00200325100000 -0.00059827690000 0.00148111500000 -0.00246570600000 0.00361823980000 -0.00179244230000 0.00503361960000 -0.01796615560000 0.00040106090000 -0.09055611850000 -0.18563099420000 3.96943004440000
0.11742615420000 -0.05084841340000 0.02575631370000 -0.00766219810000 0.00429073400000 -0.00127604720000 0.00311325240000 -0.00514488180000 0.00772855770000 -0.00471051950000 0.01738224380000 -0.02209754610000 0.10549586140000 0.01447971340000 0.89980541890000 -5.92396148100000
0.21625256300000 -0.10135496310000 0.05248408870000 -0.01565408560000 0.00878297000000 -0.00262802320000 0.00654925430000 -0.01094297310000 0.01590555610000 -0.00709234630000 0.01629229080000 -0.09484501540000 -0.08600101350000 -0.59045238130000 -1.49902981990000 3.26436061140000
0.31868049710000 -0.17434493860000 0.09352254620000 -0.02840369500000 0.01583811080000 -0.00469655140000 0.01134331920000 -0.01864736580000 0.02858546350000 -0.01981216300000 0.08234672010000 -0.04177353720000 0.67807730180000 0.51407392350000 5.18971107940000 2.61447075080000
0.29060087450000 -0.20106741120000 0.11517891810000 -0.03532386240000 0.01980316420000 -0.00597540360000 0.01532138850000 -0.02599187290000 0.03622730340000 -0.00821643180000 -0.02206281030000 -0.36967903590000 -1.11500934990000 -2.79269356070000 -1.241432163810e1 -6.17269495830000
0.10891983600000 -0.00469386890000 -0.00785603550000 0.00271983530000 -0.00173002010000 0.00069451840000 -0.00326190380000 0.00683202370000 -0.00427886090000 -0.02681327040000 0.20948705030000 0.59447544880000 3.15258895730000 9.98949205660000 17.16172102740000 6.33436060440000
0.02341348950000 0.44997160910000 -0.40961654330000 0.15191211020000 -0.08235871110000 0.02417390470000 -0.05632341070000 0.09101303910000 -0.15389606000000 0.15602346330000 -0.83275620600000 -0.26512472150000 -1.050745522840e1 -1.585186931960e1 -1.671458310360e1 -4.98570885570000
0.02053722190000 0.50338745250000 -0.66674905910000 0.27322402130000 -0.14993461410000 0.04588013190000 -0.12282685480000 0.21385527050000 -0.29182385230000 -0.00056915850000 0.67415019110000 4.37649256160000 18.84534596100000 15.92355222400000 13.18629968030000 3.51623948280000
0.00434513170000 0.13436480010000 0.15739924220000 -0.09000129760000 0.05143214170000 -0.01767028890000 0.06288264620000 -0.12277625560000 0.11709208060000 0.28743391370000 -2.13592689290000 -1.275928983470e1 -2.122742024540e1 -1.228114719400e1 -9.16434169040000 -2.34653363850000
0.00174598480000 0.05207853190000 1.01680963980000 -0.91725243760000 0.50715452740000 -0.15017703280000 0.36203737790000 -0.61778279550000 1.32255807610000 -1.57150965920000 8.27325662760000 17.39089534090000 17.48093917760000 8.09552309140000 5.85390082160000 1.49134059040000
0.00011812140000 0.01352476750000 0.29726493910000 -0.14642589840000 0.08656414000000 -0.03517893120000 0.13581087350000 -0.23331944020000 -0.41795831410000 1.93860835160000 -1.478816837880e1 -1.513033149810e1 -1.158329952180e1 -4.81199104780000 -3.47950555140000 -0.89185335590000
0.00020866900000 0.00122361010000 -0.11547045110000 1.05951287910000 -0.84791950930000 0.29607832620000 -1.08370782110000 2.25788540470000 -4.16678771840000 0.07113396070000 15.76197342030000 9.86079571900000 6.56476623180000 2.62896373640000 1.91761393410000 0.49475597440000
-0.00006110590000 -0.00022698360000 -0.04011170380000 0.36217520060000 -0.47219632450000 0.14030608240000 0.25169384580000 -1.43829270700000 7.66915393730000 -2.87942932500000 -1.186266651490e1 -5.32602155890000 -3.31204214830000 -1.32296230060000 -0.97297170900000 -0.25213979030000
0.00003733650000 0.00023453860000 0.00113970430000 0.01264211210000 0.91754938870000 -0.35550674980000 1.16589752540000 -2.03933326790000 -6.80275110750000 4.50760613180000 7.08605978250000 2.54089727640000 1.52365294570000 0.61250993750000 0.45293318360000 0.11766045900000
-0.00001587470000 -0.00005636230000 0.00001034640000 0.01827409810000 0.55023263690000 -0.54833863430000 -0.13300415710000 3.67697755200000 3.49829040010000 -4.72235895320000 -3.65911412330000 -1.11190162060000 -0.64763309970000 -0.26146657260000 -0.19390363010000 -0.05042968000000
0.00000638070000 0.00003343960000 0.00015638220000 -0.00244369990000 -0.00359513290000 0.45532870800000 -1.65257887390000 -2.36812390380000 -0.60169985340000 4.14897073270000 1.74946789650000 0.45755051410000 0.25667905180000 0.10356346180000 0.07688849850000 0.02000583170000
-0.00000241030000 -0.00001361100000 -0.00008809180000 0.00080365860000 0.03350870030000 0.84192900140000 0.93974760820000 0.36015619780000 -0.78881436860000 -3.30628913550000 -0.83788895700000 -0.18312512590000 -0.09638317190000 -0.03863541200000 -0.02868475110000 -0.00746404780000
0.00000069550000 0.00000367590000 0.00001772460000 -0.00029473600000 -0.00261992500000 0.01065279910000 0.33775112170000 0.50370281280000 0.75211521840000 1.78062133800000 0.32604007230000 0.05903320330000 0.02839202840000 0.01124671160000 0.00834475690000 0.00217106980000
* p-type functions
19 13
1188695.82630000
191373.77258000
42284.49188500
11914.26669000
4031.31183130
1560.82264310
665.70110235
303.73427295
145.00156441
71.23972575
35.57157285
17.87131651
8.95220864
4.42793318
2.13698997
0.99071435
0.43207410
0.17241799
0.06880293
0.00004737300000 -0.00003731330000 0.00001128120000 -0.00000440140000 0.00000312230000 -0.00000594880000 0.00000821980000 -0.00001067330000 0.00002536520000 -0.00004190830000 0.00007181450000 -0.00012635570000 0.00054138210000
0.00019294420000 -0.00015221380000 0.00004606180000 -0.00001797250000 0.00001272920000 -0.00002427210000 0.00003397110000 -0.00004415360000 0.00009499300000 -0.00018569710000 0.00018772470000 -0.00078316950000 -0.00074331430000
0.00077909260000 -0.00061591000000 0.00018671260000 -0.00007284440000 0.00005177210000 -0.00009855770000 0.00013421420000 -0.00017421000000 0.00046056610000 -0.00063110460000 0.00168673780000 -0.00137028780000 0.01068464130000
0.00291773760000 -0.00231570010000 0.00070335590000 -0.00027445990000 0.00019394510000 -0.00037028290000 0.00052832030000 -0.00068730150000 0.00126059530000 -0.00319498650000 0.00065638520000 -0.01667452410000 -0.02214932460000
0.01037003030000 -0.00828421250000 0.00253001750000 -0.00098709990000 0.00070341280000 -0.00133771900000 0.00178429340000 -0.00231756970000 0.00704066870000 -0.00743059360000 0.03263922770000 -0.00997263470000 0.23700532120000
0.03359267440000 -0.02719765280000 0.00836775690000 -0.00326576480000 0.00230279130000 -0.00440312300000 0.00640956770000 -0.00835092770000 0.01284985780000 -0.04315974010000 -0.01484353220000 -0.27252564980000 -0.23836373560000
0.09432167950000 -0.07832233930000 0.02454653410000 -0.00957981010000 0.00684681650000 -0.01301530880000 0.01702884100000 -0.02218590530000 0.07699816990000 -0.06574807870000 0.42334889580000 -0.08067554980000 2.83475230850000
0.20902363620000 -0.18094543000000 0.05809401550000 -0.02268960670000 0.01595474970000 -0.03059751360000 0.04596127970000 -0.06015666440000 0.06875854540000 -0.36083067370000 -0.36369090290000 -2.20679492620000 -6.38382399150000
0.32111097940000 -0.29206667830000 0.09722132280000 -0.03798767200000 0.02741879810000 -0.05197367750000 0.06310022570000 -0.08239532930000 0.41206550270000 -0.09199937290000 2.51766122480000 6.18828519680000 7.85697479760000
0.27543502820000 -0.20097281380000 0.05411044940000 -0.02096283550000 0.01375752390000 -0.02709985260000 0.06039348810000 -0.07593066880000 -0.44553388050000 -0.54417668820000 -7.23332152790000 -8.03317641020000 -7.02912656250000
0.14800026760000 0.23642355290000 -0.17171103720000 0.06938067330000 -0.04761313570000 0.09541823510000 -0.19615532960000 0.27006402550000 0.23314686730000 4.61997094200000 10.31377602890000 7.18531063920000 5.24006713500000
0.12807655010000 0.57840944330000 -0.43049071660000 0.17757605070000 -0.13572237040000 0.26470280960000 -0.28222095130000 0.43513179060000 -2.90096104870000 -8.54910856900000 -9.74413958620000 -5.20948529670000 -3.50847714200000
0.06027732840000 0.28317005360000 -0.06517565170000 0.01066676500000 0.00818110610000 -0.02119712770000 -0.13906314080000 -0.02765873610000 7.08734965460000 8.93040630200000 7.05230011450000 3.31430764690000 2.18037301980000
0.00387766690000 0.00658166580000 0.62921227820000 -0.33568814150000 0.25314730210000 -0.61586418380000 1.72618802540000 -2.97962284830000 -8.45617428770000 -6.69666315800000 -4.26681887920000 -1.91658606430000 -1.26381918960000
-0.00026599320000 -0.01067672190000 0.49265188620000 -0.30679084400000 0.27063349040000 -0.34461556380000 -1.53445035840000 5.78015981580000 6.61456711980000 4.04025968320000 2.27761705310000 1.01736365070000 0.67738116670000
-0.00034683150000 -0.00291242930000 0.06559538280000 0.30126135380000 -0.56317016020000 1.66016491560000 -0.91551122220000 -5.91489964020000 -3.93376268380000 -2.08466686820000 -1.09998661530000 -0.49405564420000 -0.33173034090000
0.00009669260000 0.00040384770000 0.00371248370000 0.68432801280000 -0.35644194980000 -0.63025298710000 2.72925196230000 4.21197721420000 1.93999709650000 0.94962800480000 0.48259981830000 0.21772615070000 0.14692244200000
-0.00004165170000 -0.00019015230000 -0.00033320260000 0.24499120490000 0.31213149600000 -1.18573786420000 -2.63254077860000 -2.33088554130000 -0.83360682430000 -0.38883836630000 -0.19237679910000 -0.08686769530000 -0.05874790780000
0.00001283880000 0.00005895460000 0.00016023900000 0.00032394220000 0.81118718150000 1.15675378800000 1.22098740910000 0.83700171530000 0.26072540050000 0.11852761420000 0.05764431080000 0.02600670080000 0.01759988400000
* d-type functions
12 11
3494.71538550
980.69256718
360.40235281
154.73719530
72.20679775
35.12766977
17.42169615
8.68232483
4.27126456
2.00788969
0.85069659
0.36042054
0.00046382030000 -0.00020915290000 0.00006757200000 -0.00010563280000 0.00011845230000 -0.00069580480000 0.00038693070000 -0.00361782070000 0.00255936460000 -0.04293055570000 0.08876856980000
0.00393113840000 -0.00178754930000 0.00062176470000 -0.00090332670000 0.00192272850000 -0.00149844580000 0.01204248860000 0.00388592220000 -0.08029940560000 0.03232190350000 -1.64497919900000
0.02169753890000 -0.00990332410000 0.00322212850000 -0.00499219830000 0.00591961290000 -0.03181823280000 0.02378846060000 -0.16898529150000 -0.00985510720000 -1.95344197690000 2.14101003000000
0.08095747470000 -0.03762602670000 0.01311259980000 -0.01899787130000 0.04031725400000 -0.03402275570000 0.26971190860000 0.01981526160000 -2.11044838710000 3.22832991350000 -2.02891261530000
0.21204123020000 -0.09978737670000 0.03230559650000 -0.05047970860000 0.05455198990000 -0.34861716000000 0.24284050360000 -2.02212561650000 4.02918728380000 -3.22299326340000 1.66268203980000
0.36870734400000 -0.17075208880000 0.06137903540000 -0.08882974590000 0.22827930160000 0.07879434710000 1.13744895230000 4.57258633660000 -4.13717416640000 2.52340435290000 -1.23111236100000
0.36982266080000 -0.12961875070000 0.03206398200000 -0.07071438530000 -0.04558544580000 -1.00354838230000 -3.70440524930000 -5.09827089730000 3.11810539970000 -1.71170503470000 0.83568981710000
0.15217407810000 0.17407386590000 -0.05271549400000 0.10235260450000 0.15153525240000 3.46437977080000 4.28843550320000 3.81446913010000 -1.94480488690000 1.03804290660000 -0.51549440310000
0.01449696480000 0.48442741740000 -0.23180132420000 0.36849486570000 -1.94517976030000 -4.12073658560000 -3.00266121800000 -2.16111309560000 1.03775517210000 -0.55487807170000 0.28018025060000
-0.00289019340000 0.41017487670000 -0.06564846530000 0.35253422540000 3.07308005930000 2.63962153330000 1.51986288510000 0.98305963840000 -0.46990249740000 0.25359074030000 -0.12952254100000
-0.00083022730000 0.09913648210000 0.11967876680000 -1.79775948980000 -2.17031031190000 -1.19489835030000 -0.62115263000000 -0.38406451080000 0.18530532460000 -0.10083099120000 0.05182826480000
0.00000712690000 0.00173859340000 0.91879792500000 1.27043255350000 0.80679539690000 0.39097449740000 0.19197433730000 0.11826765720000 -0.05748056160000 0.03141959550000 -0.01619062090000
* f-type functions
10 10
181.68318382
61.93902909
25.65919678
11.65787602
5.46542742
2.55155704
1.15527040
0.49057893
0.18459266
0.06945763
0.00204643570000 -0.00185243190000 0.00152550510000 -0.00121300580000 0.00347350380000 -0.00604822780000 0.00293713690000 -0.05470851010000 0.05033343740000 -1.28152360860000
0.01619082250000 -0.01495255000000 0.01314429290000 -0.00846569290000 0.01758059690000 -0.02529223370000 0.13256152510000 -0.03735379270000 1.48213962640000 1.23467783890000
0.06261380310000 -0.05695816960000 0.04614405810000 -0.03603590590000 0.10212255510000 -0.18405298460000 0.15654368490000 -1.59857811980000 -1.91279032840000 -0.96669052150000
0.16390956130000 -0.15136710280000 0.13448033840000 -0.08378103490000 0.15502399610000 -0.20466677920000 1.30227583600000 2.50186431950000 1.51265814370000 0.66643243350000
0.28626753140000 -0.23694411040000 0.19180988400000 -0.16087857590000 0.46573376170000 -0.70997028920000 -2.48256343840000 -2.04884340920000 -0.93787055790000 -0.40740544340000
0.34859660270000 -0.23485005430000 0.28080347160000 -0.05430541520000 -0.52733101430000 2.05775207010000 2.12646151110000 1.20346552400000 0.50136979960000 0.22252338430000
0.30836839050000 0.14572662940000 -0.73545527930000 0.59763586510000 -0.66276551310000 -2.16090454320000 -1.25038431910000 -0.58596424480000 -0.23856818280000 -0.10826617110000
0.19215882570000 0.53173272500000 -0.17834062630000 -0.36520403520000 1.40349542360000 1.49303316440000 0.59614539920000 0.24991733850000 0.10056214640000 0.04629849140000
0.04073138440000 0.39749154440000 0.71990618100000 -0.54351712200000 -1.25354483610000 -0.84188641620000 -0.24713172220000 -0.09741781520000 -0.03870892770000 -0.01795731520000
0.01301223920000 0.01205145000000 0.20031509060000 1.08883017310000 0.68380054230000 0.32638490860000 0.08438302320000 0.03273273200000 0.01284186280000 0.00599323600000
* g-type functions
5 5
4.34308566
1.95485541
1.08245738
0.50478845
0.16224566
0.17023926500000 -0.41540789140000 0.49281542570000 -0.64691694110000 1.27563986070000
0.19310594250000 -0.38269649310000 0.35733014620000 0.20050575780000 -2.76563030060000
0.46536516910000 -0.11837495120000 -0.86020278320000 0.96516023640000 2.64279627550000
0.37418392220000 0.61892681890000 0.07153446170000 -1.26465143290000 -1.21700815430000
0.10508885180000 0.32023196690000 0.72639162510000 0.78471124410000 0.36236052330000
* h-type functions
4 4
3.39203587
1.85678928
1.08840744
0.48042741
0.12561360280000 -0.56572036450000 1.29695590800000 -1.27289627810000
0.19346143170000 -0.39412557200000 -1.13334016980000 2.95963083220000
0.60110246610000 0.19702178560000 -0.18648688030000 -2.66501452050000
0.27992495640000 0.61910674080000 0.67290255040000 1.08822932070000
/Pm.ANO-R.Zobel.25s19p12d10f5g4h.17s13p11d10f5g4h.
J.P. Zobel, P.-O. Widmark, V. Veryazov. J. Chem. Theory Comput. 16 (2020) 278-294. doi:10.1021/acs.jctc.9b00873
PROMETHIUM (25s,19p,12d,10f,5g,4h) -> [17s,13p,11d,10f,5g,4h]
61.0 5
* s-type functions
25 17
57275336.34100000
12438481.16400000
3145499.69960000
902312.64378000
287232.57024000
99636.79225100
37106.17359100
14657.81887900
6082.27532360
2630.43601630
1178.02771610
543.31957089
256.76230649
123.70332387
60.42169218
29.72591115
14.61356415
7.10847146
3.37973462
1.54712400
0.66943690
0.26778970
0.09644539
0.03031214
0.00952690
0.00021353700000 -0.00008470500000 0.00004196740000 -0.00001249160000 0.00000695570000 -0.00000205000000 0.00000494070000 -0.00000878040000 0.00001276880000 -0.00000691920000 0.00002099740000 -0.00005126710000 0.00007022960000 -0.00015165530000 0.00084766340000 -0.01106853850000 0.01495975560000
0.00060491100000 -0.00024009180000 0.00011897710000 -0.00003541340000 0.00001972010000 -0.00000581260000 0.00001401360000 -0.00002490750000 0.00003619220000 -0.00001950320000 0.00005880060000 -0.00014715250000 0.00018710870000 -0.00044717490000 -0.00166152830000 0.03954738160000 -0.04630684820000
0.00141788810000 -0.00056342970000 0.00027927470000 -0.00008313980000 0.00004629260000 -0.00001364220000 0.00003287130000 -0.00005841310000 0.00008499390000 -0.00004624550000 0.00014102250000 -0.00033818870000 0.00048883660000 -0.00094975210000 0.00558001220000 -0.12132712100000 0.09858030920000
0.00304678960000 -0.00121380730000 0.00060212570000 -0.00017926250000 0.00009982550000 -0.00002942880000 0.00007098660000 -0.00012619180000 0.00018316750000 -0.00009789750000 0.00029224380000 -0.00075867260000 0.00085863460000 -0.00255644680000 -0.00277837210000 0.32012334070000 -0.16756072510000
0.00641572730000 -0.00256795240000 0.00127513090000 -0.00037986420000 0.00021146740000 -0.00006229980000 0.00014997690000 -0.00026643340000 0.00038851850000 -0.00021460360000 0.00066591640000 -0.00149387040000 0.00259155160000 -0.00358146280000 0.02143612000000 -0.79803356580000 0.34404438080000
0.01337369720000 -0.00539553570000 0.00268581080000 -0.00080019370000 0.00044563560000 -0.00013144260000 0.00031756110000 -0.00056485870000 0.00081697380000 -0.00042525190000 0.00122848350000 -0.00358114300000 0.00260928160000 -0.01368261250000 -0.04484585380000 1.80174422410000 -1.29652659660000
0.02802693680000 -0.01145798270000 0.00571935380000 -0.00170721860000 0.00094987010000 -0.00027962520000 0.00067159620000 -0.00119207590000 0.00174869240000 -0.00100332040000 0.00324400330000 -0.00611983800000 0.01575256340000 -0.01046027360000 0.16890891020000 -4.18907168550000 2.09473391750000
0.05839875320000 -0.02441250080000 0.01226886870000 -0.00366317660000 0.00204022170000 -0.00060243090000 0.00146033980000 -0.00260117280000 0.00373253480000 -0.00183114060000 0.00488200850000 -0.01831991350000 0.00030950240000 -0.08700456840000 -0.11341970190000 8.47794991170000 -1.23640595360000
0.11788943790000 -0.05135516620000 0.02604459630000 -0.00781871360000 0.00434455120000 -0.00127720080000 0.00305465220000 -0.00541303610000 0.00803447800000 -0.00492841870000 0.01700093250000 -0.02311075120000 0.10688303540000 0.00653089930000 0.67324114020000 -1.124136040670e1 -2.50120877950000
0.21611279620000 -0.10185097730000 0.05281116110000 -0.01589791580000 0.00885054820000 -0.00261860210000 0.00638704000000 -0.01140821470000 0.01613675690000 -0.00703073020000 0.01534884540000 -0.09521561240000 -0.08805899770000 -0.58728846950000 -0.99311370640000 10.87134332980000 8.82931147380000
0.31764101490000 -0.17447114840000 0.09369175760000 -0.02870446940000 0.01588725070000 -0.00465622290000 0.01103225100000 -0.01947891150000 0.02973264040000 -0.02088624360000 0.08038808060000 -0.04602160290000 0.68272458860000 0.50867905910000 4.38807616940000 -9.10930431530000 -1.394474526460e1
0.28993663780000 -0.20058025570000 0.11499838040000 -0.03558298850000 0.01980014020000 -0.00591065140000 0.01480607800000 -0.02675121940000 0.03548463600000 -0.00651085470000 -0.02467618750000 -0.36413651010000 -1.12898062530000 -2.76062318730000 -1.155979805430e1 7.28104225880000 14.88387351270000
0.10943351360000 -0.00423184760000 -0.00857486280000 0.00304686240000 -0.00189280400000 0.00074478060000 -0.00319520110000 0.00676809180000 -0.00101867640000 -0.03184464110000 0.20961181060000 0.57769527160000 3.16863207850000 9.95551434150000 16.48980909470000 -5.66977333410000 -1.270754247390e1
0.02377532010000 0.44925754150000 -0.41044424300000 0.15334676030000 -0.08266928130000 0.02397225980000 -0.05497324890000 0.09610186340000 -0.16619739850000 0.17062598170000 -0.81746685200000 -0.18997737640000 -1.053766530490e1 -1.586382577810e1 -1.627049221370e1 4.28041153070000 9.64133829580000
0.02083134250000 0.50332724790000 -0.66850910250000 0.27620449420000 -0.15071682860000 0.04566020290000 -0.11910441120000 0.22008100130000 -0.27908907780000 -0.02536417440000 0.69050278780000 4.24679655990000 18.95003298290000 15.97972443240000 12.90522887280000 -3.10952755360000 -6.86843739610000
0.00441380710000 0.13484604190000 0.16069993840000 -0.09378310190000 0.05323702170000 -0.01813550430000 0.06102964340000 -0.12276579390000 0.07445968720000 0.35067026240000 -2.19901741610000 -1.262804136440e1 -2.142840203300e1 -1.234411713560e1 -8.98063092590000 2.15332455430000 4.66768842430000
0.00169883750000 0.05191089750000 1.01918198080000 -0.92561872000000 0.50982396300000 -0.14918613080000 0.35570772280000 -0.66356442830000 1.47809477650000 -1.75923465990000 8.32214150970000 17.26124735980000 17.71062254010000 8.13840955030000 5.73050321390000 -1.40431862340000 -3.00654510210000
0.00009944090000 0.01334249850000 0.29359063110000 -0.13427869930000 0.07812040560000 -0.03263143600000 0.12037496550000 -0.19475187530000 -0.69892269710000 2.33018760180000 -1.482702569150e1 -1.497810689050e1 -1.176123593250e1 -4.83046584280000 -3.39762741340000 0.85146769270000 1.81019189260000
0.00022028810000 0.00069782850000 -0.11531339680000 1.06064485270000 -0.84551483380000 0.29318446270000 -1.04401834440000 2.30635274620000 -3.88238888900000 -0.49190390600000 15.85621554110000 9.70488598410000 6.66509188120000 2.63090813500000 1.86562036420000 -0.47478091750000 -1.00570376540000
-0.00005784150000 -0.00038989530000 -0.03964285050000 0.35774688970000 -0.46253234210000 0.13405715750000 0.26363027880000 -1.53504647520000 7.52259306200000 -2.29349728370000 -1.201007858520e1 -5.20295685470000 -3.35386010670000 -1.31786697960000 -0.94203873720000 0.24185956430000 0.51140893880000
0.00003725050000 0.00021909980000 0.00093389710000 0.01208171940000 0.91206137690000 -0.34728996250000 1.06804883200000 -1.95778321780000 -6.82011703590000 4.04583794520000 7.23110240160000 2.46213040270000 1.53555060620000 0.60662043670000 0.43598103830000 -0.11244047400000 -0.23755789880000
-0.00001564430000 -0.00006498470000 -0.00015148630000 0.01751835250000 0.55250642610000 -0.55055479990000 -0.03317110110000 3.59031891390000 3.60005824040000 -4.43633085150000 -3.77103081460000 -1.06841758400000 -0.64876471210000 -0.25727691360000 -0.18544845680000 0.04792883320000 0.10122442990000
0.00000626590000 0.00003335410000 0.00016338370000 -0.00224555080000 -0.00411934100000 0.46572802410000 -1.68758781780000 -2.28635743320000 -0.71393593250000 4.00552290970000 1.82973646970000 0.43611712360000 0.25556820620000 0.10126098630000 0.07307980250000 -0.01890442860000 -0.03991947340000
-0.00000235700000 -0.00001330830000 -0.00008515940000 0.00088416770000 0.03075977300000 0.83893383820000 0.93193832030000 0.34511156870000 -0.69056192610000 -3.24818476480000 -0.89782271400000 -0.17348651270000 -0.09559342420000 -0.03761850660000 -0.02715524380000 0.00702706090000 0.01483768310000
0.00000068160000 0.00000370350000 0.00001966190000 -0.00027752080000 -0.00279588040000 0.00451227190000 0.35843317950000 0.48148892760000 0.70043920760000 1.77282063860000 0.35961183440000 0.05586721310000 0.02819022540000 0.01095770160000 0.00790723930000 -0.00204643050000 -0.00432092090000
* p-type functions
19 13
1272400.35740000
204720.50055000
45114.52766900
12666.07456900
4269.48666590
1647.32153120
700.60720707
319.00013626
152.08823160
74.66874419
37.27262938
18.72314241
9.37636152
4.63472132
2.23404457
1.03371606
0.44964543
0.17886003
0.07114697
0.00004770100000 -0.00003828050000 0.00001150160000 -0.00000446340000 0.00000333930000 -0.00000611720000 0.00000855730000 -0.00001092900000 0.00002373360000 -0.00004333010000 0.00007248200000 -0.00015595810000 0.00145963670000
0.00019320750000 -0.00015529930000 0.00004670460000 -0.00001812610000 0.00001354180000 -0.00002483170000 0.00003512030000 -0.00004472920000 0.00008728750000 -0.00019045760000 0.00019159690000 -0.00071478370000 -0.00842549480000
0.00077477670000 -0.00062406970000 0.00018801920000 -0.00007296230000 0.00005467810000 -0.00010006130000 0.00013823230000 -0.00017725510000 0.00043090990000 -0.00064626280000 0.00166970860000 -0.00179820350000 0.00928567870000
0.00288125060000 -0.00232997360000 0.00070337460000 -0.00027300310000 0.00020354100000 -0.00037381240000 0.00053769910000 -0.00068159570000 0.00111046140000 -0.00322751450000 0.00071978840000 -0.01570532490000 -0.04419847520000
0.01019166140000 -0.00829534910000 0.00251806370000 -0.00097717720000 0.00073408450000 -0.00134156880000 0.00181978660000 -0.00235032280000 0.00662051490000 -0.00751948310000 0.03200947310000 -0.01530238480000 -0.04100274570000
0.03295302130000 -0.02718031560000 0.00831248930000 -0.00322686370000 0.00240118730000 -0.00441795130000 0.00647048680000 -0.00816753580000 0.01073627660000 -0.04331553660000 -0.01434120450000 -0.26513176920000 0.27565776090000
0.09261740690000 -0.07832902650000 0.02440469870000 -0.00947318160000 0.00713642630000 -0.01303175300000 0.01737853090000 -0.02266055590000 0.07317779910000 -0.06613414910000 0.41573173730000 -0.11153590700000 -3.14068548110000
0.20593692670000 -0.18152896970000 0.05795663670000 -0.02251416780000 0.01671332670000 -0.03085700410000 0.04648817170000 -0.05846568200000 0.05164568430000 -0.36334917180000 -0.35624363950000 -2.14372543160000 6.76536706090000
0.31820268570000 -0.29469060250000 0.09759206600000 -0.03792452930000 0.02883156160000 -0.05244602100000 0.06557664460000 -0.08790868400000 0.40713884720000 -0.09771725820000 2.53250743500000 6.08595652760000 -8.20662404490000
0.27571732080000 -0.20666489240000 0.05574391620000 -0.02149488970000 0.01501543150000 -0.02869383170000 0.06084092560000 -0.06566819840000 -0.47142926290000 -0.58445840130000 -7.24404307260000 -7.90628658020000 7.31870445410000
0.15117206640000 0.23222020510000 -0.17116929880000 0.06877802030000 -0.05007297390000 0.09709007790000 -0.19460077370000 0.23992579810000 0.45120504880000 4.69319076230000 10.27446702910000 7.06374068610000 -5.46156105960000
0.13287762920000 0.57941712480000 -0.43352858700000 0.17771479820000 -0.14306460480000 0.26712301750000 -0.30573317160000 0.52033320100000 -3.27854026470000 -8.47325836280000 -9.65371640910000 -5.11257553060000 3.66216100280000
0.06269363060000 0.28416599980000 -0.06408178590000 0.01002341520000 0.00833301180000 -0.01807510320000 -0.11229526570000 -0.20448965760000 7.46366255240000 8.62508406350000 6.94654672200000 3.24575580820000 -2.27603197830000
0.00387105470000 0.00604844980000 0.63210184360000 -0.33502461530000 0.27317282600000 -0.64482817800000 1.75603069870000 -2.73020159580000 -8.76031069290000 -6.31248745110000 -4.17794369960000 -1.87207049650000 1.31710862270000
-0.00036180340000 -0.01096483050000 0.49059613120000 -0.30180148230000 0.26873383740000 -0.28855873110000 -1.65266559280000 5.55895410390000 6.84238816250000 3.74069409790000 2.21764820550000 0.99077415790000 -0.70402771610000
-0.00037444740000 -0.00293108110000 0.06479069050000 0.29918862670000 -0.59755749960000 1.62210100750000 -0.75379278680000 -5.80299407610000 -4.08645550230000 -1.90937296730000 -1.06587583850000 -0.47973122880000 0.34379440810000
0.00010199630000 0.00040402050000 0.00356285480000 0.68208657970000 -0.33710376460000 -0.64913275180000 2.60322773870000 4.19193105580000 2.02769456100000 0.86475767480000 0.46595607860000 0.21094551110000 -0.15194641940000
-0.00004374810000 -0.00018947010000 -0.00034263280000 0.24797047930000 0.33384012010000 -1.14957945070000 -2.57237752580000 -2.34588692790000 -0.87662617730000 -0.35311459410000 -0.18538396620000 -0.08409644640000 0.06072023680000
0.00001349750000 0.00005870650000 0.00015799810000 0.00006508540000 0.78588142620000 1.15885767940000 1.20574887230000 0.84855663400000 0.27546940500000 0.10761236240000 0.05556426090000 0.02520379900000 -0.01821296700000
* d-type functions
12 11
3673.02732440
1028.55461040
377.45299955
161.94339962
75.56673414
36.78075828
18.25686035
9.10668728
4.48272505
2.10706396
0.89155041
0.37723683
0.00046257110000 -0.00020975220000 0.00006881790000 -0.00010937890000 0.00013201210000 -0.00068701130000 0.00037741270000 -0.00374106870000 0.00285628050000 -0.05699595880000 0.09702088810000
0.00390479360000 -0.00178551060000 0.00062891130000 -0.00092830560000 0.00189197420000 -0.00177432100000 0.01241251790000 0.00759228690000 -0.08463371780000 0.44379772440000 -1.59722608620000
0.02155800670000 -0.00989534570000 0.00326795490000 -0.00515099670000 0.00647629820000 -0.03145044930000 0.02400406410000 -0.16838529170000 0.01809765190000 -2.42807403600000 1.57893855950000
0.08060354710000 -0.03767732580000 0.01329756230000 -0.01958246140000 0.03986671040000 -0.03985482970000 0.27736431340000 0.09257505110000 -2.16021964360000 3.60203805450000 -1.14593565620000
0.21165617910000 -0.10020084440000 0.03293682670000 -0.05234334180000 0.06137095600000 -0.34819393540000 0.23096764060000 -2.16113660450000 4.01599465060000 -3.48366075510000 0.79382165590000
0.36898437220000 -0.17195830560000 0.06254221630000 -0.09173861920000 0.22028010900000 0.03429952600000 1.12738591270000 4.73231278430000 -4.02735739710000 2.70329100740000 -0.55274657280000
0.37014266050000 -0.12992480780000 0.03294957160000 -0.07353810390000 -0.01624719790000 -0.87913276830000 -3.71870533030000 -5.25212782010000 2.96679162130000 -1.83385369670000 0.37461849680000
0.15189853810000 0.17651724300000 -0.05509288370000 0.11147092400000 0.07090821000000 3.33116749100000 4.38044352940000 3.93959434060000 -1.81739990060000 1.11449837950000 -0.23496035610000
0.01428489100000 0.48546402340000 -0.23501509010000 0.38788884780000 -1.84170526770000 -4.06723120370000 -3.11998051630000 -2.24153337940000 0.95899474410000 -0.59628814970000 0.12971779160000
-0.00298459930000 0.40816178440000 -0.06733340520000 0.29842750750000 3.01481628680000 2.64903625640000 1.59756988150000 1.02271997380000 -0.43157547410000 0.27224953340000 -0.06053233860000
-0.00084226370000 0.09821241830000 0.13993906780000 -1.75393918460000 -2.17119369870000 -1.21014771650000 -0.65698595220000 -0.40003950100000 0.16968049040000 -0.10808920840000 0.02432966350000
0.00001203960000 0.00177351500000 0.90397515290000 1.26393866960000 0.81937971660000 0.39658334520000 0.20387758190000 0.12331529400000 -0.05264490930000 0.03368877120000 -0.00762060760000
* f-type functions
10 10
193.62789937
66.04509455
27.40828398
12.48219919
5.86631935
2.74448219
1.24436117
0.52865395
0.19880091
0.07475930
0.00202294620000 -0.00184312740000 0.00171709550000 -0.00146468780000 0.00370927560000 -0.00559325090000 0.00407707970000 -0.05004790960000 0.01636232000000 -1.28366367030000
0.01612840270000 -0.01489850350000 0.01468135820000 -0.01030490610000 0.02083987140000 -0.02778035290000 0.12531591190000 0.04613679130000 1.52168929670000 1.19690582860000
0.06285099920000 -0.05758689260000 0.05316950920000 -0.04450523220000 0.11240940710000 -0.17465561490000 0.20360058710000 -1.70307919230000 -1.86348121140000 -0.92530317850000
0.16484956150000 -0.15227734420000 0.15057325430000 -0.10330635950000 0.19319130520000 -0.24454845910000 1.21254042120000 2.63758192670000 1.41466781270000 0.63931730950000
0.28804987510000 -0.23886422720000 0.20783096830000 -0.18805209970000 0.45171220710000 -0.56000538240000 -2.46636309350000 -2.19896529470000 -0.85674263150000 -0.39296590190000
0.34911196510000 -0.21659684700000 0.22796110220000 -0.01474882350000 -0.66630253490000 1.93150527940000 2.19200774910000 1.31867958900000 0.45420061590000 0.21521245600000
0.30703048890000 0.14302875250000 -0.67656372940000 0.65182780440000 -0.44300890480000 -2.18370177700000 -1.31082872330000 -0.65002371790000 -0.21566231640000 -0.10466263140000
0.18885507470000 0.51808402250000 -0.19458812100000 -0.42245356660000 1.27466426110000 1.58044040060000 0.62662520090000 0.27823850490000 0.09074870850000 0.04467211380000
0.04199187590000 0.39537090900000 0.63825281380000 -0.54997401700000 -1.23769413620000 -0.91708918450000 -0.26034795180000 -0.10833830460000 -0.03485289590000 -0.01729455980000
0.00374868920000 0.05597099340000 0.29523532770000 1.03825916370000 0.69986581500000 0.37384895890000 0.08639154860000 0.03606111880000 0.01152922570000 0.00576989520000
* g-type functions
5 5
4.48491511
1.76259635
0.65034793
0.20441306
0.07003557
0.19248787090000 -0.53195083470000 0.57509431270000 -0.77532141620000 0.57283913980000
0.45633797790000 -0.42034894520000 -0.28244452470000 0.97625815060000 -0.90066370930000
0.55175837000000 0.59083621870000 -0.42168239880000 -0.53941911960000 0.89445047270000
0.10708777930000 0.33471727030000 0.78383117310000 -0.12503464300000 -0.96644804460000
0.00354059800000 0.02245083060000 0.22553871390000 0.72513711920000 0.87060315400000
* h-type functions
4 4
3.76343313
1.48791062
0.60041911
0.23750431
0.15529171430000 -0.73539277050000 0.84732608300000 -0.40884855950000
0.63644020800000 -0.18355340790000 -1.04963604970000 0.74860405970000
0.41479744830000 0.70368766020000 0.56047075240000 -1.05856315590000
0.01872968010000 0.02861681440000 0.38627158440000 1.14040851460000
/Sm.ANO-R.Zobel.25s19p12d10f5g4h.17s13p12d10f5g4h.
J.P. Zobel, P.-O. Widmark, V. Veryazov. J. Chem. Theory Comput. 16 (2020) 278-294. doi:10.1021/acs.jctc.9b00873
SAMARIUM (25s,19p,12d,10f,5g,4h) -> [17s,13p,12d,10f,5g,4h]
62.0 5
* s-type functions
25 17
56819909.79700000
12481924.52400000
3183540.68580000
918910.42418000
293807.87238000
102230.05602000
38151.96943600
15092.88959600
6269.49788770
2713.77761600
1216.35066670
561.47436967
265.58827994
128.08294704
62.62434165
30.83877659
15.17222207
7.38335989
3.51012113
1.60552063
0.69349849
0.27660872
0.09919093
0.03098819
0.00968101
0.00023284340000 -0.00007241280000 0.00004258970000 -0.00001897480000 0.00000712360000 -0.00000207880000 0.00000417270000 -0.00000980240000 0.00000609310000 -0.00001371590000 0.00002004740000 -0.00004344420000 0.00005389030000 -0.00004735040000 0.00049944710000 -0.00422665990000 0.03012666860000
0.00065664480000 -0.00020435880000 0.00012020280000 -0.00005355300000 0.00002010580000 -0.00000586790000 0.00001178110000 -0.00002768080000 0.00001720310000 -0.00003867170000 0.00005567970000 -0.00012616800000 0.00013724240000 -0.00092073670000 -0.00440650030000 0.02821167840000 -0.08573616820000
0.00152886230000 -0.00047649980000 0.00028027150000 -0.00012487910000 0.00004688210000 -0.00001367970000 0.00002745400000 -0.00006448820000 0.00004009080000 -0.00009033390000 0.00013348580000 -0.00027995670000 0.00035883720000 -0.00021767040000 0.01420840090000 -0.09780750820000 0.21877856420000
0.00326404270000 -0.00102050440000 0.00060041190000 -0.00026752430000 0.00010044550000 -0.00002932090000 0.00005888870000 -0.00013839580000 0.00008599020000 -0.00019293320000 0.00027162350000 -0.00065614310000 0.00060242850000 -0.00574140630000 -0.00472579770000 0.22814549240000 -0.55096662700000
0.00683181470000 -0.00214826680000 0.00126391350000 -0.00056335520000 0.00021148770000 -0.00006168920000 0.00012372900000 -0.00029051700000 0.00018069900000 -0.00040865550000 0.00062803240000 -0.00116347520000 0.00197294780000 0.00199880780000 -0.03916752760000 -0.72344624130000 1.33003958520000
0.01415452020000 -0.00449424460000 0.00264644110000 -0.00117955140000 0.00044297580000 -0.00012938460000 0.00026013900000 -0.00061183290000 0.00037986770000 -0.00084700620000 0.00110694190000 -0.00324901460000 0.00133138790000 -0.02747316100000 0.15380374460000 1.68225565020000 -3.22849309470000
0.02948748020000 -0.00951450710000 0.00560245830000 -0.00249977700000 0.00093837670000 -0.00027348430000 0.00054766920000 -0.00128450510000 0.00080003850000 -0.00182720060000 0.00308514880000 -0.00402516220000 0.01307210710000 0.00431020980000 -0.34279801400000 -2.72953249990000 6.07086584370000
0.06109203860000 -0.02024837130000 0.01195200670000 -0.00533239320000 0.00200361320000 -0.00058595020000 0.00118078880000 -0.00278208630000 0.00172453830000 -0.00379237260000 0.00412265640000 -0.01813456310000 -0.00741560780000 -0.13131741390000 0.97049205660000 3.29039248410000 -9.23582806790000
0.12271735880000 -0.04271406520000 0.02523553720000 -0.01129431490000 0.00424001580000 -0.00123382760000 0.00246384220000 -0.00576635080000 0.00360132610000 -0.00838242770000 0.01648310640000 -0.00863800750000 0.09502156980000 0.00258777920000 -0.94292048690000 -3.36961041830000 10.24404278420000
0.22422175520000 -0.08553927550000 0.05095204180000 -0.02282765810000 0.00858934230000 -0.00251784650000 0.00509541700000 -0.01204771140000 0.00744764120000 -0.01595598250000 0.01069427830000 -0.10523721370000 -0.13325275950000 -0.53999630650000 -0.13686036480000 -0.53265211160000 -1.028000879260e1
0.32971018430000 -0.14952867680000 0.08998230850000 -0.04074879410000 0.01531274600000 -0.00444072850000 0.00881195250000 -0.02052492900000 0.01290677130000 -0.03138096930000 0.08080648370000 0.04644543130000 0.65224194810000 -0.04811904590000 4.91627762250000 6.11132610070000 10.88239486420000
0.30295487180000 -0.17600374740000 0.10980356700000 -0.05001594050000 0.01893206680000 -0.00560826950000 0.01156131200000 -0.02774431730000 0.01694002950000 -0.03207763670000 -0.04645281750000 -0.50648632450000 -1.28390070890000 -1.27604269960000 -1.303482786320e1 -7.80596866560000 -1.082050660680e1
0.10849929730000 0.00687238510000 -0.01095121310000 0.00543025880000 -0.00228598950000 0.00087241790000 -0.00250572530000 0.00734049400000 -0.00375337480000 -0.00704841800000 0.24777589030000 0.97500652040000 4.34118298520000 7.48970339410000 18.67784165330000 6.09232155010000 9.47115863940000
-0.01187690990000 0.44736517990000 -0.39545266230000 0.20799805040000 -0.07996221490000 0.02293544960000 -0.04457976010000 0.10246503060000 -0.06681268820000 0.19102074100000 -0.86303400570000 -1.59825969150000 -1.258981010760e1 -1.217893689790e1 -1.877961876690e1 -3.90062662510000 -7.46151200200000
-0.01972208140000 0.49516306030000 -0.63292395970000 0.36356447530000 -0.14475770420000 0.04365148270000 -0.09260713520000 0.22827025160000 -0.13966171340000 0.23355574460000 0.95364381840000 6.82757964080000 20.36512926010000 11.45559397370000 15.14266760650000 2.43485570990000 5.45920056570000
-0.00510718010000 0.13535426220000 0.15554576210000 -0.12449839450000 0.05499973020000 -0.01874079750000 0.04685095870000 -0.12836471130000 0.07013085120000 0.02974321780000 -2.88371513710000 -1.543729215330e1 -2.110791284570e1 -8.13342329010000 -1.063141654390e1 -1.56841953660000 -3.75915458870000
0.00153015230000 0.05965195270000 0.89141649370000 -1.06637556940000 0.49049576220000 -0.14196258980000 0.28597807590000 -0.70693430540000 0.53174353730000 -1.79297137240000 9.27353238700000 19.21866164940000 16.19218071660000 5.04527220690000 6.80010775060000 1.00508405460000 2.43034572380000
0.00019153490000 0.01559291520000 0.26801324850000 -0.14908958390000 0.06056760820000 -0.02798503630000 0.07642726740000 -0.15973940660000 -0.05596336530000 1.33499382160000 -1.567434871690e1 -1.577735147220e1 -1.019143575110e1 -2.90891877860000 -4.02506043660000 -0.61005430580000 -1.46127262820000
-0.00007228850000 0.00227675240000 0.02350721470000 1.08088631570000 -0.80932127130000 0.27935464660000 -0.76272984850000 2.33367957830000 -1.75410938700000 3.24673687560000 16.32855554780000 9.75517638220000 5.60324584790000 1.57048397180000 2.20166621480000 0.34111082510000 0.80887232560000
-0.00010783690000 0.00013085470000 0.00735859480000 0.36165433020000 -0.44246258400000 0.11958222150000 0.10786731030000 -1.55220146150000 2.35721542150000 -7.62574211070000 -1.206728845870e1 -5.00821822040000 -2.77981607250000 -0.78547280630000 -1.10641691090000 -0.17382714440000 -0.40943680130000
0.00002169660000 0.00017917610000 -0.00044092760000 -0.00604947390000 0.88554303850000 -0.31387556560000 0.81508486600000 -1.85314265900000 -0.61574209500000 8.12675450500000 7.00022687000000 2.27680576150000 1.26345847480000 0.36120605890000 0.50952784040000 0.08066303430000 0.18928571090000
-0.00001012850000 -0.00007645180000 0.00012860920000 0.00557957870000 0.57230687130000 -0.55827512230000 0.31524869000000 3.09143658410000 -1.73515233540000 -5.85957493140000 -3.40848667930000 -0.94932358320000 -0.53051776760000 -0.15287831440000 -0.21574170060000 -0.03428100670000 -0.08029634440000
0.00000382710000 0.00003083770000 -0.00005796140000 -0.00177469600000 -0.00325366820000 0.45222819990000 -1.75814570630000 -1.49311768190000 3.01272542440000 3.28812493630000 1.44978785620000 0.36922884070000 0.20742178560000 0.06001302070000 0.08469986910000 0.01348031770000 0.03154968640000
-0.00000149650000 -0.00001361130000 -0.00001145170000 0.00086983770000 0.01951995500000 0.86846636920000 0.75238577540000 -0.24242931110000 -2.97414698140000 -1.63490354040000 -0.56545332320000 -0.13623682440000 -0.07678324740000 -0.02225425820000 -0.03141054820000 -0.00500225680000 -0.01170376690000
0.00000041820000 0.00000350760000 -0.00000379040000 -0.00020014050000 -0.00294547570000 -0.01936775430000 0.54554006030000 0.68155363310000 1.69949312120000 0.61886455420000 0.17168493560000 0.03955260840000 0.02236230370000 0.00648626070000 0.00915575080000 0.00145844090000 0.00341189920000
* p-type functions
19 13
1358019.83540000
218567.94014000
48071.04408300
13453.43203700
4518.87592850
1737.73769500
737.00533772
334.87788044
159.44225825
78.22081507
39.03240207
19.60337546
9.81404978
4.84762834
2.33358717
1.07754043
0.46737305
0.18525908
0.07343369
0.00005095410000 -0.00003527570000 0.00001246640000 -0.00000444190000 0.00000378000000 -0.00000623320000 0.00000889400000 -0.00001119190000 0.00001710070000 -0.00003366450000 0.00002713960000 -0.00015748580000 0.00058124220000
0.00020517810000 -0.00014228450000 0.00005032200000 -0.00001793230000 0.00001523910000 -0.00002516070000 0.00003624940000 -0.00004517580000 0.00005725070000 -0.00016768930000 -0.00004576170000 -0.00077472370000 -0.00050705640000
0.00081709410000 -0.00056786900000 0.00020114770000 -0.00007167800000 0.00006109690000 -0.00010061590000 0.00014200030000 -0.00018081690000 0.00033040280000 -0.00039442810000 0.00105471860000 -0.00235984140000 -0.00972496950000
0.00301746540000 -0.00210574570000 0.00074706440000 -0.00026627950000 0.00022583220000 -0.00037359830000 0.00054646240000 -0.00067063970000 0.00058038630000 -0.00321626150000 -0.00401544110000 -0.01405538580000 0.00938178850000
0.01062427820000 -0.00746400360000 0.00266050590000 -0.00094839830000 0.00081039320000 -0.00133212030000 0.00184887000000 -0.00239998260000 0.00544689000000 -0.00259060080000 0.02516181300000 -0.03472569850000 -0.14596115520000
0.03430727330000 -0.02443359090000 0.00876112780000 -0.00312494190000 0.00264516880000 -0.00438604830000 0.00652292090000 -0.00788046960000 0.00347721510000 -0.04674927130000 -0.09178199780000 -0.21028961130000 0.04345328530000
0.09664761860000 -0.07061857050000 0.02571926040000 -0.00918083210000 0.00786762890000 -0.01291575420000 0.01764788600000 -0.02340137490000 0.06336078150000 -0.00040017440000 0.35111879520000 -0.37225042070000 -2.53729414850000
0.21617715960000 -0.16477265290000 0.06121411080000 -0.02188807110000 0.01848544100000 -0.03077857250000 0.04697223220000 -0.05560940530000 -0.00983002530000 -0.43058955690000 -1.05180159290000 -1.69124526830000 6.10205937570000
0.33704864250000 -0.27016405690000 0.10355522370000 -0.03710280580000 0.03209237740000 -0.05240049530000 0.06761344950000 -0.09608478680000 0.40023633650000 0.32314598520000 4.56503000180000 4.51859955850000 -7.67021056610000
0.29132662030000 -0.18940619920000 0.06122754430000 -0.02156516630000 0.01715299720000 -0.02988749510000 0.06190857550000 -0.04821183050000 -0.59861758220000 -1.85668721440000 -9.40820899550000 -4.60973730830000 6.90022249270000
0.13633009370000 0.23513477620000 -0.17582196280000 0.06672589360000 -0.05540914620000 0.09755198120000 -0.19324956040000 0.18969296720000 1.24741629850000 6.39940208120000 11.15473033240000 3.06511390900000 -5.13462936610000
0.09268388410000 0.57909014630000 -0.44909436300000 0.17413391460000 -0.16001297420000 0.26733100180000 -0.32557920460000 0.64523184310000 -4.60771070430000 -9.48367995940000 -9.28254964580000 -1.73576728340000 3.42433363540000
0.04321024240000 0.28785426480000 -0.06961394180000 0.00929332760000 0.01102371220000 -0.01626825330000 -0.09623324650000 -0.43424818970000 8.73011435600000 8.45792928640000 6.18908712580000 0.97244718560000 -2.11846217560000
0.00413133490000 0.02008358680000 0.63255971890000 -0.32555853110000 0.30779767800000 -0.66715334360000 1.79406332830000 -2.43047991760000 -9.66821791290000 -5.50349220300000 -3.58315794500000 -0.54689054970000 1.22129173500000
0.00094653360000 -0.00023599080000 0.48983555060000 -0.29154293350000 0.28214442240000 -0.21974130990000 -1.76142262740000 5.30037429730000 7.41486949840000 2.95919951470000 1.87457691290000 0.29367930750000 -0.65052447020000
-0.00010565550000 -0.00155002390000 0.06534646470000 0.28005895800000 -0.66854439130000 1.54584847070000 -0.61255449520000 -5.66538410830000 -4.42024616520000 -1.40896315610000 -0.89697408890000 -0.14464316740000 0.31665500710000
0.00008012760000 0.00048408810000 0.00270286150000 0.67226604700000 -0.32526359700000 -0.64230772270000 2.48620440440000 4.15066919540000 2.20563058890000 0.60903922440000 0.39148359380000 0.06421901790000 -0.13962449750000
-0.00003231870000 -0.00020558850000 -0.00045583510000 0.26990849470000 0.38834408590000 -1.12376571350000 -2.50623165540000 -2.34248695390000 -0.96137009030000 -0.24091138020000 -0.15560825890000 -0.02571536570000 0.05575374140000
0.00000991090000 0.00006319840000 0.00014118760000 0.00266404710000 0.72704640970000 1.18726916670000 1.18795722260000 0.85120490060000 0.30403841120000 0.07221175390000 0.04666683540000 0.00772853130000 -0.01674486690000
* d-type functions
12 12
409.22966535
141.76440894
60.12138694
28.52779212
14.28613528
7.28791830
3.70906298
1.85529001
0.89626693
0.40634773
0.16474286
0.06679060
0.02806547530000 -0.01344675170000 0.00324865670000 -0.00362605300000 0.00469951180000 -0.00765538180000 0.01150048220000 -0.02738387770000 0.03995745120000 -0.11431679150000 0.13208779940000 -1.48193887450000
0.12132403060000 -0.05948718670000 0.01443138530000 -0.01598772980000 0.02142502980000 -0.03586817820000 0.05272551630000 -0.09737990490000 0.24419271770000 -0.37673900410000 1.64910485000000 2.11362388920000
0.30045601920000 -0.14828030340000 0.03597050700000 -0.04038553170000 0.05129406010000 -0.08253702650000 0.12611397260000 -0.34349953510000 0.38569399970000 -1.18058451960000 -3.62046207990000 -2.25620948610000
0.40200373700000 -0.18841579380000 0.04560566030000 -0.05033471000000 0.07491383180000 -0.13667111350000 0.17281480190000 -0.04266277730000 0.55435320370000 3.99811081550000 4.52527541360000 2.06068169970000
0.28765645450000 -0.03598957070000 0.00341347540000 -0.00720786460000 -0.00160035160000 0.01099072280000 -0.05711144640000 -0.09725306240000 -3.55396849370000 -5.50636266210000 -4.15522907430000 -1.63398315130000
0.07493627920000 0.30919851690000 -0.09060875780000 0.10934889940000 -0.10798878790000 0.23609362950000 -0.59263828710000 2.60197764910000 5.50463155920000 4.94520261120000 3.07636724890000 1.13852857100000
0.01218272940000 0.46555153780000 -0.13934633750000 0.15706610690000 -0.34572964450000 0.80902616490000 -0.55613299920000 -4.88852661420000 -5.05965303140000 -3.38693054260000 -1.94112114090000 -0.70705272410000
0.00040099440000 0.29711049530000 -0.05755328110000 0.09619887920000 0.03823130800000 -1.22464559830000 2.92444212480000 4.76506348440000 3.41442017010000 1.92650576070000 1.07636793440000 0.39339391080000
0.00147742890000 0.06900895980000 0.20204722560000 -0.45292388800000 0.75169805490000 -0.52981759820000 -3.75882091990000 -3.24106705910000 -1.84251618900000 -0.94836943860000 -0.52761831480000 -0.19438474160000
-0.00040058650000 0.00580180340000 0.37247838500000 -0.24643656750000 0.23921872410000 1.88421932990000 2.83412312400000 1.70964751480000 0.82465870380000 0.40819346770000 0.22717785530000 0.08424480470000
0.00018665980000 -0.00007360450000 0.42863646700000 -0.22273959160000 -1.46358524110000 -1.58538379630000 -1.51654012230000 -0.73758011130000 -0.32395651660000 -0.15868607060000 -0.08849540550000 -0.03295564280000
-0.00005488860000 0.00009303330000 0.24772358880000 0.99262056200000 1.03387509580000 0.64463036400000 0.52979661180000 0.23565457590000 0.10152773960000 0.04987636930000 0.02790719130000 0.01042044950000
* f-type functions
10 10
206.02118417
70.31764067
29.23333966
13.34386496
6.28589523
2.94679034
1.33819170
0.56911032
0.21413714
0.08057263
0.00195884500000 -0.00107792410000 0.00179343430000 -0.00196899830000 0.00420920020000 -0.00490058790000 0.00538201290000 -0.04744551190000 0.00852810620000 -1.28501350140000
0.01571868030000 -0.00858894410000 0.01497140870000 -0.01617300750000 0.02563167160000 -0.03111560440000 0.10239456560000 0.13965507570000 -1.54762042500000 1.16934390470000
0.06171860760000 -0.03410968200000 0.05696586500000 -0.06190450020000 0.13069440070000 -0.15905367630000 0.28766312100000 -1.80909574660000 1.79090135980000 -0.89798158950000
0.16215296640000 -0.08844486210000 0.15472808750000 -0.16671725350000 0.25207991680000 -0.29415924420000 1.07148971300000 2.78303475720000 -1.29928713180000 0.62332332510000
0.28400655270000 -0.14549560500000 0.22621297050000 -0.23413262490000 0.47745396330000 -0.36254506990000 -2.40668613320000 -2.37853021070000 0.77095528520000 -0.38516763800000
0.34431653020000 -0.12475060030000 0.19447280360000 -0.14659417570000 -0.80312873680000 1.75658392120000 2.24845653050000 1.47047623270000 -0.40894181530000 0.21142192610000
0.30839457260000 0.02842639360000 -0.22866423560000 0.74439438380000 -0.35848384700000 -2.20618869130000 -1.39440048000000 -0.74238858480000 0.19580862420000 -0.10282616790000
0.19568639420000 0.29320605930000 -0.42631736850000 0.09802166200000 1.20733117620000 1.67237363450000 0.68505342170000 0.32274813480000 -0.08324731720000 0.04386069680000
0.06666907640000 0.29054798660000 -0.32118965050000 -1.05398877410000 -1.01913233840000 -0.94184748650000 -0.29169702520000 -0.12688496710000 0.03232319840000 -0.01697290560000
-0.03226228280000 0.61316358090000 0.80942417450000 0.67606027600000 0.42491928020000 0.35711004640000 0.09887044820000 0.04225924530000 -0.01079350760000 0.00566019080000
* g-type functions
5 5
5.91617017
2.67687232
1.41761251
0.65823534
0.22309125
0.17981040700000 -0.44340359970000 0.46569520420000 -0.57815109090000 1.28796059860000
0.20033701120000 -0.36367225840000 0.32561463820000 0.09127990320000 -2.57837748110000
0.42959999980000 -0.13596922990000 -0.84694859930000 1.06971874790000 2.37402350790000
0.39670197190000 0.60092010620000 0.04722015340000 -1.34741698880000 -1.13016626340000
0.13140167270000 0.29977649140000 0.73625125710000 0.82888356370000 0.34951462860000
* h-type functions
4 4
9.74399428
3.49168943
1.55215210
0.65922621
0.04921311020000 -0.30390187170000 0.38712274800000 -1.04409049920000
0.18170916590000 -0.71750043040000 0.48002135390000 1.21422136600000
0.59960540790000 0.06245448550000 -1.20179084570000 -0.90308302590000
0.40919795800000 0.56876414480000 0.99407869790000 0.38963088460000
/Eu.ANO-R.Zobel.25s19p12d10f5g3h.16s13p10d10f5g3h.
J.P. Zobel, P.-O. Widmark, V. Veryazov. J. Chem. Theory Comput. 16 (2020) 278-294. doi:10.1021/acs.jctc.9b00873
EUROPIUM (25s,19p,12d,10f,5g,3h) -> [16s,13p,10d,10f,5g,3h]
63.0 5
* s-type functions
25 16
57413592.07900000
12713306.83000000
3263920.20850000
947022.31025000
303986.88746000
106067.24377000
39656.20922100
15704.46844200
6526.69213460
2825.43887570
1266.33222130
584.51542692
276.51075932
133.39285546
65.25905648
32.16307880
15.83921341
7.71508789
3.66997659
1.67837543
0.72393931
0.28778838
0.10257735
0.03173627
0.00981884
0.00024815560000 -0.00006550510000 0.00004891530000 -0.00000985520000 0.00000765330000 -0.00000214580000 0.00000335160000 -0.00000988190000 0.00000718420000 -0.00001478300000 0.00002145400000 -0.00004959620000 0.00005067570000 -0.00019868880000 0.00136305690000 -0.00081002540000
0.00069673010000 -0.00018406870000 0.00013744600000 -0.00002769170000 0.00002150540000 -0.00000603030000 0.00000942090000 -0.00002777970000 0.00002019340000 -0.00004151130000 0.00005936000000 -0.00014194650000 0.00012889780000 -0.00074775050000 -0.00588380910000 0.00268189820000
0.00161132210000 -0.00042641540000 0.00031833510000 -0.00006414780000 0.00004980990000 -0.00001396460000 0.00002180820000 -0.00006429450000 0.00004674790000 -0.00009625760000 0.00014119190000 -0.00031871120000 0.00035186960000 -0.00113253040000 0.01495873670000 -0.01516145190000
0.00341697340000 -0.00090756500000 0.00067738130000 -0.00013650390000 0.00010600260000 -0.00002972920000 0.00004645910000 -0.00013701810000 0.00009958070000 -0.00020444160000 0.00028604580000 -0.00071723850000 0.00053470860000 -0.00390796220000 -0.04258279070000 0.03604317160000
0.00710549370000 -0.00189985250000 0.00141675730000 -0.00028569060000 0.00022174000000 -0.00006214820000 0.00009700140000 -0.00028589900000 0.00020795720000 -0.00042930100000 0.00065427460000 -0.00135057180000 0.00194513720000 -0.00404864130000 0.08081246590000 -0.26116725650000
0.01462483710000 -0.00395444400000 0.00294703270000 -0.00059428520000 0.00046140680000 -0.00012947060000 0.00020252370000 -0.00059762660000 0.00043408620000 -0.00088734430000 0.00115512810000 -0.00336376370000 0.00098171780000 -0.02091191940000 -0.19916661220000 0.60071693970000
0.03027562050000 -0.00833921570000 0.00620003000000 -0.00125282490000 0.00097119920000 -0.00027199730000 0.00042394320000 -0.00124853700000 0.00090907230000 -0.00189000610000 0.00316020270000 -0.00514235260000 0.01288005300000 -0.01584180880000 0.11723296410000 -0.85177864090000
0.06236411600000 -0.01771171850000 0.01314813140000 -0.00265675010000 0.00206135860000 -0.00057904480000 0.00090757980000 -0.00268181120000 0.00194568340000 -0.00393825630000 0.00429003180000 -0.01733427710000 -0.00898907050000 -0.09751774160000 -0.04914277080000 1.77669114800000
0.12470399860000 -0.03742410230000 0.02762335150000 -0.00561478570000 0.00433871390000 -0.00121341420000 0.00188650640000 -0.00554730670000 0.00404678090000 -0.00853316900000 0.01662017560000 -0.01649881390000 0.09421556520000 -0.10455103840000 -1.34610551510000 -4.41528904840000
0.22730141760000 -0.07551291730000 0.05553826470000 -0.01131371250000 0.00875086650000 -0.00246315260000 0.00387489550000 -0.01148205700000 0.00831461660000 -0.01651645500000 0.01134459840000 -0.09200437120000 -0.14296931520000 -0.38641904650000 3.28169942910000 3.62107575140000
0.33478170320000 -0.13416300790000 0.09786552410000 -0.02033249260000 0.01554580740000 -0.00433385270000 0.00669979930000 -0.01963403480000 0.01439099190000 -0.03137527530000 0.08046099490000 -0.00733361280000 0.64651194100000 -0.43802876680000 -7.51988722650000 1.37875594350000
0.31014959120000 -0.16120625260000 0.11930399990000 -0.02504157660000 0.01919150660000 -0.00545157410000 0.00871593620000 -0.02613327460000 0.01876093340000 -0.03413408790000 -0.04377512900000 -0.38879606300000 -1.32432954660000 -0.35487620040000 14.81169159800000 -5.23953420820000
0.10916390860000 0.01106563080000 -0.01205001440000 0.00295891390000 -0.00235353640000 0.00083672600000 -0.00180639730000 0.00639718160000 -0.00402299190000 -0.00325274520000 0.24279614570000 0.56232447060000 4.46177144180000 6.13394203520000 -2.025959290730e1 5.98220700150000
-0.03091664280000 0.44041416920000 -0.43531925320000 0.11602483520000 -0.08122410930000 0.02239314710000 -0.03395429530000 0.09879815120000 -0.07423556190000 0.18469267980000 -0.85501384600000 -0.45719584940000 -1.279706266050e1 -1.075629053480e1 20.36199690350000 -4.99835556970000
-0.04130831870000 0.48732722520000 -0.70476029350000 0.21474343580000 -0.14781837340000 0.04258315010000 -0.06969025390000 0.21424255880000 -0.15413706950000 0.26023595470000 0.92153242200000 5.02307833350000 21.03847811180000 10.27323777090000 -1.648338368410e1 3.65448322000000
-0.01097028330000 0.13818061370000 0.17803244320000 -0.08559749010000 0.05653355820000 -0.01813558450000 0.03436905760000 -0.11471182110000 0.07577856500000 -0.01435472560000 -2.82722925020000 -1.359983221870e1 -2.252768744300e1 -7.31171053380000 11.59247191260000 -2.48064025790000
-0.00063526460000 0.07489193910000 1.11161999910000 -0.83354271480000 0.50123746100000 -0.13910050360000 0.21500419290000 -0.68219912780000 0.56837387530000 -1.73543798020000 9.23208362850000 17.85173594630000 17.92252788310000 4.54338173950000 -7.41687158360000 1.58051784950000
-0.00038324440000 0.01848999390000 0.29392037280000 -0.07885724200000 0.05818539510000 -0.02510491480000 0.05573525850000 -0.12599210950000 -0.02649814390000 1.19622011840000 -1.565066426460e1 -1.494933182920e1 -1.159316137920e1 -2.62358804740000 4.38637131610000 -0.93897346210000
-0.00021281070000 -0.00823060990000 -0.22181977010000 1.04552293230000 -0.81663290250000 0.26769531760000 -0.53182435340000 2.10143079400000 -1.75966737620000 3.50030831080000 16.26808365300000 9.30545783210000 6.45410499530000 1.41473062670000 -2.39332187520000 0.51473952320000
-0.00013196450000 -0.00336849220000 -0.07475476720000 0.34694872080000 -0.44105944860000 0.11859331150000 -0.00159061100000 -1.24731075570000 1.86394045910000 -7.85336839300000 -1.194184486100e1 -4.77507936240000 -3.20299572270000 -0.70447283940000 1.19741970160000 -0.25833214810000
0.00001523300000 0.00023024860000 0.00097447040000 0.00680723490000 0.86704585490000 -0.30381642240000 0.54932880450000 -1.81653079690000 0.48760073170000 8.14597795980000 6.84587365390000 2.16000531400000 1.44673693700000 0.32184062570000 -0.54805291100000 0.11844262010000
-0.00000748390000 -0.00012547700000 -0.00112243310000 0.01393734230000 0.57895118670000 -0.52087334790000 0.63260877540000 2.43113753490000 -2.81292763270000 -5.64544120580000 -3.27638210050000 -0.89386478140000 -0.60232297060000 -0.13518688170000 0.23037652070000 -0.04983074630000
0.00000271610000 0.00004621930000 0.00034724860000 -0.00174513130000 0.00095838760000 0.37898900840000 -1.74460879710000 -0.49884906430000 3.52311477570000 2.96021550690000 1.36236941570000 0.34492725340000 0.23356606150000 0.05267546450000 -0.08979150890000 0.01942925450000
-0.00000101370000 -0.00002170600000 -0.00021254840000 0.00098426890000 0.02212815790000 0.87578722880000 0.47135408600000 -0.96522152050000 -2.96283201030000 -1.32921715960000 -0.51670932850000 -0.12665985620000 -0.08601328740000 -0.01944050450000 0.03314213250000 -0.00717236560000
0.00000029030000 0.00000506920000 0.00003833530000 -0.00023279040000 -0.00235079500000 0.02225309010000 0.74216008640000 0.91722189980000 1.53240758640000 0.45174109010000 0.15267982830000 0.03685625560000 0.02507749980000 0.00567327100000 -0.00967245430000 0.00209334060000
* p-type functions
19 13
1451070.79430000
233481.44165000
51225.44258400
14285.69335700
4780.19510860
1831.75454330
774.61527789
351.20513523
166.97778527
81.85093370
40.82665921
20.49847223
10.25750335
5.06219875
2.43315013
1.12091705
0.48467601
0.19139356
0.07557934
0.00005165580000 -0.00003597790000 0.00001222770000 -0.00000447870000 0.00000430070000 -0.00000620500000 0.00000907420000 -0.00001116160000 0.00001733190000 -0.00003396300000 0.00002780900000 -0.00018272530000 0.00327297740000
0.00020689130000 -0.00014434390000 0.00004909690000 -0.00001798470000 0.00001724870000 -0.00002491980000 0.00003673820000 -0.00004497190000 0.00005815850000 -0.00015628120000 -0.00003129250000 -0.00075507380000 -0.01690478540000
0.00081859440000 -0.00057238580000 0.00019499680000 -0.00007142180000 0.00006868790000 -0.00009895920000 0.00014338230000 -0.00017749240000 0.00032925450000 -0.00044966310000 0.00107728220000 -0.00275963300000 0.03134822810000
0.00300275150000 -0.00210833830000 0.00071942820000 -0.00026357900000 0.00025232310000 -0.00036533680000 0.00054561260000 -0.00066246040000 0.00058886530000 -0.00273006160000 -0.00377886280000 -0.01348635060000 -0.07344414160000
0.01052267320000 -0.00743816620000 0.00255031670000 -0.00093422970000 0.00090058100000 -0.00129474740000 0.00184952070000 -0.00231492710000 0.00536524120000 -0.00399687780000 0.02600364690000 -0.03651407290000 -0.07004761640000
0.03391293110000 -0.02430116600000 0.00838252520000 -0.00307237020000 0.00293587890000 -0.00426187710000 0.00645775050000 -0.00777506890000 0.00355652610000 -0.03706408390000 -0.08827105700000 -0.20659692700000 -0.70019419840000
0.09562717680000 -0.07029219890000 0.02463341490000 -0.00902982170000 0.00872924060000 -0.01252971740000 0.01765978560000 -0.02239981200000 0.06240949550000 -0.02020580070000 0.35811084880000 -0.40823697330000 -0.97670571910000
0.21461108270000 -0.16456913890000 0.05884905470000 -0.02160050370000 0.02059923030000 -0.03004013950000 0.04655961550000 -0.05551333440000 -0.00881640890000 -0.32452248840000 -1.06800497260000 -1.62147343880000 4.18981931900000
0.33655621900000 -0.27144216350000 0.10021676870000 -0.03681101320000 0.03590669830000 -0.05122268600000 0.06880840520000 -0.09104339520000 0.39709275760000 -0.10326565150000 4.51700263900000 4.46198757950000 -5.87824835610000
0.29341290540000 -0.19319513720000 0.06029865400000 -0.02193644210000 0.01980202240000 -0.03036289460000 0.06102435230000 -0.05776031020000 -0.59345919470000 -1.04711299100000 -9.44528616090000 -4.65485067760000 5.44836802210000
0.13782493240000 0.23493444110000 -0.17147684030000 0.06579481450000 -0.06190508300000 0.09593152570000 -0.18723504320000 0.20452309830000 1.25636745990000 5.45046643460000 11.54641665890000 3.23945677650000 -4.06311419050000
0.09283905840000 0.58763741800000 -0.44296723320000 0.17307877400000 -0.17976547660000 0.26240292910000 -0.34363150470000 0.59649722610000 -4.62701831700000 -8.65631241870000 -9.93244861900000 -1.96138395030000 2.69241432650000
0.04313085830000 0.29031718340000 -0.06440541330000 0.00896094190000 0.01245021000000 -0.01567450850000 -0.06331577770000 -0.35546522510000 8.71884949740000 7.85565159060000 6.77834238000000 1.15798486380000 -1.65428460810000
0.00336835010000 0.01030579740000 0.63533597790000 -0.32317967730000 0.35395108660000 -0.67489956250000 1.76125585160000 -2.48441490360000 -9.59749435150000 -5.11613360160000 -3.95965171860000 -0.66254672200000 0.94858837650000
0.00038702390000 -0.00777382220000 0.48813473200000 -0.28515386170000 0.29494079480000 -0.15650373190000 -1.76869729830000 5.30575656590000 7.30407504370000 2.73528802490000 2.06929937350000 0.35437624190000 -0.50310941380000
-0.00018138710000 -0.00253030820000 0.06430788230000 0.27555762930000 -0.76004597290000 1.49230765400000 -0.55290730550000 -5.64680032100000 -4.31262264940000 -1.29230416290000 -0.98538731870000 -0.17307655740000 0.24404454480000
0.00007755110000 0.00043861150000 0.00268694780000 0.66550179430000 -0.31986214290000 -0.71846255160000 2.42033336040000 4.13366365440000 2.12888497740000 0.55445905380000 0.42815678260000 0.07637886930000 -0.10735230850000
-0.00003195400000 -0.00019676380000 -0.00049390850000 0.27920069530000 0.51495713590000 -1.02383420150000 -2.48617302380000 -2.33809006630000 -0.91877329620000 -0.21808072120000 -0.16982011640000 -0.03051359630000 0.04283916680000
0.00000982340000 0.00006078240000 0.00014645590000 0.00292841260000 0.60944680130000 1.21006785860000 1.20821953300000 0.85635367110000 0.28925383850000 0.06522101220000 0.05096642330000 0.00917958600000 -0.01288484760000
* d-type functions
12 10
4046.15103290
1128.48318000
412.88356709
176.85827480
82.50517638
40.18983480
19.97567932
9.97653043
4.91343891
2.30764562
0.97390217
0.41101867
0.00045942980000 -0.00021352650000 0.00006212630000 -0.00011734910000 0.00015287740000 -0.00069957780000 0.00007999700000 -0.00367929590000 0.00268635820000 -0.06053116250000
0.00384622090000 -0.00180237640000 0.00057959930000 -0.00096303540000 0.00190554390000 -0.00046558300000 -0.01336862530000 0.00893202440000 0.06627325320000 0.43723355190000
0.02124541590000 -0.00999534780000 0.00293214470000 -0.00547878160000 0.00734365560000 -0.03122133370000 -0.00301673860000 -0.15967273900000 0.24505572290000 -2.39267553420000
0.07974234150000 -0.03820149020000 0.01231013280000 -0.02044601920000 0.04046227270000 -0.01243128270000 -0.28859738130000 0.04908565220000 1.72836566980000 3.82351310470000
0.21038537570000 -0.10210751520000 0.02971440480000 -0.05638498320000 0.07182805390000 -0.35862687490000 0.04789166920000 -2.18829212890000 -3.56471210630000 -3.95966722760000
0.36848911100000 -0.17615718250000 0.05914448060000 -0.09522045040000 0.21718651930000 0.20116768830000 -1.78462727980000 4.55865546790000 3.65720916610000 3.21141000750000
0.36986949130000 -0.13243892320000 0.02657107020000 -0.08068418400000 0.01989595150000 -1.25361894090000 4.35593635640000 -4.70839840110000 -2.70557238420000 -2.22077517460000
0.15241138280000 0.17987427840000 -0.04331343290000 0.13471498420000 -0.05226423540000 3.73326487270000 -4.62051772320000 3.29706045910000 1.65134451850000 1.35272638280000
0.01699464970000 0.48576309430000 -0.22733760790000 0.38119180990000 -1.68436652740000 -4.39634407890000 3.06134429260000 -1.77627429990000 -0.86494748910000 -0.71951973490000
-0.00054736130000 0.40501752830000 -0.03436002050000 0.29991339160000 2.90684094760000 2.87065548950000 -1.49556314500000 0.77977892240000 0.38613036720000 0.32588962700000
-0.00024885590000 0.09817525930000 0.03855957500000 -1.74900777990000 -2.12046562290000 -1.31841714790000 0.60004547890000 -0.29853962060000 -0.15093618570000 -0.12860526200000
0.00002867800000 0.00212429220000 0.97173872530000 1.20870875740000 0.80076357390000 0.42945744460000 -0.18451114800000 0.09166844870000 0.04679049140000 0.04004192830000
* f-type functions
10 10
219.00201766
74.78694767
31.14421213
14.24755167
6.72709526
3.16054586
1.43816842
0.61279384
0.23101017
0.08708589
0.00191489830000 -0.00069472750000 0.00192186170000 -0.00211778500000 0.00430979560000 -0.00456829510000 0.00220174250000 -0.05567527980000 0.01647134880000 -1.28567966170000
0.01546644520000 -0.00544964980000 0.01591710580000 -0.01762197590000 0.02724145730000 -0.02723787780000 -0.15256294250000 -0.04532566490000 -1.55573901800000 1.17172089080000
0.06117343930000 -0.02223610490000 0.06195705380000 -0.06819630990000 0.13672277670000 -0.14895431940000 0.00874051930000 -1.62861204480000 2.00524189280000 -0.89108268600000
0.16123427680000 -0.05665648090000 0.16610444080000 -0.18439420570000 0.27343974260000 -0.26033900810000 -1.49302183770000 2.46292903350000 -1.58042450130000 0.61062007390000
0.28311244550000 -0.09840367260000 0.24899942060000 -0.24195542130000 0.46285898930000 -0.38753785670000 2.75464315940000 -1.94207113960000 0.95872856140000 -0.37461103010000
0.34281725020000 -0.08164663940000 0.20356469030000 -0.12927898000000 -0.85595927430000 1.77718217150000 -2.44084267150000 1.10734168210000 -0.49817100050000 0.20528514380000
0.30714084550000 -0.00638776360000 -0.18772591340000 0.74549376640000 -0.26933452250000 -2.26587078840000 1.45795305530000 -0.52773831720000 0.23230433150000 -0.09987520030000
0.19707066220000 0.19964090760000 -0.47696891670000 0.10759547740000 1.15325334980000 1.73888341520000 -0.69072483800000 0.22041281220000 -0.09675010820000 0.04262062500000
0.07492178000000 0.14928564890000 -0.43235446140000 -1.03633326160000 -1.00393396440000 -0.98391594330000 0.28740172680000 -0.08413591580000 0.03693717910000 -0.01650161700000
-0.03345365420000 0.82078989440000 0.67133842970000 0.60848120710000 0.41530983510000 0.37042423430000 -0.09687090910000 0.02790454150000 -0.01227776580000 0.00550454080000
* g-type functions
5 5
7.29117002
3.22614555
1.63976144
0.79763677
0.30850380
0.15983177020000 -0.39904851110000 0.46447864070000 -0.43093355650000 1.30321763830000
0.21673596780000 -0.39132175780000 0.36232784370000 -0.18075819620000 -2.40588263950000
0.39856827710000 -0.20170632920000 -0.86867001390000 1.40525855380000 2.22060602080000
0.39840907160000 0.57596531700000 -0.01737025360000 -1.68558539350000 -1.13351503520000
0.16524377650000 0.32868304930000 0.73385337560000 0.98519805260000 0.33736881460000
* h-type functions
3 3
3.93624922
1.79309559
0.80847282
0.19536155950000 -0.36621829590000 1.27983677400000
0.51206441420000 -0.68967036470000 -1.43095866100000
0.49198359780000 1.02793845860000 0.69640189100000
/Gd.ANO-R.Zobel.25s19p14d10f5g3h.18s13p12d10f5g3h.
J.P. Zobel, P.-O. Widmark, V. Veryazov. J. Chem. Theory Comput. 16 (2020) 278-294. doi:10.1021/acs.jctc.9b00873
GADOLINIUM (25s,19p,14d,10f,5g,3h) -> [18s,13p,12d,10f,5g,3h]
64.0 5
* s-type functions
25 18
57467933.07600000
12873420.57700000
3333387.63730000
973255.16643000
313840.11357000
109872.99599000
41181.19978200
16338.87575100
6800.08356430
2947.08026380
1322.00824520
610.63466577
289.02420673
139.49316432
68.27418763
33.66836358
16.59520957
8.09522533
3.86016061
1.77219509
0.76895395
0.30837343
0.11130089
0.03504071
0.01103182
0.00026172050000 -0.00006920630000 0.00004257230000 -0.00002863140000 0.00000821960000 -0.00000252910000 0.00000554880000 -0.00001162120000 0.00001340260000 -0.00001106460000 0.00002253230000 -0.00004470990000 0.00005389570000 -0.00040371070000 0.00053600920000 -0.26988367380000 0.13558866680000 -0.15850198790000
0.00073175050000 -0.00019366320000 0.00011912870000 -0.00008011620000 0.00002300110000 -0.00000707790000 0.00001553200000 -0.00003253570000 0.00003749280000 -0.00003085190000 0.00006214990000 -0.00012977670000 0.00012291810000 0.00006174520000 0.00038902960000 0.33586107530000 -0.12999071610000 0.34741904030000
0.00168087700000 -0.00044562950000 0.00027405780000 -0.00018431510000 0.00005291490000 -0.00001628000000 0.00003571350000 -0.00007478810000 0.00008629870000 -0.00007141020000 0.00014655260000 -0.00028012700000 0.00037871460000 -0.00309428410000 -0.01641633850000 0.22366484990000 -0.24772358440000 -0.47422561160000
0.00354028460000 -0.00094209870000 0.00057927660000 -0.00038955760000 0.00011185420000 -0.00003442490000 0.00007556620000 -0.00015833410000 0.00018226880000 -0.00014929640000 0.00029602840000 -0.00066342130000 0.00048254670000 0.00087781550000 0.03657641400000 0.30145686950000 0.07938651230000 1.53558867260000
0.00731285950000 -0.00195927480000 0.00120366900000 -0.00080954370000 0.00023242890000 -0.00007149110000 0.00015674930000 -0.00032810410000 0.00037939050000 -0.00031662770000 0.00066801060000 -0.00110739230000 0.00207150910000 -0.01317538370000 -0.13255302090000 0.08569370510000 0.05105433780000 -2.52986258700000
0.01494599250000 -0.00405033620000 0.00248705090000 -0.00167225840000 0.00048034110000 -0.00014790340000 0.00032496380000 -0.00068148410000 0.00078181980000 -0.00063098460000 0.00118690380000 -0.00328441300000 0.00062335490000 -0.00146008020000 0.29223112140000 -2.71162851030000 0.39626274110000 2.82502425950000
0.03072105850000 -0.00848338040000 0.00519673880000 -0.00349559850000 0.00100387960000 -0.00030856740000 0.00067566430000 -0.00141254850000 0.00164274570000 -0.00140171530000 0.00316125620000 -0.00339882060000 0.01370542090000 -0.04983881970000 -0.61365966820000 5.37017866520000 1.37839251590000 -2.95558008970000
0.06284203550000 -0.01789753760000 0.01095121820000 -0.00736098030000 0.00211642900000 -0.00065234650000 0.00143615980000 -0.00301773820000 0.00343524000000 -0.00268125040000 0.00441700300000 -0.01863403690000 -0.01198554460000 -0.03706665200000 0.92946579320000 -6.18244127700000 -4.18625280140000 2.53908291850000
0.12489185900000 -0.03759083250000 0.02287154120000 -0.01539197800000 0.00442467700000 -0.00135835990000 0.00296716040000 -0.00618839430000 0.00728078060000 -0.00647342390000 0.01627531210000 -0.00341548490000 0.10088363920000 -0.15544615390000 -1.88045779600000 4.91060796880000 4.74101149700000 0.56311812600000
0.22667314490000 -0.07548654000000 0.04581437500000 -0.03079406560000 0.00887987590000 -0.00274243400000 0.00606061290000 -0.01278513290000 0.01434249040000 -0.01047209670000 0.01214434190000 -0.11110970590000 -0.16737994560000 -0.37709677420000 2.63050415390000 -2.64697184950000 -1.36270986130000 -2.30796131560000
0.33368468460000 -0.13381147690000 0.08054547530000 -0.05440315390000 0.01570651070000 -0.00480869150000 0.01044729050000 -0.02167220700000 0.02621975290000 -0.02546834050000 0.07724791390000 0.08199427760000 0.70740153570000 -0.09910676760000 -6.21263077670000 0.69811853130000 -3.32985099540000 0.33433580250000
0.31121021230000 -0.16122243510000 0.09858366330000 -0.06663471710000 0.01943150220000 -0.00605355430000 0.01360032980000 -0.02917051730000 0.03062590650000 -0.01516433260000 -0.03674891210000 -0.56754142840000 -1.47825369440000 -1.40680202530000 13.50422277350000 0.41121874260000 5.70916651390000 1.99252991630000
0.11136818650000 0.00917131460000 -0.00903844180000 0.00629158200000 -0.00216817370000 0.00084884920000 -0.00264886670000 0.00725347380000 -0.00057036200000 -0.02529094460000 0.22339412480000 1.16378530880000 4.90732573560000 7.62314085070000 -1.882265858430e1 -0.79083247940000 -5.54083848570000 -2.68389286380000
-0.03277548580000 0.44156215030000 -0.35295550700000 0.26575732800000 -0.08138240140000 0.02471554970000 -0.05283717710000 0.10799041740000 -0.14717047750000 0.18615323690000 -0.80346276880000 -2.19343475150000 -1.340858631630e1 -1.195605191330e1 18.78047236140000 0.75546855730000 4.33621272340000 2.30426603770000
-0.04507561240000 0.49893876960000 -0.56996663730000 0.46431153970000 -0.15043673620000 0.04761291730000 -0.10992871090000 0.24286458660000 -0.24372323430000 0.06230659620000 0.81181028880000 7.86243103910000 20.92703625630000 10.84706036550000 -1.507828155170e1 -0.57233465880000 -3.09346434420000 -1.68162117010000
-0.01120667790000 0.13814443980000 0.12551613270000 -0.14304249240000 0.05545923700000 -0.01949508040000 0.05234707560000 -0.13068159690000 0.05263512430000 0.26696022050000 -2.61103624100000 -1.665494795500e1 -2.110543589230e1 -7.46681581650000 10.57139420150000 0.38472528600000 2.09273212090000 1.13842247910000
0.00166025040000 0.05538724390000 0.71345902010000 -1.20437369700000 0.50572944100000 -0.15572261620000 0.35053971510000 -0.77932417080000 1.35602800150000 -1.93940704850000 8.93299590800000 20.41175583100000 15.83069259940000 4.56359551790000 -6.77455690390000 -0.23968615710000 -1.34155368940000 -0.72627774900000
0.00045361980000 0.01497911310000 0.24512474040000 -0.19407479270000 0.06519121720000 -0.02939052380000 0.07552242730000 -0.11989224620000 -0.73194843830000 2.37016796860000 -1.550685154330e1 -1.681398076610e1 -9.82473685750000 -2.63223698360000 4.02617835460000 0.13988432290000 0.80447684980000 0.43334333090000
0.00087745060000 0.00402000080000 0.19415430460000 1.06709337240000 -0.83890989650000 0.30383784890000 -0.91740632630000 2.54156618380000 -3.27726034220000 0.31637905820000 16.53665247860000 10.52048570370000 5.37900160510000 1.43039413680000 -2.21251311010000 -0.07603893190000 -0.44549970040000 -0.23909750180000
0.00022144990000 0.00076146500000 0.06441283600000 0.35789875530000 -0.44566322510000 0.13521971260000 0.16814038250000 -1.98688832350000 6.49332251930000 -3.80092112680000 -1.257837625390e1 -5.47770453870000 -2.67443488950000 -0.72015018970000 1.11661752430000 0.03814579500000 0.22591627820000 0.12097674670000
0.00001072040000 0.00015750020000 -0.00137687820000 -0.00600033780000 0.92261101590000 -0.37533954230000 1.05199458160000 -1.58962505660000 -5.80662789550000 5.42346470150000 7.58973850890000 2.52056053210000 1.22052770420000 0.33284240460000 -0.51602494190000 -0.01757452430000 -0.10467352380000 -0.05598440790000
-0.00000307590000 -0.00006142990000 0.00101498060000 0.00554337510000 0.54974799710000 -0.56218953080000 0.02512506140000 3.40004952090000 2.76807934420000 -5.15449821740000 -3.92594700980000 -1.05952930150000 -0.51428444760000 -0.14136579240000 0.21906823200000 0.00745016820000 0.04449252650000 0.02378291440000
0.00000133720000 0.00002528040000 -0.00034754930000 -0.00176443530000 -0.00498702600000 0.54784640570000 -1.75555003810000 -2.22419930760000 -0.01135099600000 4.10747087100000 1.85289972890000 0.41338780520000 0.20152723280000 0.05561093310000 -0.08615543630000 -0.00292818110000 -0.01750744270000 -0.00935607590000
-0.00000051370000 -0.00001213520000 0.00010461040000 0.00081442950000 0.01827106300000 0.80521010090000 1.02265328180000 0.38595146250000 -1.31519592080000 -3.05547049490000 -0.86290893410000 -0.15202037860000 -0.07465167900000 -0.02063081220000 0.03196358960000 0.00108608590000 0.00649661040000 0.00347153270000
0.00000014750000 0.00000297660000 -0.00003496320000 -0.00020058160000 -0.00296316980000 -0.02090914500000 0.33957159370000 0.42394641680000 1.08294693510000 1.60294644330000 0.32680165250000 0.04364956610000 0.02170394380000 0.00600014420000 -0.00929903230000 -0.00031594780000 -0.00189018740000 -0.00101003130000
* p-type functions
19 13
1585410.29440000
253404.33688000
55382.86956500
15405.84032200
5143.72431490
1966.47989500
829.45128202
375.07077485
177.90123767
87.06248066
43.40707106
21.81910769
10.95061009
5.42972399
2.62563855
1.21754287
0.52944830
0.20965461
0.08302049
0.00005220930000 -0.00003450170000 0.00001291350000 -0.00000467450000 0.00000399620000 -0.00000661200000 0.00000936250000 -0.00001149760000 0.00001757110000 -0.00003235680000 0.00003732250000 -0.00016398570000 0.00219246510000
0.00020901740000 -0.00013836230000 0.00005182410000 -0.00001876080000 0.00001601780000 -0.00002653140000 0.00003790120000 -0.00004617120000 0.00005891210000 -0.00016660900000 -0.00000857780000 -0.00087155450000 0.00208551060000
0.00081932450000 -0.00054361580000 0.00020391130000 -0.00007382620000 0.00006321370000 -0.00010447020000 0.00014642060000 -0.00018166120000 0.00033142230000 -0.00034480370000 0.00123990870000 -0.00226254230000 0.00976264720000
0.00297290240000 -0.00198060440000 0.00074397230000 -0.00026937760000 0.00022953170000 -0.00038088880000 0.00055210050000 -0.00066352410000 0.00057501350000 -0.00324234480000 -0.00329594680000 -0.01530981180000 -0.01524113610000
0.01032833000000 -0.00692808500000 0.00261386660000 -0.00094685030000 0.00081279850000 -0.00134095280000 0.00184906330000 -0.00233454830000 0.00534486390000 -0.00110591070000 0.02792777130000 -0.02760490060000 0.16428800520000
0.03316991690000 -0.02254899920000 0.00855160530000 -0.00309860060000 0.00263497420000 -0.00438242220000 0.00645860650000 -0.00765090170000 0.00319265440000 -0.04821718030000 -0.08011207760000 -0.22877264950000 0.40605273990000
0.09387327380000 -0.06545440900000 0.02517990980000 -0.00913674190000 0.00786659820000 -0.01296277610000 0.01760214410000 -0.02266763850000 0.06239048910000 0.01992269030000 0.38168150820000 -0.26299618890000 1.55515034620000
0.21299530540000 -0.15485670490000 0.06064461480000 -0.02203379440000 0.01869579020000 -0.03121896360000 0.04716958250000 -0.05491030650000 -0.01133968480000 -0.46185859860000 -1.00488943430000 -1.91876849170000 -4.79406578070000
0.34023373790000 -0.26047017440000 0.10508095150000 -0.03830711060000 0.03328539740000 -0.05460198200000 0.07036384890000 -0.09635130270000 0.40573056390000 0.46638319090000 4.41353238930000 4.87428313700000 6.31131991270000
0.30333708750000 -0.19427143980000 0.06856988780000 -0.02453641100000 0.01975407010000 -0.03425034100000 0.06760574170000 -0.05625604330000 -0.60983563410000 -2.23376826030000 -9.16027730450000 -5.14067040090000 -5.74073516390000
0.13690409630000 0.21824960660000 -0.16733133820000 0.06492797240000 -0.05408274290000 0.09571282880000 -0.18894857310000 0.18480432250000 1.32346789030000 6.89925110440000 10.78746866470000 3.68737324610000 4.28579868240000
0.07994039360000 0.57960508100000 -0.45499102130000 0.18084592430000 -0.16747967280000 0.28246203570000 -0.35011394700000 0.66157786640000 -4.79073535280000 -9.92716888830000 -8.88601198590000 -2.28637599070000 -2.86847689940000
0.03818947060000 0.30325012700000 -0.09397911380000 0.01900143250000 0.00326346850000 -0.00482555060000 -0.10955759560000 -0.42427385510000 8.98213419740000 8.77899510610000 5.88499371520000 1.36384703500000 1.78424204160000
0.00398479590000 0.02589954120000 0.62286904950000 -0.32999815110000 0.31845299420000 -0.70143120630000 1.88233335070000 -2.47720306880000 -9.91882919140000 -5.70120745850000 -3.39979421670000 -0.78438090730000 -1.03411228790000
0.00096679000000 0.00165501540000 0.50499228080000 -0.31258337190000 0.29730117850000 -0.22117128460000 -1.89397305150000 5.37454203780000 7.59850526890000 3.05750863520000 1.77632962510000 0.42102003760000 0.55210283040000
-0.00007994570000 -0.00136537420000 0.07137497780000 0.28477129590000 -0.68613646770000 1.59873185120000 -0.47880448050000 -5.75097222160000 -4.51449263290000 -1.44520583270000 -0.84634944830000 -0.20564956900000 -0.26808025870000
0.00007352420000 0.00050651960000 0.00233791550000 0.68451304140000 -0.33234217190000 -0.73182128660000 2.39553517420000 4.22277704990000 2.23789933660000 0.61695450580000 0.36641792050000 0.09035986240000 0.11738930590000
-0.00002948890000 -0.00021405980000 -0.00029732890000 0.25854289630000 0.42811320830000 -1.04775368480000 -2.48262190440000 -2.39684675140000 -0.97004774740000 -0.24081260770000 -0.14444685990000 -0.03588020400000 -0.04653559250000
0.00000898350000 0.00006511670000 0.00009560610000 0.00260359770000 0.69866912960000 1.16662293690000 1.20079947230000 0.88057077790000 0.30709772550000 0.07171415780000 0.04321027290000 0.01076347620000 0.01395068910000
* d-type functions
14 12
3798.75978330
1082.09786660
393.28062398
166.96758174
77.73085024
37.97599888
18.88932847
9.35396565
4.51959996
2.08105749
0.88376058
0.33006401
0.10127704
0.03107591
0.00054442310000 -0.00026312510000 0.00006193650000 -0.00009734410000 0.00007746770000 -0.00012299340000 0.00018184110000 -0.00067203800000 0.00011146130000 -0.00371830270000 0.00161522200000 -0.04722283370000
0.00448645880000 -0.00219154480000 0.00052001620000 -0.00082105780000 0.00074390720000 -0.00131653430000 0.00126779860000 -0.00163201370000 0.01320910710000 0.00024569690000 -0.08884669420000 0.09470978220000
0.02508142850000 -0.01228226810000 0.00289864460000 -0.00455448070000 0.00365444800000 -0.00585632540000 0.00834406640000 -0.02993627480000 0.01305648760000 -0.15041146650000 -0.04478498270000 -1.99965622360000
0.09300603030000 -0.04652909510000 0.01108279440000 -0.01747459430000 0.01576505700000 -0.02794936740000 0.02695663650000 -0.03729411150000 0.29154371250000 -0.05789771350000 -2.03180290630000 3.29176539810000
0.23310259120000 -0.11758719320000 0.02785122970000 -0.04377930330000 0.03437133010000 -0.05418066040000 0.08313293440000 -0.32466181850000 0.02536914850000 -1.96016861510000 3.99292614870000 -3.36368200640000
0.38185956480000 -0.18879890940000 0.04510005910000 -0.07224869700000 0.07142340920000 -0.13330073870000 0.10648353290000 0.07260000420000 1.50606800340000 4.40430456680000 -4.11932063960000 2.68561954720000
0.34811522180000 -0.10850394390000 0.02180300720000 -0.03566690960000 0.01870534060000 -0.01418119090000 0.16471513900000 -0.78510803910000 -4.04933753920000 -4.66240863860000 3.02654589240000 -1.81036713430000
0.12459631610000 0.24685783050000 -0.07277390670000 0.11712505310000 -0.05957848030000 0.11692156850000 -0.53029239130000 3.07658002090000 4.46430616290000 3.26959085070000 -1.80073797650000 1.06554265350000
0.01548171260000 0.51887152890000 -0.15290017460000 0.27801817760000 -0.38928171320000 0.87091531170000 -0.58625127560000 -4.02445553600000 -3.07585402470000 -1.76139885350000 0.92460730460000 -0.55442326100000
0.00328965650000 0.34112021890000 -0.05458329790000 0.05447891170000 0.17270826580000 -1.40016831800000 2.04440099840000 2.93142231020000 1.61808577120000 0.79292986860000 -0.41910280960000 0.25496814760000
0.00051798620000 0.05783633520000 0.25296748990000 -0.77852572460000 0.82494955660000 0.38696208400000 -2.19113606440000 -1.53670444940000 -0.71108790380000 -0.31259907620000 0.16806942680000 -0.10322868260000
0.00003929800000 0.00122602460000 0.53597005710000 -0.09063132840000 -0.88600392020000 0.67161971460000 1.56789989690000 0.67888217500000 0.27358085160000 0.11044832270000 -0.05991695670000 0.03698004100000
0.00001447470000 0.00020415490000 0.43377024090000 0.64146602900000 0.00380526150000 -1.01933917100000 -1.00413520290000 -0.28381592260000 -0.10301965790000 -0.03708472310000 0.02019247450000 -0.01248333310000
0.00000274650000 -0.00003200560000 0.01237010230000 0.21862711490000 0.76641978340000 0.81527449720000 0.55769835880000 0.10745396330000 0.03816939280000 0.01172699420000 -0.00641724470000 0.00396787390000
* f-type functions
10 10
251.40959706
86.06287844
36.09204150
16.65922056
7.95304588
3.79231540
1.76140605
0.77106813
0.30010095
0.11679977
0.00163797550000 -0.00148878970000 0.00154069910000 -0.00230839250000 0.00362998240000 -0.00434322040000 0.00239233570000 -0.05558789790000 0.06055119650000 -1.28924087720000
0.01360308280000 -0.01254863330000 0.01390158300000 -0.01838554550000 0.01974789370000 -0.02406998610000 0.13901360820000 -0.08605580610000 -1.61357789200000 1.14313613500000
0.05541112560000 -0.05077566930000 0.05292207590000 -0.07801454010000 0.12058612690000 -0.14763377740000 0.13060834970000 -1.59044503970000 2.15574177730000 -0.86074897500000
0.15083491060000 -0.13997358110000 0.15612010840000 -0.20594001110000 0.20892915130000 -0.23790034790000 1.35383571240000 2.60888043570000 -1.80335201650000 0.59521231450000
0.27828240180000 -0.23232311700000 0.21609807150000 -0.30168141290000 0.47678509260000 -0.46777815070000 -2.71070096170000 -2.24538049340000 1.16964407820000 -0.37431067910000
0.34856134720000 -0.21053154250000 0.16889610810000 0.07397324510000 -1.02897698530000 1.88010448220000 2.48224671770000 1.38984253070000 -0.64611178360000 0.21182474390000
0.31319070490000 0.08582273550000 -0.46217346340000 0.92395721190000 0.19087074840000 -2.38636402780000 -1.52446888550000 -0.70409965760000 0.31586456760000 -0.10634034270000
0.18976383250000 0.49911488230000 -0.35767135540000 -0.72101751570000 0.90099498830000 1.91879393480000 0.74340282270000 0.30763142750000 -0.13627871480000 0.04651909910000
0.05520485510000 0.39403389370000 0.43187230980000 -0.37147677090000 -1.28644284390000 -1.24200846000000 -0.32323274240000 -0.12244133230000 0.05349764720000 -0.01830592890000
-0.00460122390000 0.14989404830000 0.54089492690000 0.74671540910000 0.84478360730000 0.58013734070000 0.11555658310000 0.04140344650000 -0.01788971950000 0.00611096770000
* g-type functions
5 5
6.75216858
2.87186734
1.42935809
0.66243557
0.22553565
0.21657853450000 -0.44050657920000 0.51744590680000 -0.52861589750000 1.12529913170000
0.28266049350000 -0.40183738250000 0.17714982640000 0.18900574850000 -2.19238035650000
0.44997344940000 0.04944012670000 -0.80837575660000 0.87764309760000 2.12442425750000
0.30749953670000 0.58637654910000 0.18967781230000 -1.30005503180000 -1.11659556180000
0.07732459890000 0.27642600800000 0.69193478260000 0.88299029230000 0.33570893870000
* h-type functions
3 3
4.05942892
1.88588046
0.76530719
0.18701931950000 -0.43579640360000 1.26152187830000
0.55396771760000 -0.52120206940000 -1.37676541490000
0.47615095350000 0.93444272910000 0.65292042650000
/Tb.ANO-R.Zobel.25s19p12d10f5g4h.17s13p11d10f5g4h.
J.P. Zobel, P.-O. Widmark, V. Veryazov. J. Chem. Theory Comput. 16 (2020) 278-294. doi:10.1021/acs.jctc.9b00873
TERBIUM (25s,19p,12d,10f,5g,4h) -> [17s,13p,11d,10f,5g,4h]
65.0 5
* s-type functions
25 17
57910053.72500000
13047293.61700000
3395792.70470000
995672.21412000
322092.85788000
113004.33150000
42406.03937400
16832.40020600
7004.90525060
3034.73348780
1360.76896050
628.38276179
297.44301865
143.61775157
70.34456033
34.71841142
17.12250154
8.35015230
3.97410831
1.81612704
0.78124758
0.30885904
0.10905883
0.03325697
0.01014155
0.00026488620000 -0.00010636820000 0.00005459000000 -0.00001559970000 0.00000893030000 -0.00000239020000 0.00000788420000 -0.00001072460000 0.00001630420000 -0.00001026110000 0.00002421380000 -0.00006611160000 0.00008819800000 -0.00018998770000 0.00069060800000 -0.00421112000000 0.02950066980000
0.00073787820000 -0.00029649310000 0.00015219750000 -0.00004349300000 0.00002489920000 -0.00000666500000 0.00002199160000 -0.00002991230000 0.00004542740000 -0.00002844120000 0.00006672980000 -0.00018635750000 0.00023220320000 -0.00055029510000 -0.00363487910000 0.01701292860000 -0.09429086360000
0.00168436920000 -0.00067767070000 0.00034795750000 -0.00009945080000 0.00005692940000 -0.00001523570000 0.00005024600000 -0.00006835180000 0.00010398660000 -0.00006568690000 0.00015564460000 -0.00041831100000 0.00058591770000 -0.00122160820000 0.00305694530000 -0.04264002070000 0.31145712940000
0.00352573970000 -0.00142239220000 0.00073096760000 -0.00020894980000 0.00011962140000 -0.00003202550000 0.00010571680000 -0.00014377810000 0.00021805740000 -0.00013551860000 0.00031531450000 -0.00090943160000 0.00102164720000 -0.00272071550000 -0.01397373300000 0.10698040400000 -0.82680059720000
0.00723897520000 -0.00293496560000 0.00150987000000 -0.00043185660000 0.00024716040000 -0.00006612600000 0.00021791300000 -0.00029649890000 0.00045229100000 -0.00028958730000 0.00069633010000 -0.00176614000000 0.00291605730000 -0.00477633020000 0.00702524430000 -0.17622782560000 1.48435166750000
0.01470393540000 -0.00601180050000 0.00310085720000 -0.00088725210000 0.00050794630000 -0.00013606110000 0.00044975410000 -0.00061150700000 0.00092328750000 -0.00056027470000 0.00126792990000 -0.00405201360000 0.00310121510000 -0.01492360020000 -0.04233107510000 0.13901074810000 -2.63438675480000
0.03003551280000 -0.01245113670000 0.00644067980000 -0.00184611720000 0.00105596390000 -0.00028229340000 0.00092844750000 -0.00126390580000 0.00194229530000 -0.00128740590000 0.00320783320000 -0.00698530800000 0.01660195950000 -0.01024435970000 0.00933674180000 0.22283909100000 5.60931554220000
0.06104037910000 -0.02588967400000 0.01348701150000 -0.00386941130000 0.00221507560000 -0.00059401850000 0.00196941690000 -0.00267633740000 0.00399983150000 -0.00229658680000 0.00484761230000 -0.01951933310000 0.00190410090000 -0.09632472730000 0.02614746410000 -0.41318282330000 -9.14384233020000
0.12043585510000 -0.05323217980000 0.02798046860000 -0.00806886920000 0.00460883490000 -0.00123026380000 0.00403134320000 -0.00549294020000 0.00856761110000 -0.00604834230000 0.01597898170000 -0.02589671040000 0.10743645530000 0.00610627160000 -1.17287252020000 0.85397688520000 11.96198119980000
0.21656146330000 -0.10340860190000 0.05557421260000 -0.01609297500000 0.00920563110000 -0.00247403920000 0.00824996200000 -0.01120283600000 0.01641698750000 -0.00838606450000 0.01477857480000 -0.09618262610000 -0.08177589390000 -0.59141811690000 2.45682963270000 2.45060826250000 -1.347286999430e1
0.31421421280000 -0.17388082550000 0.09663117320000 -0.02846443400000 0.01618771880000 -0.00430622230000 0.01399181550000 -0.01910866360000 0.03088934790000 -0.02484904700000 0.07267918810000 -0.05480108730000 0.66839738830000 0.51278895370000 -6.49615591350000 -8.50592783000000 12.92659071250000
0.28661712220000 -0.19635003760000 0.11622297110000 -0.03467397730000 0.01980811460000 -0.00537632870000 0.01838751400000 -0.02487822250000 0.03320869070000 -0.00650048810000 -0.02169333450000 -0.34777682320000 -1.10011016370000 -2.69749932990000 13.75006695170000 11.49426133530000 -1.069310817450e1
0.11031527660000 0.00038363550000 -0.01353485850000 0.00493111760000 -0.00295724780000 0.00097897090000 -0.00485286700000 0.00624156640000 0.00241692230000 -0.03822072000000 0.18439213640000 0.54513356970000 3.07645522140000 9.92826103340000 -1.849573472970e1 -1.054457320300e1 8.05926255280000
0.02430216570000 0.44454793220000 -0.42283854560000 0.15406914730000 -0.08490197470000 0.02232094540000 -0.07067976920000 0.09781894020000 -0.18232168940000 0.20601449020000 -0.72652806100000 -0.03012559220000 -1.046358838580e1 -1.606696456600e1 17.99824878490000 8.07156358770000 -5.84127369330000
0.02084472690000 0.49398831210000 -0.68087983230000 0.27760838620000 -0.15427472160000 0.04250579170000 -0.15145645990000 0.20572613620000 -0.25526639790000 -0.03970803130000 0.60110045080000 3.95314580380000 19.12980218570000 16.38885231820000 -1.428418173160e1 -5.69856843610000 4.14933252500000
0.00449122770000 0.13685075540000 0.18050795800000 -0.11150723930000 0.06349310820000 -0.01946660810000 0.08411049540000 -0.10928858510000 0.01872787630000 0.43848669560000 -2.11013095760000 -1.237938740000e1 -2.192498394630e1 -1.277219366690e1 9.97565185830000 3.83639853740000 -2.85349492340000
0.00181104030000 0.06060117000000 1.03458598590000 -0.94058211500000 0.52252279440000 -0.13838625670000 0.47369832940000 -0.70472699160000 1.70556676820000 -2.20158173870000 8.14227683200000 17.11696727300000 18.31520519100000 8.44945155290000 -6.36987517100000 -2.45165423840000 1.85693536690000
0.00012421330000 0.01527918910000 0.27703645950000 -0.08007042550000 0.04472233640000 -0.02051430680000 0.07946298390000 -0.03241983080000 -1.23827301120000 3.11800576460000 -1.465563697900e1 -1.482204128980e1 -1.224017763500e1 -4.99971988180000 3.75882220830000 1.46261821420000 -1.12073400410000
0.00023440150000 -0.00035888850000 -0.12554792920000 1.05656528180000 -0.84480102520000 0.26489674090000 -1.34106231660000 2.10862191170000 -3.09924274960000 -1.23899090140000 15.87255004200000 9.49066890840000 6.93710915950000 2.69700826880000 -2.04189386500000 -0.80234146500000 0.61877818300000
-0.00005255430000 -0.00070177320000 -0.04149532490000 0.33714593560000 -0.42522458550000 0.10951250260000 0.60007362570000 -1.61192314610000 6.72549267000000 -1.85329683150000 -1.218789453980e1 -4.99258674440000 -3.46552965730000 -1.33036318290000 1.01454342110000 0.40115741830000 -0.31040381530000
0.00003594630000 0.00020490960000 0.00084677650000 0.01480362390000 0.89910032860000 -0.30162951810000 1.11687756360000 -1.54722712560000 -6.16571026310000 3.84376473940000 7.42841102080000 2.30750848400000 1.56533523270000 0.60049857530000 -0.46017278400000 -0.18257681620000 0.14149741710000
-0.00001454230000 -0.00006823540000 -0.00051707270000 0.01820144500000 0.55413505430000 -0.51782736730000 -0.38941380210000 3.21189380970000 3.10564963570000 -4.28798779140000 -3.91296811350000 -0.97528473250000 -0.65036001830000 -0.24925298940000 0.19146671150000 0.07608986720000 -0.05901252030000
0.00000578350000 0.00003347970000 0.00024984670000 -0.00218744510000 -0.00804259350000 0.41557066510000 -1.33569260250000 -2.16263113180000 -0.37655634540000 3.80262533640000 1.91567837640000 0.38759623590000 0.25236913620000 0.09613238920000 -0.07388846710000 -0.02938326940000 0.02279592910000
-0.00000207190000 -0.00000914080000 -0.00001631630000 0.00035000530000 0.02206367280000 0.86130751550000 0.76274688510000 0.27501995590000 -0.86317811430000 -2.99824237730000 -0.95254611740000 -0.15104098740000 -0.09412799360000 -0.03528972990000 0.02710064220000 0.01077929230000 -0.00836413000000
0.00000061930000 0.00000345170000 0.00002277550000 -0.00024714370000 -0.00249982990000 0.00695005780000 0.35622083100000 0.58697683430000 0.76248564190000 1.62080621710000 0.39040208990000 0.04850446520000 0.02833369990000 0.01033972000000 -0.00792410110000 -0.00315180360000 0.00244594220000
* p-type functions
19 13
1655456.10950000
266159.28305000
58130.43795800
16106.70280400
5351.68113210
2037.13729640
856.60349740
386.68606702
183.29192847
89.68280349
44.68970600
22.42631506
11.21601861
5.52936607
2.65235889
1.21787462
0.52407993
0.20565443
0.08070094
0.00005045780000 -0.00004053780000 0.00001238200000 -0.00000472240000 0.00000404620000 -0.00000672830000 0.00000965860000 -0.00001158540000 0.00002104050000 -0.00004833920000 0.00007515690000 -0.00014446020000 0.00030535950000
0.00020013760000 -0.00016105940000 0.00004924350000 -0.00001878230000 0.00001607600000 -0.00002676300000 0.00003865010000 -0.00004590920000 0.00007451630000 -0.00020514310000 0.00020160750000 -0.00082886780000 -0.00283235620000
0.00078151310000 -0.00063029110000 0.00019305430000 -0.00007362680000 0.00006316590000 -0.00010490860000 0.00014956360000 -0.00018158830000 0.00037072580000 -0.00069974530000 0.00162999800000 -0.00162536030000 0.00574993650000
0.00282633180000 -0.00228863620000 0.00070244860000 -0.00026794830000 0.00022897370000 -0.00038191340000 0.00055711560000 -0.00065085600000 0.00085106910000 -0.00325378270000 0.00077598050000 -0.01637141020000 -0.04633911180000
0.00979875400000 -0.00798621280000 0.00246443120000 -0.00093989140000 0.00080803200000 -0.00133954130000 0.00188871670000 -0.00234086730000 0.00561522160000 -0.00787764520000 0.03032911440000 -0.01202282290000 -0.04321805070000
0.03141027050000 -0.02593523260000 0.00806110230000 -0.00307533150000 0.00262383730000 -0.00438660760000 0.00647541070000 -0.00742580270000 0.00706692240000 -0.04229296320000 -0.01537417590000 -0.26444056760000 -0.11967920830000
0.08859778260000 -0.07495302950000 0.02371664930000 -0.00904713590000 0.00779778270000 -0.01290871680000 0.01801136150000 -0.02284270330000 0.06324649090000 -0.06899735340000 0.39688296620000 -0.06577921390000 -2.33762285260000
0.19986605880000 -0.17611757450000 0.05706241320000 -0.02178284220000 0.01855347520000 -0.03114564000000 0.04684654960000 -0.05242317510000 0.02329868800000 -0.35806626670000 -0.36849070360000 -2.24729797580000 5.73582687670000
0.31667103880000 -0.29320065700000 0.09850386350000 -0.03761388510000 0.03267769590000 -0.05381952940000 0.07248273310000 -0.09873019370000 0.38269105090000 -0.13727836940000 2.63409961860000 6.09325106460000 -7.16408178950000
0.28415629960000 -0.21957505900000 0.06218796450000 -0.02360698790000 0.01924363210000 -0.03367864650000 0.06165222030000 -0.04231775740000 -0.48192913650000 -0.61613441720000 -7.33089096040000 -7.74901303240000 6.44402819480000
0.15578433310000 0.21893059300000 -0.16690925450000 0.06588135220000 -0.05549491200000 0.09852770430000 -0.18022726260000 0.15248032170000 0.81206592870000 4.73849599360000 10.24125132760000 6.82465166760000 -4.82049804610000
0.13163552200000 0.58727646600000 -0.44268915960000 0.17788132370000 -0.16425067410000 0.27735051420000 -0.38119032540000 0.72028627330000 -3.90973086000000 -8.18175753840000 -9.51836258420000 -4.88714345960000 3.22832061830000
0.06268286270000 0.29221797240000 -0.06421861350000 0.00969519260000 0.00906658410000 -0.01490858230000 -0.02626560630000 -0.57600443340000 8.02369945070000 7.89330554380000 6.78252096600000 3.07476607650000 -1.99601558090000
0.00344559720000 0.00428260030000 0.63956556820000 -0.33107928110000 0.32737062170000 -0.70704199400000 1.78948695020000 -2.18235345230000 -9.13148702760000 -5.46473669820000 -4.03778992270000 -1.75705915790000 1.14459623610000
-0.00057950930000 -0.01245575050000 0.48665370920000 -0.28727321430000 0.25354917640000 -0.14552633000000 -1.88798430380000 5.01877261050000 7.07735267130000 3.09428939190000 2.11994084380000 0.92025887840000 -0.60468238790000
-0.00041338710000 -0.00309516680000 0.06304335610000 0.29141094240000 -0.67841992620000 1.49074962490000 -0.38965967120000 -5.47219520800000 -4.23381938640000 -1.53120956900000 -1.00804679420000 -0.44085540870000 0.29176705660000
0.00010708220000 0.00040839340000 0.00311189010000 0.67353412470000 -0.27034895320000 -0.64965346120000 2.28598646360000 4.07330102040000 2.11358616910000 0.68009009560000 0.43694380320000 0.19221100110000 -0.12776167060000
-0.00004559260000 -0.00019025340000 -0.00033576240000 0.25952014590000 0.35612795170000 -1.07938229970000 -2.39282097890000 -2.33262726610000 -0.92177670320000 -0.27478443580000 -0.17326447070000 -0.07639673320000 0.05088617840000
0.00001408060000 0.00005901140000 0.00014287790000 0.00070494660000 0.73806424440000 1.16195986640000 1.14433204850000 0.85565465860000 0.29244263070000 0.08367511050000 0.05215948640000 0.02300905560000 -0.01533790950000
* d-type functions
12 11
4441.25693950
1233.41420200
449.98345664
192.44602370
89.73828806
43.73534431
21.76241149
10.88292153
5.36425828
2.51816715
1.05970499
0.44594922
0.00046055970000 -0.00021156610000 0.00006994120000 -0.00012438000000 0.00016658160000 -0.00067466020000 0.00032092130000 -0.00358005210000 0.00167843330000 -0.04529053700000 0.07941311300000
0.00382407320000 -0.00177173040000 0.00062806030000 -0.00103528200000 0.00178518160000 0.00000933670000 0.01245624650000 0.00438808680000 -0.07431211230000 0.18515997680000 -1.61714596230000
0.02111214160000 -0.00982048650000 0.00326407670000 -0.00576643050000 0.00783271510000 -0.02990872330000 0.02017105790000 -0.16473313820000 -0.00411696850000 -2.13651553880000 1.90474274400000
0.07951316530000 -0.03768261070000 0.01338720540000 -0.02204711440000 0.03805155760000 -0.00173219090000 0.27813184060000 0.02426464160000 -2.13045959200000 3.37407842370000 -1.68213632260000
0.21073242100000 -0.10121004710000 0.03348226380000 -0.05970279510000 0.07879008020000 -0.34924970940000 0.17650392270000 -2.08081320740000 4.04815795680000 -3.34469400560000 1.34017253900000
0.37064833010000 -0.17543245920000 0.06422714070000 -0.10460965080000 0.19728322420000 0.26288118800000 1.34550211770000 4.60983738140000 -4.14888088020000 2.63213092760000 -0.99020390630000
0.37143234630000 -0.12970706800000 0.03300622490000 -0.08247034170000 0.07920324130000 -1.40669061660000 -3.86112118650000 -5.03382146630000 3.11190003900000 -1.79776506130000 0.67570005650000
0.15025141050000 0.18586444200000 -0.05875681250000 0.14800700330000 -0.19683978750000 3.89915805910000 4.16379838300000 3.67619493480000 -1.92117719300000 1.09223086100000 -0.41756080710000
0.01243188750000 0.48922429670000 -0.23857064780000 0.45147749690000 -1.48321591100000 -4.56123449660000 -2.72452569290000 -2.02701958750000 1.00968946170000 -0.58045210120000 0.22578730920000
-0.00416734090000 0.40098569560000 -0.05675580250000 0.11951294030000 2.79873355830000 3.00895456630000 1.31525052940000 0.89835334640000 -0.44923655970000 0.26218976290000 -0.10326956330000
-0.00107572450000 0.09446566810000 0.15283341210000 -1.60396820860000 -2.16078697930000 -1.39712166010000 -0.52578966780000 -0.34465023350000 0.17475872670000 -0.10314900970000 0.04092550270000
0.00002175700000 0.00186894350000 0.89190797040000 1.21103737190000 0.85662246070000 0.45911391490000 0.16180394500000 0.10585049400000 -0.05414979000000 0.03213465350000 -0.01278837870000
* f-type functions
10 10
236.73044939
80.83119933
33.66977249
15.40272362
7.26345652
3.40003295
1.53573471
0.64627437
0.23911952
0.08847348
0.00206243700000 -0.00208368430000 0.00232563020000 -0.00287982750000 0.00385515570000 -0.00356597680000 0.00606779580000 -0.04714105390000 0.00937206860000 -1.28593187540000
0.01665134260000 -0.01694132700000 0.01921435730000 -0.02059628280000 0.02605335010000 -0.03452806470000 0.11461872710000 -0.02194567930000 -1.55294779800000 1.17913902290000
0.06609831510000 -0.06722547320000 0.07516434030000 -0.09162156160000 0.12427494150000 -0.12286578620000 0.28946026720000 -1.61120825910000 1.98382308990000 -0.91045620740000
0.17270450050000 -0.17626822280000 0.20082464050000 -0.21553326880000 0.27152692960000 -0.35758109820000 0.98783367850000 2.65350468190000 -1.58393982740000 0.63181650230000
0.29628634970000 -0.26922034180000 0.25405965310000 -0.30503696590000 0.30712557710000 0.01212369340000 -2.37666088750000 -2.33871771280000 0.99379334240000 -0.38802056480000
0.34823110630000 -0.18588314720000 0.01701615800000 0.41508323990000 -1.15576249570000 1.17743946620000 2.33981782210000 1.48080379620000 -0.53331598880000 0.21043634790000
0.29815884050000 0.20016599530000 -0.64118576370000 0.54810266930000 0.77617328580000 -1.85569931690000 -1.52114961650000 -0.75976737350000 0.25253989030000 -0.10067437670000
0.17961665970000 0.52678842400000 -0.01658146970000 -0.87332593880000 0.25943478690000 1.72000270990000 0.78724682520000 0.33436555080000 -0.10578044120000 0.04219235940000
0.05118724670000 0.32995477230000 0.56218311790000 0.09230895960000 -0.94990662990000 -1.28444294440000 -0.36881223430000 -0.13523940580000 0.04077661100000 -0.01609063380000
-0.00663064870000 0.05651413940000 0.31695731300000 0.64908848620000 0.85057460500000 0.69529377130000 0.14068542540000 0.04718120600000 -0.01375013490000 0.00535410300000
* g-type functions
5 5
8.80655950
3.99525832
1.96900160
0.96265628
0.37781015
0.15496507790000 -0.39380022030000 0.50655716720000 -0.74784211000000 1.17228186720000
0.22338220710000 -0.38835765980000 0.27620971040000 0.44668998900000 -2.33074185150000
0.39887937890000 -0.20783249790000 -0.79767236270000 0.79855463790000 2.44209659270000
0.39248996180000 0.56682446460000 -0.05029901760000 -1.37088002950000 -1.52503589710000
0.17104986390000 0.33596611410000 0.73810742550000 0.89023959140000 0.56368286680000
* h-type functions
4 4
13.01554411
4.94056413
2.12641061
0.92297279
0.05306479380000 -0.19485490950000 0.33634308180000 -1.11995291410000
0.19408359640000 -0.59252535780000 0.71071497420000 1.17250066470000
0.53981309520000 -0.25569783610000 -1.27757273030000 -0.77914848000000
0.46747562400000 0.77569960980000 0.86653398910000 0.32145720250000
/Dy.ANO-R.Zobel.25s19p12d10f5g4h.17s14p11d10f5g4h.
J.P. Zobel, P.-O. Widmark, V. Veryazov. J. Chem. Theory Comput. 16 (2020) 278-294. doi:10.1021/acs.jctc.9b00873
DYSPROSIUM (25s,19p,12d,10f,5g,4h) -> [17s,14p,11d,10f,5g,4h]
66.0 5
* s-type functions
25 17
57719596.19700000
13123105.68700000
3440664.88040000
1014670.87190000
329693.47757000
116050.86361000
43651.58889000
17354.86811800
7230.16999280
3134.60492690
1406.29251060
649.70179438
307.68338889
148.64729167
72.85761330
35.98601721
17.76110596
8.66692141
4.12599700
1.88489922
0.80978097
0.31928414
0.11222695
0.03398294
0.01029022
0.00028028890000 -0.00011312710000 0.00005843560000 -0.00001614710000 0.00000943720000 -0.00000261690000 0.00000750520000 -0.00001237440000 0.00001805650000 -0.00000964890000 0.00002531420000 -0.00007127280000 0.00009353560000 -0.00021710130000 0.00104685940000 -0.00581413370000 0.02658706540000
0.00077729830000 -0.00031393060000 0.00016219590000 -0.00004481980000 0.00002619580000 -0.00000726490000 0.00002084090000 -0.00003436100000 0.00005006950000 -0.00002660630000 0.00006945310000 -0.00019982270000 0.00024351980000 -0.00053256570000 -0.00574537830000 0.02293183160000 -0.10242974030000
0.00176267780000 -0.00071282340000 0.00036838930000 -0.00010181390000 0.00005950180000 -0.00001649850000 0.00004730710000 -0.00007800230000 0.00011392840000 -0.00006112050000 0.00016092710000 -0.00044634850000 0.00061578160000 -0.00142564900000 0.01152844960000 -0.09762707160000 0.43424344860000
0.00366523160000 -0.00148634670000 0.00076882380000 -0.00021251990000 0.00012420990000 -0.00003445300000 0.00009887550000 -0.00016301010000 0.00023709660000 -0.00012500450000 0.00032395160000 -0.00096114430000 0.00105426910000 -0.00244660310000 -0.03687823230000 0.24747497770000 -1.19960406690000
0.00747770920000 -0.00304773060000 0.00157817210000 -0.00043649960000 0.00025503940000 -0.00007069550000 0.00020256880000 -0.00033404870000 0.00048964910000 -0.00026647800000 0.00071059860000 -0.00186566800000 0.00302932950000 -0.00524763250000 0.09280771300000 -0.09234485420000 1.93110172420000
0.01508992270000 -0.00620287840000 0.00322061440000 -0.00089118290000 0.00052084290000 -0.00014454410000 0.00041534500000 -0.00068466300000 0.00098989070000 -0.00050875610000 0.00128699300000 -0.00421231310000 0.00313794680000 -0.01506546130000 -0.27549351470000 -0.06456251720000 -2.68559510380000
0.03062470800000 -0.01276572470000 0.00664760410000 -0.00184269210000 0.00107596240000 -0.00029802240000 0.00085239900000 -0.00140606500000 0.00208115820000 -0.00117498630000 0.00323125850000 -0.00734324170000 0.01705839910000 -0.01200384520000 0.36224405180000 -0.40662969260000 4.17947581570000
0.06183828150000 -0.02637773330000 0.01383495700000 -0.00383926950000 0.00224341780000 -0.00062328920000 0.00179594500000 -0.00295991060000 0.00422128860000 -0.00204322130000 0.00486138420000 -0.01990283410000 0.00159857160000 -0.09506477450000 -0.43830958130000 2.05905251150000 -4.78932263790000
0.12127367660000 -0.05390949030000 0.02853206040000 -0.00795851220000 0.00463956930000 -0.00128321030000 0.00365768880000 -0.00603660530000 0.00911085410000 -0.00549927260000 0.01590946370000 -0.02736483150000 0.10936401440000 0.00660622900000 -0.04118540940000 -0.48488700580000 5.69479642960000
0.21689344910000 -0.10412846780000 0.05635802590000 -0.01579244550000 0.00921788950000 -0.00256651670000 0.00743480680000 -0.01225178730000 0.01701217760000 -0.00722674360000 0.01460827120000 -0.09610433800000 -0.08515123030000 -0.59806391730000 0.05427507020000 -1.61093402340000 -9.56491160720000
0.31336922120000 -0.17411155660000 0.09743930230000 -0.02777821570000 0.01611208720000 -0.00444112920000 0.01255939830000 -0.02075646400000 0.03282432470000 -0.02272315280000 0.07175604400000 -0.06137395350000 0.67665745920000 0.52323400050000 -3.15799294420000 0.43942409060000 14.11929003940000
0.28530448500000 -0.19532235830000 0.11638997850000 -0.03363734260000 0.01958759630000 -0.00550778360000 0.01633717890000 -0.02689651940000 0.03277989510000 -0.00374754850000 -0.02224886250000 -0.33645594490000 -1.12435676300000 -2.69350640640000 10.43052715310000 1.52771995640000 -1.566971853200e1
0.11010735070000 0.00245259540000 -0.01558592330000 0.00554724250000 -0.00333487130000 0.00111558720000 -0.00454643670000 0.00737094820000 0.00587288170000 -0.03821506630000 0.18180535500000 0.51784955890000 3.09522459610000 9.93504471490000 -1.581540052130e1 -2.21400544460000 14.05251181440000
0.02460551770000 0.44463165190000 -0.42766908990000 0.15191442190000 -0.08483337120000 0.02312024000000 -0.06384952600000 0.10661320360000 -0.20098443290000 0.19485605360000 -0.71778044330000 0.08787126550000 -1.047749773420e1 -1.613119564160e1 16.04110666520000 1.93293880800000 -1.105810466150e1
0.02101074370000 0.49146028330000 -0.68448979570000 0.27337291290000 -0.15347833790000 0.04380220360000 -0.13486791440000 0.22408681990000 -0.24358943970000 -0.06010807490000 0.59902862380000 3.72235859000000 19.23151649140000 16.49977206930000 -1.290820807390e1 -1.40266952230000 8.03324129280000
0.00458182230000 0.13662282770000 0.18941031250000 -0.11672722100000 0.06647241860000 -0.02094237390000 0.07634777860000 -0.12458504530000 -0.02618963860000 0.44049706290000 -2.10394845130000 -1.213347761400e1 -2.216742466080e1 -1.288154132830e1 9.03367651930000 0.93628763810000 -5.49186163760000
0.00196888560000 0.06173368260000 1.04406785970000 -0.93821225700000 0.52042924390000 -0.14297137230000 0.42421193520000 -0.76836025650000 1.91375429870000 -2.11849707880000 8.10695065310000 16.93682344840000 18.61207213160000 8.52573105780000 -5.75321750700000 -0.58900654760000 3.52620909950000
0.00016465730000 0.01538229350000 0.27174404960000 -0.06267636740000 0.03466161250000 -0.01832708120000 0.06230473750000 -0.00518721660000 -1.59438773100000 3.19535977560000 -1.460589790170e1 -1.469790892350e1 -1.247507163040e1 -5.03976285060000 3.38109326490000 0.34675010630000 -2.10231819860000
0.00022597080000 -0.00035479000000 -0.13525742730000 1.05695224530000 -0.83848219260000 0.27273779350000 -1.16829462850000 2.26042320020000 -2.83844010030000 -1.80022179280000 15.83825173010000 9.39369905620000 7.07126957800000 2.71199220590000 -1.82855716940000 -0.18836314280000 1.14981198730000
-0.00005514380000 -0.00070158540000 -0.04417085900000 0.33270120230000 -0.41228619280000 0.10818398760000 0.48498634390000 -1.79665777300000 6.77984702480000 -0.92592955500000 -1.217396665300e1 -4.91779115960000 -3.52397322510000 -1.33283497420000 0.90424699690000 0.09347091070000 -0.57248315120000
0.00003563290000 0.00020508730000 0.00092525590000 0.01214669480000 0.89318708850000 -0.31073239530000 0.97944579990000 -1.49411281160000 -6.52733725220000 2.97429723560000 7.42958366030000 2.25647138820000 1.58475796420000 0.59883861070000 -0.40805362100000 -0.04226617900000 0.25927219160000
-0.00001436210000 -0.00006749170000 -0.00057176010000 0.01605500450000 0.54799342210000 -0.51715179530000 -0.13490153610000 3.18275630160000 3.60025292490000 -3.74726540970000 -3.92772993660000 -0.94413154450000 -0.65460644870000 -0.24729892250000 0.16888405500000 0.01751049080000 -0.10748936290000
0.00000565800000 0.00003156490000 0.00022841720000 -0.00183706350000 -0.00367818980000 0.42333470770000 -1.50635510910000 -2.09132522670000 -0.83427277340000 3.59627382730000 1.94232072740000 0.36964263750000 0.25219745020000 0.09491259470000 -0.06485262240000 -0.00672660510000 0.04130524190000
-0.00000209570000 -0.00001247910000 -0.00010452750000 0.00074233370000 0.02808124890000 0.85317381060000 0.80809745790000 0.29259394340000 -0.52331235610000 -3.00255216650000 -0.98726547050000 -0.14068048530000 -0.09326043290000 -0.03473362390000 0.02371365940000 0.00245956200000 -0.01510630270000
0.00000060870000 0.00000346930000 0.00002595120000 -0.00022796240000 -0.00253414940000 0.00748245750000 0.37962030590000 0.50637035960000 0.59759400500000 1.68503252570000 0.41614546840000 0.04386081150000 0.02784318540000 0.01018630810000 -0.00694074270000 -0.00071969090000 0.00442116250000
* p-type functions
19 14
1764845.51740000
283774.01598000
61854.52914000
17085.60057200
5657.27144120
2146.31192250
899.94029912
405.35146679
191.84367868
93.77820312
46.70643046
23.43135054
11.71481013
5.77175427
2.76555191
1.26757702
0.54406946
0.21278710
0.08322163
0.00005107720000 -0.00004119790000 0.00001263310000 -0.00000478680000 0.00000427840000 -0.00000688680000 0.00000988770000 -0.00001178260000 0.00002083780000 -0.00005000500000 0.00007802940000 -0.00011843390000 0.00371524600000 -0.00847393080000
0.00020164040000 -0.00016291320000 0.00005000640000 -0.00001894920000 0.00001691950000 -0.00002726690000 0.00003935400000 -0.00004638850000 0.00007321480000 -0.00020966280000 0.00021560160000 -0.00095385630000 -0.01471240050000 0.03978267530000
0.00078242310000 -0.00063354310000 0.00019481530000 -0.00007381520000 0.00006605730000 -0.00010619800000 0.00015156200000 -0.00018304310000 0.00036437050000 -0.00072286010000 0.00164726370000 -0.00113035370000 0.05723128600000 -0.10720360300000
0.00281036000000 -0.00228480350000 0.00070405150000 -0.00026681130000 0.00023786520000 -0.00038408880000 0.00055932190000 -0.00064706590000 0.00081566440000 -0.00325366870000 0.00101533310000 -0.01784537720000 -0.17000313950000 0.36919054270000
0.00969258390000 -0.00793125010000 0.00245712580000 -0.00093102090000 0.00083488800000 -0.00133960100000 0.00189307120000 -0.00233970360000 0.00549581070000 -0.00816020350000 0.03014435700000 -0.00654909850000 0.58991624190000 -0.74588912270000
0.03099167970000 -0.02568944300000 0.00801583340000 -0.00303817980000 0.00270435380000 -0.00437754300000 0.00644403040000 -0.00729570070000 0.00650024960000 -0.04172273160000 -0.01182404280000 -0.27331996780000 -1.43407521920000 3.10430756620000
0.08746321310000 -0.07426607000000 0.02358757000000 -0.00893972460000 0.00803724320000 -0.01287580410000 0.01802580490000 -0.02285831170000 0.06218162040000 -0.07239903460000 0.39315945130000 -0.03374638620000 4.50684563840000 -4.25795386770000
0.19797421270000 -0.17504963380000 0.05692132950000 -0.02158839060000 0.01918567580000 -0.03118829150000 0.04670369160000 -0.05137158680000 0.01853448160000 -0.35207156660000 -0.33363984760000 -2.29414645380000 -7.74117227370000 3.44236489340000
0.31561281830000 -0.29321162630000 0.09885990130000 -0.03750842740000 0.03398833730000 -0.05415587700000 0.07351401520000 -0.10082355600000 0.38304805680000 -0.16739348680000 2.54531457060000 6.15332380300000 8.68984864710000 -2.20048652940000
0.28581662000000 -0.22324998140000 0.06393480140000 -0.02411482040000 0.02055687500000 -0.03487550820000 0.06201149790000 -0.03848465450000 -0.49617432260000 -0.56561635650000 -7.21182203860000 -7.84944090970000 -7.53152631960000 1.36227923980000
0.15740801560000 0.21464482120000 -0.16566821200000 0.06501913560000 -0.05723921150000 0.09856684740000 -0.17643554200000 0.13649207540000 0.88736844370000 4.66573232320000 10.14096186940000 6.95714266290000 5.57897215810000 -0.89383821530000
0.13243211070000 0.58819168100000 -0.44506688700000 0.17777338660000 -0.17156800460000 0.28010392750000 -0.39409894470000 0.75790344160000 -4.02139654760000 -8.05389181150000 -9.45095684290000 -5.01050429520000 -3.73792673310000 0.59934309210000
0.06336331410000 0.29449147240000 -0.06570788410000 0.01012230080000 0.00978246090000 -0.01430755270000 -0.01386926850000 -0.64588111430000 8.10800581810000 7.71392777560000 6.73232563140000 3.16110296610000 2.31678157640000 -0.38508354350000
0.00351123220000 0.00467870470000 0.64045487820000 -0.32968248710000 0.34335066900000 -0.72040664740000 1.79867852360000 -2.07563302270000 -9.17438267590000 -5.28921049640000 -3.99683733660000 -1.80566248080000 -1.33016015700000 0.22855572330000
-0.00055698810000 -0.01231338430000 0.48664777620000 -0.28448929360000 0.25307684550000 -0.11589038060000 -1.94065203810000 4.90596682680000 7.09855313380000 2.96749576850000 2.09003578840000 0.94346631380000 0.70235052010000 -0.12338788450000
-0.00041740610000 -0.00308086330000 0.06305332010000 0.28863876590000 -0.70732285720000 1.47002932910000 -0.30385702970000 -5.39592669270000 -4.24778375660000 -1.45783567170000 -0.98971517890000 -0.45063239490000 -0.33835030420000 0.06020218700000
0.00010996490000 0.00041347600000 0.00302838920000 0.67114861580000 -0.25131880360000 -0.66954113040000 2.21298676720000 4.04276443690000 2.12448402130000 0.64401444350000 0.42747872540000 0.19598441990000 0.14791015800000 -0.02648859040000
-0.00004662770000 -0.00019160930000 -0.00031722990000 0.26350595810000 0.36734401130000 -1.04485685230000 -2.35726309550000 -2.32927142750000 -0.92957444210000 -0.25928751220000 -0.16914263730000 -0.07781322510000 -0.05887241750000 0.01057320230000
0.00001440040000 0.00005938430000 0.00013799420000 0.00096974160000 0.71946131950000 1.15993087970000 1.13609618790000 0.85829842400000 0.29591266400000 0.07890038410000 0.05093209640000 0.02346045210000 0.01776702660000 -0.00319403230000
* d-type functions
12 11
4646.22659120
1287.64050890
469.09380153
200.46128458
93.45591376
45.55758351
22.68007285
11.34744172
5.59444212
2.62518138
1.10320087
0.46360688
0.00046082300000 -0.00021239160000 0.00007058440000 -0.00012789340000 0.00017326340000 -0.00065147590000 0.00035611810000 -0.00355240840000 0.00085941510000 -0.04487801520000 0.09251787070000
0.00381029200000 -0.00177127610000 0.00063046080000 -0.00106301960000 0.00176852670000 0.00045644140000 0.01230935920000 0.00403968730000 -0.05912172610000 0.15673801610000 -1.62779915180000
0.02102590810000 -0.00981357020000 0.00327782800000 -0.00590388610000 0.00808556640000 -0.02866459210000 0.02131966090000 -0.16393610570000 -0.01898867550000 -2.10036175240000 1.94320015360000
0.07929579910000 -0.03771053140000 0.01345294340000 -0.02266746210000 0.03776797690000 0.00845879040000 0.27590451040000 0.02178794350000 -2.11971687580000 3.33618847080000 -1.76196122640000
0.21056444460000 -0.10149312340000 0.03374442040000 -0.06133102350000 0.08210491300000 -0.33890984120000 0.19257387470000 -2.07969346950000 4.04379847020000 -3.31290454540000 1.43947709100000
0.37103097110000 -0.17628220170000 0.06478720050000 -0.10798230890000 0.19317651030000 0.31255453850000 1.33412416730000 4.61335506140000 -4.15401228170000 2.61023123560000 -1.07938937200000
0.37162636720000 -0.12962501610000 0.03322138670000 -0.08377540360000 0.09552434880000 -1.54634145780000 -3.81025219140000 -5.04168968390000 3.12195372410000 -1.78408030270000 0.74024257920000
0.14986291150000 0.18795285290000 -0.06007472480000 0.15510764200000 -0.24886976900000 4.04731970570000 4.02021436050000 3.68280556150000 -1.92925701190000 1.08375091170000 -0.45712814770000
0.01213957740000 0.48992966030000 -0.23992376560000 0.46980062950000 -1.40641093260000 -4.67699451140000 -2.55088113660000 -2.02887752740000 1.01331996410000 -0.57522353990000 0.24639264210000
-0.00431971210000 0.39941220260000 -0.05502662320000 0.07152658820000 2.75044195870000 3.08748243730000 1.19726598410000 0.89728793600000 -0.44996185750000 0.25927103430000 -0.11225779920000
-0.00109936400000 0.09370231210000 0.15940007990000 -1.56310456570000 -2.16104692720000 -1.43864395480000 -0.47030145070000 -0.34351817050000 0.17469412510000 -0.10180832810000 0.04435534140000
0.00002436530000 0.00191379460000 0.88648812970000 1.19791234920000 0.86761493700000 0.47383822820000 0.14375108630000 0.10549329590000 -0.05412625410000 0.03171863000000 -0.01385433730000
* f-type functions
10 10
247.20386919
84.39913117
35.16803534
16.09450082
7.58987361
3.55004126
1.60023208
0.67092942
0.24682084
0.09080020
0.00208182180000 -0.00220544270000 0.00258628600000 -0.00311884800000 0.00349719850000 -0.00330987160000 0.00374590910000 -0.04630045680000 0.03314735740000 -1.28558956780000
0.01683777110000 -0.01795384830000 0.02113943380000 -0.02209089290000 0.02516488880000 -0.03367917610000 0.12040873500000 -0.08775124440000 -1.57074060560000 1.15289770110000
0.06705091280000 -0.07153873280000 0.08392252700000 -0.09984893410000 0.11396449330000 -0.11483944690000 0.19472228910000 -1.54745198720000 2.06216940990000 -0.87702278450000
0.17481625680000 -0.18703802130000 0.22257152630000 -0.23444737390000 0.26994753950000 -0.35576521890000 1.12278480360000 2.53491297170000 -1.68743881080000 0.60489294380000
0.29781529920000 -0.28127964740000 0.27778422850000 -0.30733574750000 0.22641014980000 0.05343931740000 -2.49436090170000 -2.17066969850000 1.06934176730000 -0.37066601040000
0.34719987110000 -0.17918373800000 -0.05439681590000 0.60076392380000 -1.09704307540000 1.09110794340000 2.42158042440000 1.33506446030000 -0.57246707740000 0.20053914080000
0.29578521470000 0.22339860340000 -0.70008635550000 0.30280545860000 0.90774560710000 -1.78735016920000 -1.56519204230000 -0.66845343560000 0.26890035450000 -0.09555822440000
0.17912822440000 0.52900236100000 0.12155464420000 -0.88764979230000 0.02804327150000 1.69855460120000 0.80299150100000 0.28715471370000 -0.11156894380000 0.03985557390000
0.05421885540000 0.30809280030000 0.57791609980000 0.33879798060000 -0.82541092890000 -1.30558238640000 -0.37046495530000 -0.11294879010000 0.04262625890000 -0.01513594390000
-0.00264726190000 0.03578143340000 0.20073400010000 0.53112343390000 0.92115214030000 0.73706216960000 0.13873263810000 0.03848893990000 -0.01434724600000 0.00503422700000
* g-type functions
5 5
9.43627267
4.35974815
2.14147822
1.02197455
0.40609208
0.15625624410000 -0.39673910370000 0.54277318290000 -0.73247436680000 1.20077815590000
0.21902358840000 -0.37948021540000 0.23252267130000 0.45127192720000 -2.34836478830000
0.40751719390000 -0.20170184450000 -0.78815014340000 0.75961698410000 2.37327691920000
0.39121649480000 0.56140163350000 -0.03424787980000 -1.36101132110000 -1.46042864750000
0.16837649480000 0.33238101940000 0.71802889680000 0.92394352850000 0.55198502080000
* h-type functions
4 4
13.95967543
5.39940860
2.30890140
0.99047768
0.05279318090000 -0.19457463730000 0.29514727970000 -1.14369235520000
0.19999862380000 -0.59380684510000 0.73751196610000 1.16017020660000
0.53785311140000 -0.24411774770000 -1.28710443810000 -0.72795100350000
0.46914941930000 0.76871170990000 0.86598880200000 0.28516503930000
/Ho.ANO-R.Zobel.25s19p12d10f5g4h.16s12p10d10f5g4h.
J.P. Zobel, P.-O. Widmark, V. Veryazov. J. Chem. Theory Comput. 16 (2020) 278-294. doi:10.1021/acs.jctc.9b00873
HOLMIUM (25s,19p,12d,10f,5g,4h) -> [16s,12p,10d,10f,5g,4h]
67.0 5
* s-type functions
25 16
58269752.48400000
13345271.17600000
3519788.73610000
1042879.59660000
340061.19480000
120004.77558000
45215.58218900
17995.17093500
7500.88174240
3252.59933580
1459.24716210
674.14246561
319.26545746
154.26676097
75.63579015
37.37537488
18.45653847
9.01037456
4.29025269
1.95916734
0.84056586
0.33051540
0.11562859
0.03475636
0.01044728
0.00016638900000 -0.00026726140000 0.00003253380000 -0.00007094350000 0.00000924150000 -0.00000501750000 0.00001292370000 -0.00001214610000 0.00001850430000 -0.00000359610000 0.00003585200000 -0.00005092920000 0.00010117910000 -0.00160978830000 0.01751054830000 -0.04028104040000
0.00045985150000 -0.00073830470000 0.00009003200000 -0.00019611040000 0.00002555470000 -0.00001387530000 0.00003574830000 -0.00003359480000 0.00005107770000 -0.00000991360000 0.00009908630000 -0.00014603630000 0.00025533700000 0.00580930040000 -0.03347609150000 0.15386220780000
0.00103718920000 -0.00166375640000 0.00020354430000 -0.00044246500000 0.00005768930000 -0.00003132020000 0.00008065680000 -0.00007580850000 0.00011565220000 -0.00002249550000 0.00022386570000 -0.00031168530000 0.00051009960000 -0.01445145340000 0.09462130860000 -0.38810219250000
0.00214688230000 -0.00343733190000 0.00042360310000 -0.00091667150000 0.00011967730000 -0.00006498550000 0.00016749470000 -0.00015739220000 0.00023865450000 -0.00004624130000 0.00046387110000 -0.00071269800000 0.00236766890000 0.02002449270000 -0.29604755370000 0.88934668710000
0.00436684460000 -0.00696758490000 0.00086945030000 -0.00186686610000 0.00024426470000 -0.00013259580000 0.00034123730000 -0.00032079820000 0.00049192230000 -0.00009599460000 0.00094931520000 -0.00120943810000 -0.00120550230000 -0.03369368260000 0.60951778840000 -2.07466928140000
0.00880250370000 -0.01396413220000 0.00178121450000 -0.00377335950000 0.00049570760000 -0.00026923860000 0.00069479990000 -0.00065271200000 0.00098108150000 -0.00018901440000 0.00191836160000 -0.00333844770000 0.01415199270000 0.03781542300000 -1.24992331050000 3.48619451140000
0.01790777840000 -0.02813678930000 0.00371175710000 -0.00770283050000 0.00101797660000 -0.00055239390000 0.00141910360000 -0.00133497870000 0.00207561130000 -0.00040861380000 0.00397442280000 -0.00384258210000 -0.00939599710000 -0.08605923010000 2.78405007960000 -5.67191722340000
0.03645496490000 -0.05638572440000 0.00787391800000 -0.01579569150000 0.00210943600000 -0.00114634150000 0.00296644520000 -0.00278495240000 0.00410267870000 -0.00077970730000 0.00813145610000 -0.01780280760000 0.02644043050000 -0.12348388650000 -4.92165752780000 5.18027993810000
0.07296979060000 -0.10967309440000 0.01681094330000 -0.03195303010000 0.00434029420000 -0.00235357080000 0.00602611710000 -0.00567722400000 0.00907181110000 -0.00181677760000 0.01712946640000 -0.00655593010000 0.13020047020000 0.13965329080000 7.06297775960000 -2.12448836810000
0.13641493860000 -0.19425696380000 0.03528396700000 -0.06118759930000 0.00857684580000 -0.00466591520000 0.01214079150000 -0.01138533320000 0.01611220180000 -0.00297455520000 0.03284509820000 -0.10103113310000 -0.17906293360000 1.61335556810000 -5.15265108330000 0.08487678930000
0.21644673160000 -0.27678235180000 0.06678484360000 -0.10114661480000 0.01494138120000 -0.00808886360000 0.02055119390000 -0.01943920330000 0.03311987370000 -0.00688720360000 0.06074688560000 0.05888036070000 0.85557845220000 -6.08418494430000 0.50816088850000 1.29005076820000
0.22738011390000 -0.24752338610000 0.08704479180000 -0.11437263090000 0.01806516700000 -0.00987598820000 0.02633442650000 -0.02455394610000 0.02824293220000 -0.00431450370000 0.06650744700000 -0.49408101570000 -1.37304450180000 13.69858661010000 1.05046851190000 -2.68173527180000
0.02308951360000 -0.10683401360000 -0.02428388490000 0.00600327840000 -0.00317719070000 0.00189443600000 -0.00711139590000 0.00612801550000 0.01412442290000 -0.00575727830000 -0.00265897930000 1.02758337090000 3.61932685640000 -2.164930235820e1 0.87723121480000 2.88620182800000
-0.35619239530000 -0.08453672030000 -0.36553771530000 0.36947255370000 -0.07893872460000 0.04251497100000 -0.10582892440000 0.10259395350000 -0.21709804430000 0.05013810750000 -0.38351329690000 -1.84426184720000 -1.125089710320e1 24.52734536640000 -2.86359402150000 -2.04243211350000
-0.37386311750000 -0.08695848350000 -0.49915587000000 0.62425640850000 -0.14226276280000 0.07838221630000 -0.21837835890000 0.20578514760000 -0.18998894010000 0.02135827690000 -0.64924712800000 7.10088245180000 19.15618118670000 -2.135163188460e1 3.24390653260000 1.16672146540000
-0.14310692620000 -0.02300270670000 0.03160283790000 -0.21955262700000 0.06251916190000 -0.03622640460000 0.12113567950000 -0.10525519060000 -0.13102794150000 0.06119543840000 0.59183003350000 -1.607356799300e1 -2.032474767980e1 15.53630565320000 -2.57631660230000 -0.64041903560000
-0.08820624430000 0.06201361300000 0.21084058710000 -1.38272631670000 0.48418289240000 -0.26216417700000 0.73202289430000 -0.82630243820000 2.16571343800000 -0.54349876790000 4.79275846740000 21.13282031660000 15.73747107340000 -1.003585186670e1 1.70466523330000 0.36698313780000
-0.05679970500000 -0.01811287780000 0.16391163230000 -0.21154807000000 0.02323666380000 -0.02005963350000 0.02242206890000 0.21689672130000 -2.22609692380000 0.72600646840000 -1.185316586090e1 -1.893720161090e1 -9.93125853310000 5.91159927800000 -1.00509615320000 -0.21256352380000
-0.16571328440000 -0.17923086950000 0.50879407440000 0.88501974260000 -0.75580773250000 0.44732363350000 -1.96788182350000 2.30722317720000 -1.91962417200000 0.02825148380000 13.99805857120000 12.98102866100000 5.44693019460000 -3.18870506230000 0.53948557020000 0.11671003970000
-0.05079006950000 -0.05551349760000 0.15743108030000 0.27745121540000 -0.37685918980000 0.20302339350000 1.10729116780000 -3.02851697100000 6.28121335760000 -1.24263541890000 -1.098556487430e1 -7.34517988350000 -2.67741455790000 1.56964959180000 -0.26434471320000 -0.05858469830000
-0.00519883670000 -0.00497451070000 0.01599980060000 0.01939506690000 0.78302261780000 -0.48737417070000 1.63644470270000 0.56340670840000 -7.06901518600000 2.16924446500000 6.59354541330000 3.60305160870000 1.19680309420000 -0.70458321450000 0.11831915440000 0.02663649400000
-0.00470726560000 -0.00477884660000 0.01508394870000 0.02051406890000 0.42835749750000 -0.59780934860000 -1.53254980320000 2.16257047110000 5.01555972620000 -2.63510938800000 -3.28239927380000 -1.57988156190000 -0.49164066250000 0.29004125200000 -0.04864110110000 -0.01103332030000
0.00053522500000 0.00057079420000 -0.00176810180000 -0.00263003280000 0.07489521800000 0.32073346510000 -0.46950702520000 -2.69958101320000 -2.38818810920000 2.82230440090000 1.41833923710000 0.63054407950000 0.18782535140000 -0.11082064600000 0.01857702360000 0.00422496540000
0.00058596800000 0.00055770710000 -0.00183933390000 -0.00211382670000 0.23865475860000 0.85462177790000 0.64086887590000 1.17107294730000 0.49191258380000 -2.87523968000000 -0.55385441820000 -0.23458620140000 -0.06844897550000 0.04038693510000 -0.00676901940000 -0.00154109670000
0.00006626150000 0.00006999930000 -0.00021778620000 -0.00031810740000 0.00636115820000 0.03387478320000 0.04904297420000 0.14661941260000 0.24981705130000 1.89482308490000 0.16359850230000 0.06791712020000 0.02000674690000 -0.01182575070000 0.00198134950000 0.00045194610000
* p-type functions
19 12
1877981.44460000
302014.56080000
65705.06786100
18094.72128100
5971.18371150
2258.06864910
944.16466036
424.34975922
200.52914196
97.92957585
48.74661443
24.44563488
12.21662011
6.01459859
2.87834303
1.31676291
0.56368691
0.21972116
0.08564575
0.00002466630000 -0.00006191870000 0.00001269400000 -0.00000480270000 0.00000415200000 -0.00000724480000 0.00001001960000 -0.00001247930000 0.00002620700000 -0.00003122830000 0.00005636890000 -0.00379056390000
0.00009681720000 -0.00024350990000 0.00005007540000 -0.00001892330000 0.00001634210000 -0.00002854960000 0.00003967900000 -0.00004862290000 0.00010174920000 -0.00015691670000 0.00007039320000 0.01400995440000
0.00037292440000 -0.00094028410000 0.00019422550000 -0.00007327340000 0.00006342700000 -0.00011053210000 0.00015200520000 -0.00019307440000 0.00040796340000 -0.00031983580000 0.00174326280000 -0.05418056440000
0.00132719390000 -0.00336221310000 0.00069934160000 -0.00026309760000 0.00022683730000 -0.00039708880000 0.00055661060000 -0.00066305380000 0.00137879930000 -0.00299233590000 -0.00250010030000 0.18942561270000
0.00453591010000 -0.01157464660000 0.00243906310000 -0.00091330530000 0.00079230010000 -0.00137789710000 0.00187690730000 -0.00246601590000 0.00527159350000 -0.00080481260000 0.03516276370000 -0.70756063760000
0.01434500440000 -0.03716316080000 0.00800540380000 -0.00297177230000 0.00255781830000 -0.00448907890000 0.00635917570000 -0.00732368590000 0.01516539130000 -0.04487507370000 -0.07008914870000 2.02875298480000
0.03988620950000 -0.10624626260000 0.02392180540000 -0.00874406450000 0.00760594630000 -0.01320538960000 0.01782201580000 -0.02429481930000 0.05295968170000 0.02263390430000 0.46381400360000 -5.10701873660000
0.08807718270000 -0.24654466300000 0.05928499850000 -0.02116806310000 0.01818620730000 -0.03205849000000 0.04617451870000 -0.05074715390000 0.10590478220000 -0.43930772410000 -0.92038552270000 6.51940806700000
0.13638561560000 -0.40613544010000 0.10616788330000 -0.03698578470000 0.03243712390000 -0.05600171480000 0.07338293310000 -0.11157768980000 0.25232230200000 0.52310306420000 4.01668277540000 -5.42030796960000
0.13822002730000 -0.33921695660000 0.06318621490000 -0.02426960390000 0.01997792070000 -0.03679615820000 0.06242839300000 -0.02355608100000 0.01684733860000 -2.23005853670000 -8.64000654070000 3.81414616430000
0.18905729070000 0.07098920370000 -0.23685773830000 0.06352898800000 -0.05390337620000 0.10087659810000 -0.17239390530000 0.09654691930000 -0.52231003460000 6.81795669380000 10.32176912910000 -2.61963468190000
0.27847634920000 0.37018719840000 -0.59171909610000 0.17561745870000 -0.16409571160000 0.29045554020000 -0.39621194300000 0.89724324610000 -1.95497496530000 -1.046307313500e1 -8.52181065210000 1.75995022640000
0.18283490880000 0.20381770700000 -0.14573494630000 0.00997557240000 0.01006142470000 -0.01545468810000 -0.01722224500000 -0.90188177570000 6.15792029640000 10.30650341720000 5.61696965230000 -1.11375567890000
0.18824666370000 0.06678718460000 0.60863019600000 -0.32372362590000 0.32256490730000 -0.74192266330000 1.79532568320000 -1.78206058670000 -7.84046332910000 -7.61727867580000 -3.21558328360000 0.64946739530000
0.13227673840000 0.03927831790000 0.46663983740000 -0.27804852380000 0.24064273090000 -0.10372692880000 -1.92847026000000 4.65964335810000 6.39702593640000 4.62476446450000 1.66213305500000 -0.34564450080000
0.01629926610000 0.00410266770000 0.06160439390000 0.27653573440000 -0.65128363060000 1.45225534270000 -0.31318386910000 -5.22638003810000 -3.95914559750000 -2.42318998940000 -0.78523351720000 0.16703732400000
0.00102523880000 0.00054379990000 0.00227541610000 0.66548497360000 -0.25567793930000 -0.60012380790000 2.21101527330000 3.93628247250000 2.03463239040000 1.12478983830000 0.33910312430000 -0.07311037550000
-0.00025214040000 -0.00017490700000 -0.00033149990000 0.27562952080000 0.27755187930000 -1.09278272560000 -2.33688732340000 -2.26399308550000 -0.91085056400000 -0.47057752090000 -0.13422232360000 0.02913422460000
0.00007572640000 0.00005373310000 0.00009342440000 0.00456105140000 0.79142216090000 1.13349781730000 1.11152506720000 0.82867883170000 0.29384900600000 0.14651679100000 0.04048338330000 -0.00881128200000
* d-type functions
12 10
4856.22261910
1343.29860490
488.68853383
208.66182344
97.25132213
47.41510836
23.61469353
11.82029022
5.82858013
2.73387576
1.14726772
0.48144954
0.00045800580000 -0.00022016280000 0.00009102080000 -0.00013399020000 0.00018250470000 -0.00056953010000 0.00002927900000 -0.00421955390000 0.00102546340000 -0.02695725880000
0.00376972910000 -0.00182716940000 0.00077726650000 -0.00120019090000 0.00159939030000 -0.00446922260000 -0.01015237160000 0.00595224230000 -0.09685398340000 0.11253896830000
0.02078990810000 -0.01011765660000 0.00419467810000 -0.00617879570000 0.00841315690000 -0.02674124010000 -0.00205345200000 -0.19673543760000 -0.04608826940000 -2.04241003590000
0.07850076420000 -0.03890718490000 0.01660301720000 -0.02564414100000 0.03423381210000 -0.09945407170000 -0.22519769870000 0.11764980680000 -2.04894017820000 3.35874836600000
0.20883824870000 -0.10489623980000 0.04354413760000 -0.06382735840000 0.08732584800000 -0.28901794130000 0.00768817530000 -2.26618530460000 3.90066181420000 -3.37798614390000
0.36864223720000 -0.18257773460000 0.07922211590000 -0.12607891220000 0.16548481500000 -0.43574980680000 -1.54297737250000 4.68526849820000 -3.98078078700000 2.65284357930000
0.36971691300000 -0.13511533710000 0.04911542300000 -0.07405220870000 0.15237275870000 0.29367556880000 4.33756620660000 -4.93026440020000 3.00117227040000 -1.79952553750000
0.15237728860000 0.18734342010000 -0.09103852440000 0.14556350180000 -0.40299967080000 1.98053515310000 -5.44754610150000 3.56378758110000 -1.87798067800000 1.08814667000000
0.01949203030000 0.48904908230000 -0.28405380830000 0.65443320130000 -1.12924795460000 -3.26121608280000 4.28527151960000 -1.98782057000000 1.00109000860000 -0.57666077490000
0.00173984600000 0.39842590480000 -0.12886798310000 -0.36949944280000 2.58517414500000 2.42915127650000 -2.38880851270000 0.89499790170000 -0.44963580950000 0.25974081590000
0.00034004280000 0.09462177810000 0.49178426810000 -1.15904108430000 -2.27897330580000 -1.21546829300000 1.05123542200000 -0.34737151590000 0.17583357910000 -0.10194765810000
0.00005038590000 0.00191449160000 0.63129307100000 1.19051041100000 1.04461690740000 0.42222074920000 -0.34457950420000 0.10767168850000 -0.05471830020000 0.03178573890000
* f-type functions
10 10
257.51449224
87.90616338
36.64045516
16.77365024
7.90940134
3.69606683
1.66240656
0.69427532
0.25384993
0.09281590
0.00208596200000 -0.00235547000000 0.00272372980000 -0.00306715750000 0.00351881910000 -0.00408200960000 0.00306862750000 -0.04320717780000 0.02360031700000 -1.28585461730000
0.01688977980000 -0.01918756120000 0.02202116480000 -0.02185865290000 0.02805699770000 -0.04986027750000 0.07786265070000 -0.02405880570000 1.52537335370000 1.21888621410000
0.06741282160000 -0.07669049750000 0.08860960430000 -0.09864426140000 0.11632889360000 -0.15089691380000 0.18022793960000 -1.63718566370000 -1.94951387690000 -0.96685274120000
0.17526237220000 -0.19967126730000 0.23353849170000 -0.23622216120000 0.31056789770000 -0.56980315210000 1.01986074780000 2.58575254480000 1.56925473640000 0.68144159220000
0.29642899780000 -0.29490307890000 0.28619604980000 -0.28764887650000 0.16066823570000 0.63370801440000 -2.42196934410000 -2.17179356140000 -1.00411436320000 -0.42092453810000
0.34341094360000 -0.17213579940000 -0.11963965610000 0.64231295970000 -1.09968142810000 0.42770618960000 2.59635775480000 1.31554797550000 0.54980662600000 0.22771419430000
0.29465304620000 0.24057211450000 -0.68602928820000 0.19154440530000 0.99090041240000 -1.32854332460000 -1.91669348320000 -0.64838226010000 -0.26388090780000 -0.10801004370000
0.18534035070000 0.51358207040000 0.17600168320000 -0.82242554920000 -0.06847869140000 1.48431684320000 1.15580951140000 0.27199767520000 0.11162235880000 0.04474169330000
0.06350175410000 0.29701632900000 0.55620210840000 0.32715567980000 -0.75318078100000 -1.23319026950000 -0.64305177780000 -0.10260641720000 -0.04347110920000 -0.01684112880000
0.00210854190000 0.03448188940000 0.18800619340000 0.55722458790000 0.87715569610000 0.71878507450000 0.28915183060000 0.03289340210000 0.01474937690000 0.00554682600000
* g-type functions
5 5
10.31765875
4.80527857
2.35509511
1.12118633
0.44863822
0.15027491970000 -0.38938918440000 0.55195021510000 -1.06383774070000 0.94171374900000
0.21578266100000 -0.37827956710000 0.21071104500000 1.11105479350000 -2.13300935940000
0.40069363110000 -0.21041922840000 -0.71661018980000 0.06890836040000 2.50659591940000
0.39214478940000 0.52201392280000 -0.13044851550000 -0.89785785200000 -1.79425070550000
0.18895504110000 0.36736942160000 0.74674185080000 0.70682342000000 0.77694836990000
* h-type functions
4 4
14.96721469
5.88563336
2.50264409
1.05972507
0.05371546350000 -0.19650251560000 0.38315939880000 -1.12838391040000
0.21025733000000 -0.60350340840000 0.62102755270000 1.22544397400000
0.54125921660000 -0.20961985750000 -1.20976582660000 -0.82179158090000
0.46126539410000 0.75506577570000 0.83959777360000 0.34814372810000
/Er.ANO-R.Zobel.25s19p12d10f5g4h.17s13p11d10f5g4h.
J.P. Zobel, P.-O. Widmark, V. Veryazov. J. Chem. Theory Comput. 16 (2020) 278-294. doi:10.1021/acs.jctc.9b00873
ERBIUM (25s,19p,12d,10f,5g,4h) -> [17s,13p,11d,10f,5g,4h]
68.0 5
* s-type functions
25 17
58741043.59500000
13545709.70400000
3592430.69550000
1068997.57430000
349706.57902000
123694.33912000
46678.39891900
18595.31582200
7755.21631270
3363.77905400
1509.32230330
697.35341479
330.31834917
159.65709504
78.31452052
38.72141347
19.13306359
9.34554064
4.45086586
2.03183894
0.87066929
0.34147598
0.11893832
0.03550733
0.01060020
0.00030956170000 -0.00012590890000 0.00006910370000 -0.00001855910000 0.00001064600000 -0.00000284330000 0.00000873230000 -0.00001355960000 0.00001220070000 -0.00001873080000 0.00002870470000 -0.00007438850000 0.00010412110000 -0.00023355170000 0.00074101170000 -0.01094624460000 0.00824438770000
0.00085169420000 -0.00034664590000 0.00019029700000 -0.00005111040000 0.00002931910000 -0.00000783120000 0.00002405750000 -0.00003735460000 0.00003358560000 -0.00005148110000 0.00007820870000 -0.00020790910000 0.00027042090000 -0.00061025880000 0.00087595020000 0.03527863530000 -0.06470483370000
0.00190826730000 -0.00077770570000 0.00042706170000 -0.00011472000000 0.00006580300000 -0.00001757270000 0.00005396010000 -0.00008379450000 0.00007543620000 -0.00011593410000 0.00017875730000 -0.00045517980000 0.00067038050000 -0.00145588600000 -0.00015366820000 -0.09859203700000 0.13726911150000
0.00391958930000 -0.00160192620000 0.00088047590000 -0.00023657590000 0.00013570790000 -0.00003625380000 0.00011141330000 -0.00017297920000 0.00015537390000 -0.00023766870000 0.00035666670000 -0.00098220800000 0.00114833050000 -0.00298539240000 0.01217657770000 0.26446989710000 -0.33460553490000
0.00790141760000 -0.00324578660000 0.00178608320000 -0.00048019450000 0.00027537860000 -0.00007351860000 0.00022560840000 -0.00035041310000 0.00031607050000 -0.00048766120000 0.00076856810000 -0.00183464920000 0.00320853500000 -0.00559518550000 -0.01569477690000 -0.65180507060000 0.54111256120000
0.01574776940000 -0.00652473980000 0.00360048330000 -0.00096866480000 0.00055562880000 -0.00014850970000 0.00045692290000 -0.00070924190000 0.00063502580000 -0.00096482700000 0.00139071070000 -0.00427880610000 0.00337957500000 -0.01538456110000 0.14376676370000 1.30688955190000 -1.63776165890000
0.03156589840000 -0.01326342170000 0.00734194660000 -0.00197872700000 0.00113406320000 -0.00030253330000 0.00092685420000 -0.00144024170000 0.00130602000000 -0.00203650040000 0.00339166380000 -0.00678925590000 0.01758417330000 -0.01371976350000 -0.33535407310000 -2.42990351190000 3.82572636750000
0.06296623010000 -0.02707082010000 0.01509631670000 -0.00407549060000 0.00233724190000 -0.00062540500000 0.00192916600000 -0.00299311590000 0.00266024260000 -0.00397856430000 0.00519032480000 -0.02043958470000 0.00201767100000 -0.09678287270000 0.71511509440000 4.10082062670000 -7.14941674960000
0.12211582960000 -0.05467737150000 0.03077724610000 -0.00835187990000 0.00477946650000 -0.00127313640000 0.00388806620000 -0.00604693570000 0.00554368920000 -0.00882769700000 0.01620621500000 -0.02233712160000 0.11047829570000 0.00370203450000 -0.31204682100000 -6.44405613010000 7.33898737280000
0.21637193520000 -0.10442438200000 0.06012605420000 -0.01641460810000 0.00940351780000 -0.00252175550000 0.00781865560000 -0.01212242020000 0.01061916910000 -0.01537591330000 0.01569311290000 -0.10177736590000 -0.08602976970000 -0.59632792090000 0.41619771420000 11.34360612250000 -3.96222411150000
0.31072309620000 -0.17271373310000 0.10282999750000 -0.02857289150000 0.01627392430000 -0.00431976920000 0.01309437130000 -0.02041074900000 0.01922524650000 -0.03213807130000 0.07111512970000 -0.02584855690000 0.67792519780000 0.52320768080000 2.29003098360000 -1.709276433710e1 1.16852301350000
0.28293896490000 -0.19159667440000 0.12131779050000 -0.03428771740000 0.01960054970000 -0.00531024840000 0.01684418160000 -0.02602606230000 0.02126276470000 -0.02575178130000 -0.01850370660000 -0.39555960450000 -1.13654215270000 -2.67958124150000 -9.29827746620000 19.52163845430000 -0.41796477640000
0.11079604780000 0.00345240450000 -0.01817212850000 0.00663423130000 -0.00386990510000 0.00122319750000 -0.00508986590000 0.00755519060000 -0.00124223470000 -0.01571790310000 0.17159610940000 0.69786390140000 3.20051779270000 9.90265259890000 14.75573377160000 -1.793479234460e1 0.56480928830000
0.02702435070000 0.43054593660000 -0.44335134680000 0.15660581820000 -0.08607278720000 0.02258727220000 -0.06705515540000 0.10588492830000 -0.11097990870000 0.21571322370000 -0.69958540540000 -0.47789254070000 -1.071753592490e1 -1.604084805320e1 -1.523264325380e1 14.32969543790000 -0.67932271040000
0.02320872420000 0.46842468520000 -0.69889154670000 0.28081096520000 -0.15523712920000 0.04269728680000 -0.14057993820000 0.21846987450000 -0.16965792730000 0.16679369830000 0.54245603150000 4.71829241810000 19.34330503830000 16.31107402540000 12.35689056870000 -1.048728390830e1 0.60432134960000
0.00551760720000 0.14268679690000 0.19437271240000 -0.12809263270000 0.07184537650000 -0.02170604290000 0.08296571570000 -0.12456119550000 0.04113814730000 0.15545124880000 -2.01953493400000 -1.330202233080e1 -2.186066956480e1 -1.262993215550e1 -8.67661751580000 7.18554688460000 -0.44726402900000
0.00314458460000 0.09293872620000 1.03611359190000 -0.95377938050000 0.52577375100000 -0.13912418170000 0.44923130440000 -0.76557730760000 0.99305418480000 -2.18785854270000 8.09818493700000 17.98325420600000 18.00739880790000 8.28589716210000 5.52651999550000 -4.60937289010000 0.29392608100000
0.00046071240000 0.02323064640000 0.26261412530000 -0.04223534320000 0.02016389510000 -0.01369434680000 0.03490804060000 0.04541964120000 -0.63967683790000 2.43172094810000 -1.470569876850e1 -1.544026660900e1 -1.189590477710e1 -4.85882467160000 -3.23961680490000 2.73921518160000 -0.17548345340000
0.00017818510000 -0.00317429570000 -0.12676863460000 1.05410801520000 -0.83787754870000 0.26281729950000 -1.20560385910000 2.14797965800000 -1.94103187980000 1.40107868350000 15.90445226750000 9.80882538050000 6.67712333520000 2.59562052050000 1.74328982650000 -1.49012677800000 0.09539462210000
-0.00007568550000 -0.00161262490000 -0.04089155980000 0.32489288680000 -0.39648387240000 0.09939134270000 0.56828995640000 -1.74345981960000 3.60185041830000 -5.71266776750000 -1.205305970790e1 -5.09893255230000 -3.30090245280000 -1.26588022970000 -0.85584022550000 0.73643581590000 -0.04708011930000
0.00003659920000 0.00020689270000 0.00073493720000 0.01399828310000 0.88633512320000 -0.29578638280000 0.94035814810000 -1.35865997590000 -2.34633333400000 6.88711238120000 7.10848700700000 2.31431763180000 1.47102272530000 0.56369998610000 0.38272072100000 -0.33049321190000 0.02110785310000
-0.00001510710000 -0.00009148050000 -0.00070098450000 0.01686474780000 0.54801266670000 -0.50198371200000 -0.19227632780000 2.86493081490000 -0.21150881210000 -5.44796713570000 -3.49470727030000 -0.95180314790000 -0.60062115890000 -0.23045436490000 -0.15681108610000 0.13564142010000 -0.00865863210000
0.00000582150000 0.00003661770000 0.00023060160000 -0.00178554860000 -0.00408896840000 0.40129367920000 -1.37811965270000 -1.71645445850000 1.98316923890000 3.42562673920000 1.49920903070000 0.36227214250000 0.22795012290000 0.08754885770000 0.05963041040000 -0.05161723420000 0.00329425290000
-0.00000214880000 -0.00001412750000 -0.00009223950000 0.00068796570000 0.02543516380000 0.86676986280000 0.67812205420000 -0.02489973000000 -2.36386362050000 -1.99325047170000 -0.60402127780000 -0.13171248820000 -0.08275168110000 -0.03179686220000 -0.02166503600000 0.01875850540000 -0.00119710920000
0.00000062410000 0.00000397990000 0.00002500850000 -0.00024477110000 -0.00249789730000 0.00322990410000 0.44652902410000 0.68424808300000 1.46457239570000 0.89358875970000 0.19827005330000 0.03873052600000 0.02426923200000 0.00932043400000 0.00635085200000 -0.00549915840000 0.00035094100000
* p-type functions
19 13
1999053.94570000
321492.94665000
69812.05638400
19170.07637300
6305.36058660
2376.87289030
991.08412563
444.45398997
209.69390666
102.29811686
50.88921302
25.50997433
12.74347980
6.27002774
2.99728634
1.36875252
0.58442767
0.22701214
0.08817945
0.00005272480000 -0.00004226350000 0.00001309460000 -0.00000492490000 0.00000434470000 -0.00000730480000 0.00001035030000 -0.00001227230000 0.00002078690000 -0.00005180520000 0.00008125450000 -0.00018975530000 0.00342451260000
0.00020625750000 -0.00016561690000 0.00005136570000 -0.00001931980000 0.00001702700000 -0.00002866160000 0.00004077080000 -0.00004776810000 0.00007278050000 -0.00021467230000 0.00023244280000 -0.00067406470000 -0.01943689050000
0.00079071970000 -0.00063634550000 0.00019771200000 -0.00007435770000 0.00006567820000 -0.00011028430000 0.00015557210000 -0.00018717830000 0.00035427810000 -0.00073573910000 0.00164602430000 -0.00225416710000 0.05207740270000
0.00280242070000 -0.00226449200000 0.00070505790000 -0.00026520920000 0.00023337150000 -0.00039363780000 0.00056383280000 -0.00064675910000 0.00079440530000 -0.00324300960000 0.00128447780000 -0.01441090000000 -0.18233615420000
0.00956277730000 -0.00777760770000 0.00243440860000 -0.00091558020000 0.00081041960000 -0.00135797970000 0.00190101320000 -0.00234779730000 0.00522750310000 -0.00810693230000 0.02931907710000 -0.01666883150000 0.27077447860000
0.03040814380000 -0.02504978460000 0.00789554510000 -0.00297034820000 0.00260947830000 -0.00441305150000 0.00637725880000 -0.00712879950000 0.00616364640000 -0.04099852480000 -0.00832608560000 -0.24971064280000 -0.94648290980000
0.08586040850000 -0.07242925920000 0.02322698160000 -0.00873780000000 0.00775476930000 -0.01297115890000 0.01802589560000 -0.02292244060000 0.05903390540000 -0.07100883710000 0.38152829110000 -0.05187093290000 -1.01069436290000
0.19558599030000 -0.17173984040000 0.05635320220000 -0.02121339390000 0.01860485760000 -0.03160352080000 0.04632222450000 -0.04999763130000 0.01692392590000 -0.34828583170000 -0.30112452610000 -2.27963449650000 4.15801882040000
0.31556108480000 -0.29111160240000 0.09899870420000 -0.03728193720000 0.03335371510000 -0.05546896290000 0.07535019900000 -0.10442198860000 0.36969197020000 -0.16750708090000 2.50152868560000 6.11097613870000 -5.64295803380000
0.29053580730000 -0.22820882990000 0.06685674250000 -0.02504221540000 0.02109962930000 -0.03744282390000 0.06245712580000 -0.03361895150000 -0.47264804480000 -0.61277046250000 -7.12957584240000 -7.79461248320000 5.20261008230000
0.15917253710000 0.20803417860000 -0.16276773590000 0.06339138390000 -0.05500305020000 0.09923204100000 -0.16863445180000 0.11174755850000 0.90625561770000 4.72229318400000 10.00008676210000 6.91724949910000 -3.92249671880000
0.12997866180000 0.59179174520000 -0.44811046320000 0.17747580080000 -0.16940277390000 0.28829847520000 -0.41719039760000 0.82082201220000 -4.06364990090000 -8.02964452970000 -9.28832448990000 -4.98702227720000 2.62905320610000
0.06254343030000 0.29926062040000 -0.06761001090000 0.01081478770000 0.00982071410000 -0.01337842950000 0.01226782870000 -0.75403695020000 8.11247342550000 7.59731283330000 6.59628042010000 3.14448066420000 -1.61967002660000
0.00328936840000 0.00403926940000 0.64229055920000 -0.32709900290000 0.33652945510000 -0.73924118150000 1.78338036280000 -1.92128513820000 -9.14174262540000 -5.14678359510000 -3.90423160880000 -1.79126133660000 0.92243571440000
-0.00065589150000 -0.01308649670000 0.48644503880000 -0.27914263580000 0.23821287860000 -0.09306878680000 -1.95276897790000 4.73615651420000 7.06286766980000 2.85689378600000 2.03440449380000 0.93175718860000 -0.48303558840000
-0.00043211530000 -0.00318447370000 0.06288197470000 0.28423381640000 -0.68045128250000 1.43716691500000 -0.25870562770000 -5.25839849290000 -4.22583268450000 -1.39173546600000 -0.95953545080000 -0.44274938600000 0.23096310260000
0.00011103470000 0.00041743200000 0.00285405450000 0.66672059510000 -0.22955877240000 -0.61553340600000 2.15485322580000 3.95619575060000 2.11546049280000 0.61093631950000 0.41297222540000 0.19170959960000 -0.10039764690000
-0.00004693390000 -0.00019302910000 -0.00029629910000 0.27021429840000 0.29501524070000 -1.07044634940000 -2.30167048980000 -2.28228680130000 -0.92745827530000 -0.24502679330000 -0.16316495220000 -0.07597693520000 0.03986553070000
0.00001450360000 0.00005983070000 0.00012873690000 0.00162717360000 0.77050078910000 1.13949857240000 1.09860055110000 0.83843384840000 0.29580746690000 0.07457729670000 0.04924656100000 0.02295983700000 -0.01205647340000
* d-type functions
12 11
5075.23240210
1400.64179640
508.75311079
217.04181128
101.12993278
49.31418858
24.56993946
12.30281942
6.06684041
2.84408803
1.19180063
0.49941800
0.00046241990000 -0.00021240200000 0.00007032520000 -0.00013384180000 0.00018230930000 -0.00062655660000 0.00051596660000 -0.00341398750000 0.00052085340000 -0.04623387760000 0.06605042790000
0.00379182630000 -0.00175689350000 0.00062443810000 -0.00109468580000 0.00175220120000 0.00058137320000 0.01181504160000 0.00203285910000 -0.06821611910000 0.20209950710000 -1.59699815840000
0.02090128360000 -0.00972407790000 0.00323416490000 -0.00612118700000 0.00840015330000 -0.02752582640000 0.02781826720000 -0.15960496740000 -0.04497007980000 -2.14691978340000 1.85428225070000
0.07902827810000 -0.03747309550000 0.01334901010000 -0.02339133190000 0.03750415810000 0.01163844710000 0.26959900990000 -0.02009013870000 -2.06250901790000 3.41648589440000 -1.62386570990000
0.21063419460000 -0.10125538330000 0.03350188150000 -0.06407178410000 0.08641953140000 -0.32767500390000 0.27585567250000 -1.98318757690000 4.02951713300000 -3.43257805340000 1.29422337750000
0.37241616140000 -0.17651908440000 0.06485843050000 -0.11165431180000 0.18964597340000 0.32811262060000 1.16862570550000 4.57184711560000 -4.21721468090000 2.73404458490000 -0.96096069660000
0.37244841140000 -0.12805593700000 0.03224806450000 -0.08825954320000 0.11800452360000 -1.59415999790000 -3.61772507200000 -5.11217054380000 3.21796749750000 -1.88093707480000 0.65852826340000
0.14843996200000 0.19238949250000 -0.06014279500000 0.17295463480000 -0.32587047220000 4.09475679790000 3.83570298490000 3.78370647370000 -2.00599862320000 1.14436503790000 -0.40712112070000
0.00982608170000 0.49129029060000 -0.23935699920000 0.47802710860000 -1.29274223140000 -4.73319648240000 -2.40299193680000 -2.09189474220000 1.05519220140000 -0.60589855740000 0.21928617700000
-0.00602748690000 0.39651326510000 -0.04590675250000 0.02752028040000 2.67226453870000 3.14422913190000 1.10844602170000 0.92278498580000 -0.46700996570000 0.27182172710000 -0.09963281830000
-0.00147329620000 0.09222099870000 0.14816792390000 -1.52129040720000 -2.14430627810000 -1.47279703140000 -0.43006038960000 -0.35185534230000 0.18061497930000 -0.10630753320000 0.03926362740000
0.00001925110000 0.00189466490000 0.89298337830000 1.17458989440000 0.87103420800000 0.48606906850000 0.13097293760000 0.10794221240000 -0.05594737800000 0.03311786150000 -0.01227135780000
* f-type functions
10 10
267.83532496
91.41297085
38.11144675
17.45050795
8.22655234
3.84017672
1.72324813
0.71677170
0.26038487
0.09459118
0.00213669700000 -0.00236828970000 0.00288606390000 -0.00337715310000 0.00316744850000 -0.00327073120000 0.00526160170000 -0.04218419240000 0.01424198610000 -1.28591727440000
0.01731019590000 -0.01928476720000 0.02338860130000 -0.02473199870000 0.02536445600000 -0.02777777750000 0.11012585540000 -0.07505849260000 -1.55645006180000 1.17531175970000
0.06924002350000 -0.07732337560000 0.09427626440000 -0.10948910460000 0.10504362830000 -0.11157132390000 0.26358174460000 -1.55243409400000 2.03633922450000 -0.91204334220000
0.17950484210000 -0.20085732250000 0.24774166000000 -0.26899721890000 0.28209431550000 -0.26950134470000 1.02023310900000 2.57907234870000 -1.66561420580000 0.63628961730000
0.30135317280000 -0.29418707230000 0.29358093240000 -0.27300816680000 0.10834537700000 -0.01494088820000 -2.40350561620000 -2.24622048830000 1.06023669110000 -0.39029548980000
0.34569404420000 -0.16303930940000 -0.16082453880000 0.76748892270000 -0.99716151900000 1.06079514570000 2.33741225770000 1.39256193880000 -0.56963050050000 0.20972334430000
0.29104611180000 0.25307022830000 -0.70013544080000 0.01195825510000 1.02559290590000 -1.73487558560000 -1.47367216650000 -0.68994431330000 0.26729908160000 -0.09883903470000
0.17735884890000 0.52417412250000 0.24789555370000 -0.80928837770000 -0.23961448240000 1.68759521380000 0.71337927340000 0.28570102250000 -0.11050108230000 0.04072409290000
0.05811982690000 0.28281114840000 0.55179904190000 0.52255297800000 -0.62778255220000 -1.34361564590000 -0.29524434560000 -0.10378388020000 0.04212231970000 -0.01530227480000
0.00131174560000 0.02309070240000 0.12366953880000 0.39891502430000 0.93845597160000 0.79605068400000 0.09310525330000 0.03091346300000 -0.01419527460000 0.00507864670000
* g-type functions
5 5
10.85067572
5.06864131
2.46175491
1.16532292
0.46008995
0.15943407660000 -0.39629626560000 0.58245738360000 -0.67149803880000 1.23408596750000
0.22782653270000 -0.37389466930000 0.17667368020000 0.37471758150000 -2.34539881840000
0.40895110430000 -0.19115769010000 -0.76960909210000 0.81189660110000 2.29195310300000
0.38348603950000 0.55625336570000 -0.01641061020000 -1.39935832960000 -1.36903786540000
0.16876473030000 0.33994055310000 0.69494711000000 0.95558138870000 0.49479889790000
* h-type functions
4 4
15.98171386
6.32217009
2.67206570
1.11586813
0.05369357740000 -0.19172898320000 0.33222579540000 -1.14857323410000
0.21233341230000 -0.59594774880000 0.67578965490000 1.19326834540000
0.53540978880000 -0.22270883800000 -1.22783024420000 -0.75177444360000
0.47101068400000 0.75857486970000 0.82903833910000 0.30023736500000
/Tm.ANO-R.Zobel.25s19p12d10f5g4h.17s14p11d10f5g4h.
J.P. Zobel, P.-O. Widmark, V. Veryazov. J. Chem. Theory Comput. 16 (2020) 278-294. doi:10.1021/acs.jctc.9b00873
THULIUM (25s,19p,12d,10f,5g,4h) -> [17s,14p,11d,10f,5g,4h]
69.0 5
* s-type functions
25 17
58862318.57200000
13676795.20400000
3649762.78130000
1091434.67470000
358407.73172000
127129.83027000
48070.51009000
19175.41843800
8003.85552750
3473.36869760
1558.98227280
720.47788731
341.36886576
165.06208054
81.00759868
40.07811736
19.81670000
9.68510002
4.61397052
2.10578026
0.90133015
0.35263500
0.12229944
0.03626544
0.01075379
0.00032374080000 -0.00014066010000 0.00007212140000 -0.00002153070000 0.00001115150000 -0.00000430480000 0.00000570930000 -0.00001698660000 0.00002194700000 -0.00001038320000 0.00002996060000 -0.00008189110000 0.00012141980000 -0.00025649320000 0.00004330890000 -0.02098334190000 0.00166579810000
0.00088708200000 -0.00038567960000 0.00019780520000 -0.00005905480000 0.00003058730000 -0.00001180850000 0.00001566250000 -0.00004660980000 0.00006011550000 -0.00002828540000 0.00008120980000 -0.00022753460000 0.00031656970000 -0.00071802430000 0.00252958770000 0.07686821540000 0.02904015460000
0.00197540470000 -0.00085996700000 0.00044121760000 -0.00013174610000 0.00006823250000 -0.00002633840000 0.00003492960000 -0.00010391030000 0.00013441300000 -0.00006383340000 0.00018484290000 -0.00049676340000 0.00076970350000 -0.00153263080000 -0.00190754810000 -0.19530594340000 -0.08337713000000
0.00403218650000 -0.00176021870000 0.00090407260000 -0.00027002090000 0.00013985660000 -0.00005399860000 0.00007163180000 -0.00021323090000 0.00027439380000 -0.00012813940000 0.00036530500000 -0.00105919660000 0.00134761070000 -0.00345679140000 0.01357485440000 0.50344111110000 0.12332481610000
0.00807919130000 -0.00354448910000 0.00182309790000 -0.00054481830000 0.00028211490000 -0.00010887840000 0.00014436300000 -0.00042924830000 0.00055769310000 -0.00026850930000 0.00078723510000 -0.00198932690000 0.00357799270000 -0.00592604210000 -0.00124165930000 -1.06242564760000 -0.26476454820000
0.01600055540000 -0.00707883360000 0.00365281930000 -0.00109240360000 0.00056580480000 -0.00021852850000 0.00029000150000 -0.00086410390000 0.00110376080000 -0.00050294510000 0.00140052560000 -0.00452658970000 0.00419467780000 -0.01609213510000 0.02318586040000 1.44515273080000 0.68679910090000
0.03186919770000 -0.01429313320000 0.00740369300000 -0.00221776340000 0.00114780720000 -0.00044276240000 0.00058676390000 -0.00174231410000 0.00229104650000 -0.00114301430000 0.00345408430000 -0.00739238540000 0.01879664380000 -0.01924650800000 0.05671147560000 -1.20850900560000 -2.12449227550000
0.06316330800000 -0.02896626560000 0.01513257060000 -0.00454102160000 0.00235184760000 -0.00090899790000 0.00120728750000 -0.00360553570000 0.00452669140000 -0.00194401230000 0.00509483090000 -0.02110583860000 0.00601696060000 -0.08948361900000 0.00229615600000 1.55537269110000 5.81204718580000
0.12173677520000 -0.05806291490000 0.03067152420000 -0.00924844650000 0.00478063670000 -0.00184235890000 0.00243934670000 -0.00722346080000 0.00973445840000 -0.00518881360000 0.01649411990000 -0.02507797060000 0.11353813990000 -0.04403357470000 0.56394643000000 -2.12843720530000 -6.99211179300000
0.21442581200000 -0.10994707510000 0.05959579500000 -0.01807954820000 0.00935816910000 -0.00362205560000 0.00481834900000 -0.01445889620000 0.01752950310000 -0.00658055430000 0.01457807920000 -0.10234526860000 -0.06413495510000 -0.51216684630000 -0.59512168590000 5.83863785320000 4.29937741150000
0.30623694240000 -0.17994391340000 0.10134432720000 -0.03125474580000 0.01609616670000 -0.00618896680000 0.00817791360000 -0.02405849530000 0.03441621630000 -0.02104449010000 0.07304564240000 -0.03888936590000 0.67219593920000 0.22635041480000 3.35934955540000 -1.205740067690e1 -1.53605488290000
0.27771971260000 -0.19718220880000 0.11874840800000 -0.03723566850000 0.01926710100000 -0.00750676540000 0.01005822640000 -0.03083148170000 0.03125704190000 -0.00216412110000 -0.02609965710000 -0.37880253960000 -1.05413616770000 -1.87214792970000 -1.049680809040e1 15.59720561550000 0.36186763180000
0.11077120110000 0.00336240850000 -0.01992978490000 0.00796644770000 -0.00424062940000 0.00181100660000 -0.00264966400000 0.01015567410000 0.00886546170000 -0.03633934600000 0.18607779470000 0.67895544830000 2.74792435360000 8.81883804300000 16.34840932440000 -1.497386294460e1 -0.12324447830000
0.03637178200000 0.43358746940000 -0.43853850350000 0.16991360510000 -0.08548001550000 0.03262708030000 -0.04294829900000 0.12442120730000 -0.21982227280000 0.18457428440000 -0.74335755860000 -0.34298326310000 -9.92369924860000 -1.537762289690e1 -1.709498077180e1 12.12032458040000 0.12379591620000
0.03331130160000 0.47125549240000 -0.68725729700000 0.30121896470000 -0.15363962650000 0.06044972450000 -0.08225761530000 0.26192184660000 -0.22568289210000 -0.06728122560000 0.64247367890000 4.41136776130000 18.63205835010000 16.36199346540000 14.06667605000000 -8.88284506160000 -0.12835921540000
0.00833663360000 0.14067634760000 0.19890922340000 -0.14097537240000 0.07456506070000 -0.03113656930000 0.04450639770000 -0.15971771680000 -0.06892679710000 0.42317818160000 -2.07519133220000 -1.295279454070e1 -2.152287782670e1 -1.308605919970e1 -9.96531672590000 6.07203955880000 0.10896171540000
0.00436666880000 0.08362074040000 1.00809535670000 -0.98879324160000 0.52041709730000 -0.20020223410000 0.27537759760000 -0.90034488160000 2.14892584970000 -2.05578583880000 7.95359254270000 17.73049061760000 17.94874902220000 8.75728707510000 6.36921152780000 -3.88303611510000 -0.07888890320000
0.00077077500000 0.02118320580000 0.25652689950000 -0.03644608300000 0.01294450620000 -0.01238066670000 0.01496847470000 0.06465638170000 -2.13769689080000 3.33108686260000 -1.441858600070e1 -1.529605547400e1 -1.190075438150e1 -5.17846240120000 -3.73240731910000 2.30023515730000 0.05005307480000
0.00028246340000 0.00068455620000 -0.09581623240000 1.05754673260000 -0.83341771140000 0.36303412410000 -0.60019551300000 2.58963940160000 -2.19266935020000 -2.43783711160000 15.71050323620000 9.72538367880000 6.65398114550000 2.76679733590000 2.00331317010000 -1.24698823720000 -0.02814075950000
-0.00005635000000 -0.00042048510000 -0.03080244230000 0.31767599250000 -0.37184140000000 0.14373995850000 -0.03237157630000 -2.28503395150000 6.43902059620000 0.16652723800000 -1.209504178880e1 -5.04681904250000 -3.26059488790000 -1.34350760020000 -0.97962725250000 0.61379803530000 0.01410994250000
0.00004183060000 0.00025738870000 0.00147791670000 0.01667362790000 0.88627683320000 -0.43824391890000 0.87043039180000 -1.22680520680000 -6.70772298810000 1.76466974970000 7.36466089140000 2.28435768660000 1.43707718580000 0.59458590690000 0.43598164720000 -0.27418576150000 -0.00635989360000
-0.00001494300000 -0.00003898430000 -0.00016811450000 0.01718648690000 0.46483087740000 -0.55481291480000 0.30868836100000 3.02807905170000 4.16594435710000 -2.73726553190000 -3.87824136090000 -0.93844240890000 -0.57989376060000 -0.24147358390000 -0.17770667940000 0.11197289100000 0.00260824530000
0.00000631710000 0.00003483060000 0.00026024610000 -0.00180986310000 0.04696291830000 0.52874299170000 -1.89565847010000 -1.94876445660000 -1.46858421360000 2.96715672000000 1.92500370920000 0.35890948660000 0.21728398760000 0.09112783730000 0.06723444450000 -0.04240641160000 -0.00098977850000
-0.00000207790000 -0.00000442120000 0.00003071280000 0.00082477090000 0.09492510610000 0.77416947640000 1.08711332020000 0.40945642010000 -0.07474436610000 -2.80763178290000 -1.01215371650000 -0.13259921170000 -0.07745406260000 -0.03288423570000 -0.02433677130000 0.01536121650000 0.00035899460000
0.00000065820000 0.00000305690000 0.00001694390000 -0.00022513660000 -0.00338286360000 -0.00009144490000 0.29930712350000 0.26439686380000 0.42226491720000 1.74726299570000 0.45276904380000 0.04009212370000 0.02211145190000 0.00959080660000 0.00713136200000 -0.00450523000000 -0.00010542200000
* p-type functions
19 14
2123123.31790000
341467.80762000
74017.73788500
20268.51289100
6645.74569600
2497.56092610
1038.64038630
464.79409274
218.95171907
106.70431878
53.04639130
26.57888006
13.27077162
6.52444148
3.11498661
1.41975895
0.60455009
0.23398556
0.09056196
0.00005767580000 -0.00003718440000 0.00001334290000 -0.00000514750000 0.00000422230000 -0.00000724580000 0.00001019790000 -0.00001319350000 0.00002108010000 -0.00005546030000 0.00009643190000 -0.00017205390000 0.00188482090000 -1.05551045620000
0.00022476480000 -0.00014517810000 0.00005213470000 -0.00002011340000 0.00001648790000 -0.00002831160000 0.00003999760000 -0.00005108430000 0.00007364080000 -0.00022807020000 0.00030045820000 -0.00079327380000 -0.00794738750000 0.90924710740000
0.00085683650000 -0.00055478390000 0.00019951150000 -0.00007696840000 0.00006318730000 -0.00010837020000 0.00015185990000 -0.00019959340000 0.00035538120000 -0.00078516830000 0.00180885900000 -0.00218435510000 0.01598326880000 -0.59000732010000
0.00301789120000 -0.00196259230000 0.00070687770000 -0.00027272390000 0.00022333580000 -0.00038390860000 0.00054609760000 -0.00068147300000 0.00079475880000 -0.00339324890000 0.00254908300000 -0.01447019360000 -0.06616984840000 0.39066658450000
0.01024707560000 -0.00671038480000 0.00242721050000 -0.00093645490000 0.00076991800000 -0.00131917020000 0.00183439720000 -0.00248114070000 0.00519190750000 -0.00864543170000 0.03048895300000 -0.01983588450000 -0.03161692910000 -0.28242854150000
0.03251574800000 -0.02158437230000 0.00784743650000 -0.00302800510000 0.00247700300000 -0.00426435060000 0.00612024130000 -0.00741886150000 0.00607431140000 -0.04264719500000 0.01128893070000 -0.23205073770000 -0.21748726500000 0.20737654650000
0.09196509710000 -0.06259400550000 0.02307029720000 -0.00890381040000 0.00733462320000 -0.01255942440000 0.01733370730000 -0.02421184850000 0.05863807790000 -0.07676984510000 0.38920356200000 -0.16052880530000 -2.08172930610000 -0.16346839560000
0.21074349080000 -0.14960301020000 0.05610479180000 -0.02166158730000 0.01770328360000 -0.03056501050000 0.04449232680000 -0.05183724890000 0.01616799820000 -0.36376878000000 -0.11175054190000 -1.98999752330000 5.41505814240000 0.14128802140000
0.34331296940000 -0.25658328580000 0.09905412310000 -0.03827828970000 0.03171772480000 -0.05420113680000 0.07309608440000 -0.11207660760000 0.36871634760000 -0.14393806110000 1.95893890840000 5.92316137740000 -6.94364611300000 -0.12237566390000
0.31462381240000 -0.19955579110000 0.06823603550000 -0.02619458960000 0.02086133860000 -0.03677669280000 0.06102625990000 -0.03192217920000 -0.47367026020000 -0.60477416150000 -6.41220425470000 -8.02465254180000 6.37129015790000 0.09942723500000
0.13845487550000 0.22027490670000 -0.16148802490000 0.06450956080000 -0.05256822200000 0.09459945310000 -0.16041867160000 0.10356620230000 0.91273214400000 4.66599695020000 9.37716988400000 7.44984003800000 -4.83588199270000 -0.07446454590000
0.06795902440000 0.60376667060000 -0.44958219970000 0.18286749760000 -0.16002128400000 0.28405959100000 -0.40302521470000 0.89851601680000 -4.05126765340000 -7.94016077000000 -8.86651134360000 -5.52322547280000 3.26235373490000 0.05135954110000
0.03119446320000 0.30621266400000 -0.06840121750000 0.01111453220000 0.00440788280000 -0.01639424330000 0.00824855290000 -0.86708168440000 8.07714634340000 7.50653132710000 6.33999470830000 3.52383201910000 -2.01570183900000 -0.03257973040000
0.00265567990000 0.00358243000000 0.64547427860000 -0.33726677450000 0.32281538270000 -0.71179148580000 1.67370777170000 -1.85883336290000 -9.12069118020000 -5.07719806240000 -3.75405022840000 -2.00898437350000 1.14754075030000 0.01892739200000
0.00056671270000 -0.01371127790000 0.48500073610000 -0.28654324400000 0.23128300460000 -0.11112633290000 -1.71092115710000 4.68482532340000 7.07189634150000 2.81308117370000 1.95050387910000 1.04063512730000 -0.59952129750000 -0.01001810510000
-0.00012207050000 -0.00322717840000 0.06118147550000 0.30936239020000 -0.63159724860000 1.44433065550000 -0.51004271680000 -5.13422352530000 -4.24553776500000 -1.36784067850000 -0.91641920430000 -0.49196397320000 0.28581261630000 0.00481166310000
0.00006703790000 0.00040572510000 0.00400565810000 0.67338036990000 -0.31042748220000 -0.64887513190000 2.29687774780000 3.78377660840000 2.12951991020000 0.59958175080000 0.39309667160000 0.21214668660000 -0.12391543280000 -0.00209416360000
-0.00002707090000 -0.00019593890000 -0.00001956940000 0.24482140720000 0.41645368390000 -1.04465989390000 -2.37087141170000 -2.14757931480000 -0.93583812800000 -0.24056147080000 -0.15505886270000 -0.08389908330000 0.04914163430000 0.00083197460000
0.00000831820000 0.00006023610000 0.00013713750000 0.00086072170000 0.70375152050000 1.14368678730000 1.15052343070000 0.79164720900000 0.30097030030000 0.07347474950000 0.04684837720000 0.02537057790000 -0.01487704470000 -0.00025204360000
* d-type functions
12 11
5296.05515640
1458.77659350
529.15303031
225.56984065
105.07603107
51.24479654
25.54026018
12.79268731
6.30865793
2.95593500
1.23698985
0.51765140
0.00046321880000 -0.00021444660000 0.00006815980000 -0.00013346200000 0.00018275570000 -0.00064750100000 0.00053392800000 -0.00341268340000 0.00137396830000 -0.04580783650000 0.08872700860000
0.00378143040000 -0.00176624470000 0.00060409050000 -0.00107634050000 0.00174428790000 -0.00044544430000 0.01183795800000 0.00036966350000 -0.07018410280000 0.11059203020000 -1.61928213950000
0.02082344180000 -0.00976467440000 0.00311735910000 -0.00606841200000 0.00836340430000 -0.02881473760000 0.02869304300000 -0.16273835900000 -0.00865801710000 -2.03560009340000 1.98140424990000
0.07880916960000 -0.03767433480000 0.01291725620000 -0.02298773680000 0.03729544360000 -0.01117204450000 0.27036042530000 -0.04734339310000 -2.11543256780000 3.27955492120000 -1.82250067660000
0.21038891160000 -0.10194793320000 0.03237119870000 -0.06376363830000 0.08628194640000 -0.33848127680000 0.27185835630000 -1.91780019680000 4.11866862400000 -3.27962193160000 1.49553308470000
0.37261636320000 -0.17811753530000 0.06303261520000 -0.10990308570000 0.19043765080000 0.21060825730000 1.13621476150000 4.52270644690000 -4.34163133680000 2.59627986870000 -1.12374210410000
0.37253378040000 -0.12854806330000 0.03048101680000 -0.09001883730000 0.12498826340000 -1.26934438790000 -3.67380939580000 -5.11877461940000 3.33691305330000 -1.77925091060000 0.77182812770000
0.14828560340000 0.19471854560000 -0.05821634440000 0.17763057370000 -0.34201348950000 3.74785649690000 4.11020293780000 3.82371227210000 -2.08874220660000 1.08046301770000 -0.47621165910000
0.00994145810000 0.49434700670000 -0.23157622730000 0.45927578970000 -1.27748077390000 -4.51011594450000 -2.75453573530000 -2.12821040050000 1.09951215000000 -0.57130954930000 0.25558599470000
-0.00581632910000 0.39425439540000 -0.03866863910000 0.05490016750000 2.65560273600000 3.03702914730000 1.35009620470000 0.94229055830000 -0.48589790910000 0.25591815690000 -0.11568957210000
-0.00137556490000 0.08844227180000 0.12260145690000 -1.54198674670000 -2.11881275820000 -1.42801664320000 -0.54478321270000 -0.35982298640000 0.18759051100000 -0.09996788470000 0.04546805450000
0.00002055280000 0.00137563980000 0.91136033860000 1.16766531960000 0.85416249480000 0.47183846770000 0.16897694090000 0.11049485890000 -0.05810460320000 0.03115219260000 -0.01420551990000
* f-type functions
10 10
278.63591048
95.09340963
39.65770501
18.16326948
8.56165929
3.99344207
1.78874019
0.74154397
0.26793332
0.09680918
0.00220326060000 -0.00230671170000 0.00290725160000 -0.00303989020000 0.00374847640000 -0.00292672880000 0.00382051870000 -0.04016546800000 0.00799304190000 -1.28605897870000
0.01785716650000 -0.01878127320000 0.02377664960000 -0.02238554460000 0.03159630980000 -0.03040738960000 0.09885188080000 -0.10315764570000 -1.54979204280000 1.18378557620000
0.07161500830000 -0.07555537040000 0.09545529300000 -0.09873193920000 0.12522407460000 -0.10259438330000 0.21400088490000 -1.52996587290000 2.05394052160000 -0.92587121160000
0.18523728240000 -0.19602614810000 0.25073867470000 -0.24195546790000 0.35444313030000 -0.32064000780000 1.07000228420000 2.51563923860000 -1.70306287750000 0.64923779820000
0.30903160190000 -0.28507011350000 0.28858426770000 -0.25061733760000 0.08092534350000 0.14406055690000 -2.46324264410000 -2.14638479880000 1.09720985640000 -0.39874697660000
0.35053528130000 -0.15150600750000 -0.16452338510000 0.63568632740000 -1.10201495720000 0.82963212010000 2.43939634680000 1.30950767780000 -0.59421201120000 0.21384133060000
0.28657431210000 0.26176794340000 -0.68260532830000 0.15520352160000 1.13587858050000 -1.53773635400000 -1.58593385090000 -0.64570169820000 0.27966705240000 -0.10036678040000
0.16120363990000 0.53581648990000 0.23382793410000 -0.87036856400000 -0.30469296230000 1.58205112590000 0.79993345490000 0.26946658030000 -0.11555427450000 0.04114553890000
0.04554579290000 0.27792103190000 0.57385149180000 0.50924784040000 -0.54244226770000 -1.34523339550000 -0.35475105210000 -0.10035898330000 0.04402606100000 -0.01538633190000
0.00105606930000 0.01922358770000 0.10692382670000 0.45283084580000 0.82319814950000 0.87874228820000 0.12660328110000 0.03148775980000 -0.01484844670000 0.00509627440000
* g-type functions
5 5
11.69708451
5.47171208
2.64550088
1.24089900
0.49280611
0.16742661370000 -0.38647760750000 0.56754088500000 -0.71019538530000 1.22008657620000
0.23807794460000 -0.37042036060000 0.18806395940000 0.41981210840000 -2.31688808350000
0.41787554860000 -0.17968587290000 -0.74965598040000 0.76693908410000 2.26775331470000
0.37245182740000 0.57084598330000 -0.04414193310000 -1.35838703160000 -1.37695659400000
0.15043573880000 0.33871016830000 0.71488298080000 0.93704223680000 0.51645310210000
* h-type functions
4 4
16.90164433
6.74581488
2.83306690
1.17819639
0.05405959050000 -0.19121854390000 0.32239241380000 -1.15742241640000
0.21420514380000 -0.58855290810000 0.68297430630000 1.19193439130000
0.53335890940000 -0.23211010970000 -1.22478370190000 -0.73371771380000
0.47376438620000 0.76267088500000 0.82105328030000 0.28849155090000
/Yb.ANO-R.Zobel.25s20p12d10f6g4h.17s14p10d10f6g4h.
J.P. Zobel, P.-O. Widmark, V. Veryazov. J. Chem. Theory Comput. 16 (2020) 278-294. doi:10.1021/acs.jctc.9b00873
YTTERBIUM (25s,20p,12d,10f,6g,4h) -> [17s,14p,10d,10f,6g,4h]
70.0 5
* s-type functions
25 17
58582440.75300000
13716803.21600000
3684508.27330000
1107831.97040000
365388.86407000
130049.08879000
49300.56485200
19702.51078000
8234.41850640
3576.51371240
1606.22271170
742.63834026
352.01177749
170.28531367
83.61635493
41.39501010
20.48164715
10.01613375
4.77338000
2.17822228
0.93142701
0.36359562
0.12559473
0.03700374
0.01090234
0.00034038710000 -0.00015609500000 0.00007425930000 -0.00002475560000 0.00001164320000 -0.00000350240000 0.00000618850000 -0.00001819680000 0.00001728530000 -0.00001777490000 0.00003131810000 -0.00007947630000 0.00013799670000 -0.00025808470000 0.00104486580000 -0.00378665050000 0.00744546860000
0.00092876910000 -0.00042620050000 0.00020282090000 -0.00006761680000 0.00003180270000 -0.00000956770000 0.00001690610000 -0.00004971940000 0.00004718260000 -0.00004841290000 0.00008460940000 -0.00022082020000 0.00036064410000 -0.00072108780000 -0.00075769230000 0.00629771210000 -0.00652849880000
0.00205510630000 -0.00094428050000 0.00044956510000 -0.00014989550000 0.00007049750000 -0.00002120480000 0.00003746650000 -0.00011015590000 0.00010470580000 -0.00010783360000 0.00019107190000 -0.00047569030000 0.00086243410000 -0.00151200770000 0.00716136800000 -0.01226924060000 -0.00979386940000
0.00416762390000 -0.00192020440000 0.00091532840000 -0.00030525620000 0.00014357490000 -0.00004320090000 0.00007634050000 -0.00022456370000 0.00021284510000 -0.00021775370000 0.00037627930000 -0.00102026080000 0.00152951120000 -0.00353657570000 -0.00653239990000 0.02532173060000 0.12513046190000
0.00829815490000 -0.00384216670000 0.00183461490000 -0.00061210970000 0.00028784710000 -0.00008655630000 0.00015292270000 -0.00044944140000 0.00042824240000 -0.00044345450000 0.00080172740000 -0.00186029760000 0.00391647530000 -0.00529858100000 0.03944466600000 -0.20514727080000 -0.61842444480000
0.01632712860000 -0.00762263410000 0.00365336650000 -0.00121965940000 0.00057367630000 -0.00017270220000 0.00030523650000 -0.00089858230000 0.00084825530000 -0.00085959320000 0.00143093270000 -0.00437336800000 0.00487914370000 -0.01733665890000 -0.04005835470000 0.54628638310000 1.47382888230000
0.03230719170000 -0.01528745860000 0.00736016370000 -0.00246036740000 0.00115661320000 -0.00034753790000 0.00061390390000 -0.00180235030000 0.00172902010000 -0.00181683560000 0.00345566520000 -0.00659099380000 0.01996617900000 -0.01514663730000 0.18741933400000 -1.11569138840000 -1.73542496140000
0.06360591760000 -0.03076406850000 0.01495583580000 -0.00500683000000 0.00235511810000 -0.00070977650000 0.00125490100000 -0.00370118210000 0.00346067610000 -0.00342914890000 0.00519490020000 -0.02074514820000 0.00888869630000 -0.09657362770000 -0.20431847710000 1.15783967950000 -0.92574609770000
0.12179377210000 -0.06121241640000 0.03014455860000 -0.01013084410000 0.00475877470000 -0.00142785080000 0.00252161590000 -0.00738700070000 0.00718804660000 -0.00777402810000 0.01617897340000 -0.01986550080000 0.11725591010000 -0.01309554770000 0.99566456620000 -0.77179856850000 1.70348413910000
0.21317687910000 -0.11498004300000 0.05829011920000 -0.01968811150000 0.00925980760000 -0.00279676160000 0.00494804110000 -0.01465200280000 0.01343654480000 -0.01269623980000 0.01509567170000 -0.10373934020000 -0.05176463620000 -0.56722278050000 -1.31771815250000 -3.34064046110000 0.67453818600000
0.30262012240000 -0.18635961450000 0.09864431940000 -0.03377290240000 0.01582882860000 -0.00473282580000 0.00835522510000 -0.02434761150000 0.02455460340000 -0.02836997040000 0.07007648880000 -0.00704020720000 0.67247602430000 0.45519659810000 4.24623403200000 10.19037510520000 -2.18168360150000
0.27308032690000 -0.20174627830000 0.11479796420000 -0.03985909590000 0.01876399880000 -0.00572593670000 0.01015860910000 -0.03062565700000 0.02548919100000 -0.01794986100000 -0.02166275320000 -0.41875036970000 -1.01501292310000 -2.41573679370000 -1.127355725000e1 -1.416108093840e1 1.87136157440000
0.11035315380000 0.00479195840000 -0.02259418720000 0.00960526340000 -0.00464341310000 0.00160130070000 -0.00292323570000 0.01049086780000 -0.00069679950000 -0.02035072550000 0.17136732660000 0.80652635020000 2.58468919200000 9.62535655950000 16.71403912690000 13.75922564450000 -1.08490856390000
0.04322254820000 0.43918339030000 -0.43399168790000 0.18241215880000 -0.08459719900000 0.02502024080000 -0.04427724540000 0.12763414480000 -0.14715779540000 0.20423722120000 -0.69605654990000 -0.87303750470000 -9.67768522400000 -1.633819625640e1 -1.703971882410e1 -1.108999048920e1 0.57154607230000
0.04019121350000 0.47571493070000 -0.67471740260000 0.31884883580000 -0.15039453010000 0.04656362360000 -0.08347672820000 0.26041400630000 -0.20192663020000 0.09367504040000 0.56598060230000 5.43112872960000 18.16221129220000 17.33931357510000 13.82306918060000 8.07496101720000 -0.33288577150000
0.01087015330000 0.13736421170000 0.20829398110000 -0.15598466870000 0.07712986030000 -0.02591025970000 0.04703555200000 -0.16073611850000 0.03237204820000 0.22682879670000 -2.04389254040000 -1.415078453310e1 -2.065009762100e1 -1.392429694090e1 -9.73156705000000 -5.49665190940000 0.21740549620000
0.00696816840000 0.07241834730000 0.98715326620000 -1.02124985570000 0.51223530790000 -0.15240100470000 0.28420062560000 -0.92202362210000 1.38538966470000 -2.12576009090000 8.07165486750000 18.73216545430000 16.89912871000000 9.36509675480000 6.21191813260000 3.50799094320000 -0.14335496840000
0.00139999430000 0.01796191190000 0.24944316210000 -0.02434118810000 -0.00091304090000 -0.00835982420000 -0.00016611220000 0.11807680920000 -1.16653046560000 2.70170284930000 -1.466564928240e1 -1.592472191750e1 -1.105761074280e1 -5.55722598970000 -3.64127014800000 -2.07510484600000 0.08819388610000
0.00017800670000 0.00165155720000 -0.07295845350000 1.06820451960000 -0.81452255120000 0.28377958090000 -0.60191373090000 2.53073762880000 -2.13155877580000 0.23463843710000 15.91196750360000 10.02686324890000 6.15013927400000 2.97255384230000 1.95340722650000 1.12266845260000 -0.04903685390000
-0.00010088540000 -0.00012275620000 -0.02413864960000 0.32299350510000 -0.37687049250000 0.10558051980000 -0.00532351490000 -2.24589045650000 4.93718310900000 -3.98744263840000 -1.210696309370e1 -5.15866506270000 -3.01325917080000 -1.44193896830000 -0.95327553590000 -0.55092512910000 0.02444713300000
0.00004381470000 0.00018837770000 0.00153514510000 -0.00006475400000 0.88926627940000 -0.33023185350000 0.82324541090000 -1.20867660440000 -4.44235424800000 5.46426200180000 7.18562258470000 2.31537771760000 1.33017431390000 0.63654117590000 0.42282385380000 0.24512306480000 -0.01096703540000
-0.00001803110000 -0.00007230270000 0.00004733230000 0.00751598160000 0.53468942570000 -0.55203099650000 0.35515532780000 2.92842522970000 1.94295305610000 -4.77620993120000 -3.58407270930000 -0.94309268250000 -0.53803466940000 -0.25770634790000 -0.17162974460000 -0.09965080950000 0.00447584150000
0.00000696840000 0.00003018630000 0.00017219900000 -0.00162261790000 0.00159890920000 0.54998311510000 -1.92150229220000 -1.82753150560000 0.33558939000000 3.43900882010000 1.59259465550000 0.35754676020000 0.20272348960000 0.09701438510000 0.06466866660000 0.03757157060000 -0.00169028370000
-0.00000251500000 -0.00001080990000 -0.00004619260000 0.00042749280000 0.02737567220000 0.78920860710000 1.11938322690000 0.31384278090000 -1.48375872780000 -2.44289975550000 -0.69345282180000 -0.13095793050000 -0.07351205970000 -0.03504615590000 -0.02335315480000 -0.01357033340000 0.00061083810000
0.00000074090000 0.00000321020000 0.00001509080000 -0.00015408100000 -0.00363735250000 -0.02194204000000 0.27961276280000 0.32699778730000 1.23697108050000 1.32834068640000 0.25489340550000 0.03934136950000 0.02175583290000 0.01030062780000 0.00685525950000 0.00398339350000 -0.00017931400000
* p-type functions
20 14
4178652.18150000
690348.74940000
149042.63654000
39956.57932200
12736.32075700
4653.53414770
1890.25675570
832.20642108
388.85882238
189.51074181
94.92624543
48.25314792
24.60491395
12.44473526
6.17044099
2.96038463
1.35362581
0.57931471
0.22704922
0.08898678
0.00003608250000 -0.00001811190000 0.00000841210000 -0.00000290310000 0.00000094640000 -0.00000454160000 0.00000593030000 -0.00000771350000 0.00000970360000 -0.00002864970000 0.00004799760000 -0.00010064230000 0.00012881310000 -0.00322323410000
0.00013363720000 -0.00006718100000 0.00003121030000 -0.00001077080000 0.00000351930000 -0.00001684280000 0.00002195780000 -0.00002887840000 0.00003916380000 -0.00010026030000 0.00020679310000 -0.00032630320000 -0.00159340670000 0.01175414910000
0.00048505180000 -0.00024447580000 0.00011364660000 -0.00003923210000 0.00001275790000 -0.00006141090000 0.00008035000000 -0.00010319670000 0.00011809340000 -0.00041473200000 0.00054436450000 -0.00162951900000 0.00275946400000 -0.04746514720000
0.00162037140000 -0.00081909060000 0.00038094430000 -0.00013148540000 0.00004312740000 -0.00020546680000 0.00026708250000 -0.00035867530000 0.00054921510000 -0.00109185540000 0.00318710350000 -0.00310727830000 -0.02421452110000 0.10626208610000
0.00528256550000 -0.00268835190000 0.00125220220000 -0.00043255850000 0.00013997470000 -0.00067791190000 0.00089083330000 -0.00111253610000 0.00099885960000 -0.00522955860000 0.00375213870000 -0.02447296700000 0.04495434900000 -0.41596463430000
0.01659149710000 -0.00851633020000 0.00397359310000 -0.00137238370000 0.00045252550000 -0.00214273070000 0.00277362570000 -0.00384339020000 0.00682990610000 -0.00949473680000 0.04434944780000 -0.02544072600000 -0.35502437940000 0.93899779370000
0.04874714890000 -0.02552694440000 0.01196144690000 -0.00413874360000 0.00133226780000 -0.00649697400000 0.00858353990000 -0.01038265710000 0.00633723250000 -0.05786897880000 0.01572730560000 -0.31772396770000 0.55404977120000 -3.78033364740000
0.12595681960000 -0.06801846320000 0.03208456650000 -0.01110871410000 0.00368450790000 -0.01733984790000 0.02235972740000 -0.03212909990000 0.06562236250000 -0.06306119630000 0.47265866690000 -0.16918728000000 -3.37108149540000 6.44727375620000
0.26009607850000 -0.14803318400000 0.07066149600000 -0.02456593230000 0.00783618420000 -0.03870402720000 0.05168101810000 -0.05923931140000 0.00499143440000 -0.42359826920000 -0.20483209100000 -1.82571081860000 7.59473225800000 -6.94307098350000
0.37192618650000 -0.22069060920000 0.10646913880000 -0.03702416070000 0.01257112300000 -0.05764621830000 0.07303804160000 -0.11958516890000 0.35159102790000 0.08003288990000 1.97103412540000 6.28305373510000 -9.82186650360000 5.89923747580000
0.28412351360000 -0.10600177410000 0.04093986160000 -0.01359062790000 0.00322831000000 -0.02232195900000 0.03496326400000 0.01491555680000 -0.51465968130000 -0.83065404520000 -6.78916732360000 -9.10512494760000 9.20047309610000 -4.42835022690000
0.07904038150000 0.32211644770000 -0.22728655940000 0.08562272580000 -0.02541530580000 0.14185541900000 -0.20619715700000 0.14428856120000 0.86384626240000 5.12957873480000 10.20336064960000 8.72328784600000 -7.03946420890000 3.08540801220000
0.00243056610000 0.58459360100000 -0.45046626830000 0.17113533790000 -0.06208923810000 0.28460043340000 -0.40328016580000 0.98512118460000 -3.82791937040000 -8.86731161530000 -9.72723049960000 -6.51214535580000 4.71178473040000 -2.01688396350000
-0.00125573170000 0.23613597720000 0.04840367670000 -0.04161284540000 0.02609658420000 -0.10419607280000 0.22769365140000 -1.46391217390000 8.05599255270000 8.48349385470000 6.95140059020000 4.12096861850000 -2.85811658460000 1.22991370370000
-0.00192488550000 0.00355248590000 0.67141850990000 -0.34113444440000 0.09695646370000 -0.73908952670000 1.46218799760000 -0.98286454640000 -9.54125679540000 -5.70902843780000 -4.09590839740000 -2.31541107460000 1.59295319560000 -0.69398390960000
-0.00107148950000 -0.00685541800000 0.42078974520000 -0.22907094930000 0.11020540730000 -0.00758139110000 -1.70250233370000 4.07640489570000 7.71524309050000 3.11260038080000 2.11406724270000 1.18327795820000 -0.81833184000000 0.36037165360000
-0.00014512500000 -0.00104964380000 0.04101385090000 0.34494966530000 -0.22268257770000 1.31663283370000 -0.49934674030000 -4.93842224500000 -4.81256142680000 -1.49143569530000 -0.99026141320000 -0.55605531190000 0.38739321180000 -0.17183091850000
-0.00006941840000 0.00073896890000 0.00001039300000 0.65247771960000 -0.10366948860000 -0.24205758700000 2.36112391790000 3.78858737560000 2.49516619340000 0.64966808350000 0.42690840090000 0.24087229890000 -0.16871429410000 0.07514108350000
-0.00001963040000 0.00012295200000 -0.00184064510000 0.22556391010000 -0.44654349840000 -1.31760739310000 -2.33113870870000 -2.13865432130000 -1.11336158560000 -0.25945249130000 -0.16959992140000 -0.09601696230000 0.06745693300000 -0.03010373170000
-0.00000061260000 0.00002355010000 0.00024834770000 -0.00038628620000 1.29235132880000 0.82869019630000 0.98440718800000 0.74275076900000 0.35111941860000 0.07815905090000 0.05102938020000 0.02894451180000 -0.02036329880000 0.00909470610000
* d-type functions
12 10
5522.52657830
1518.29690260
549.97932389
234.25561800
109.08993777
53.20747495
26.52606249
13.28960103
6.55324941
3.06862843
1.28237269
0.53590057
0.00046845150000 -0.00020635010000 0.00009055770000 -0.00012475390000 0.00015349580000 -0.00060046870000 0.00032028810000 -0.00371151020000 0.00036815140000 -0.16869763660000
0.00380719760000 -0.00169217350000 0.00077684090000 -0.00101665480000 0.00172352670000 0.00076024840000 0.01155758770000 0.00258808480000 -0.10273388780000 -0.98884533550000
0.02094659370000 -0.00935031800000 0.00411099780000 -0.00563528440000 0.00702628980000 -0.02620219200000 0.01781357980000 -0.17164673100000 -0.09374052300000 0.08971981390000
0.07935673000000 -0.03612924180000 0.01659908730000 -0.02168183640000 0.03676306800000 0.01607999590000 0.25906965610000 -0.01733898000000 -1.94627833910000 0.91684532750000
0.21220581470000 -0.09800322950000 0.04293422570000 -0.05924764240000 0.07072791570000 -0.31552537290000 0.17229319730000 -2.02432196160000 3.89730868770000 -1.25892555260000
0.37626423480000 -0.17130100180000 0.08084661360000 -0.10562428430000 0.20092421180000 0.34035615680000 1.43901597530000 4.51566087700000 -4.11604591120000 1.09782805750000
0.37491504580000 -0.12107846290000 0.04613951400000 -0.09136871200000 0.06725495730000 -1.67747928530000 -3.89023787060000 -4.89883448170000 3.15998258800000 -0.76924414200000
0.14417480530000 0.19871166930000 -0.08710031960000 0.16909043430000 -0.21196833240000 4.18739459640000 3.95838772550000 3.55735853930000 -1.97587470380000 0.46429790990000
0.00061903820000 0.49239746050000 -0.29835716820000 0.51480856620000 -1.38317665460000 -4.73947086980000 -2.40467910090000 -1.94953110110000 1.03839758190000 -0.24222816410000
-0.01323724340000 0.39395729530000 -0.09208207260000 -0.15180045220000 2.73171914700000 3.08152805070000 1.08068134610000 0.85356347610000 -0.45783108460000 0.10715083790000
-0.00313983950000 0.09089366870000 0.46189496750000 -1.32883259650000 -2.23971604760000 -1.42044280320000 -0.40804139330000 -0.32286210160000 0.17635110260000 -0.04149454820000
-0.00001081550000 0.00097955540000 0.64610049940000 1.25950373900000 0.96252980910000 0.46755771620000 0.12097182700000 0.09875245080000 -0.05457481680000 0.01288943740000
* f-type functions
10 10
290.06260986
98.98801131
41.29743225
18.92170464
8.92015723
4.15889366
1.86055302
0.76946381
0.27688805
0.09963690
0.00217343830000 -0.00252117570000 0.00287107780000 -0.00370111790000 0.00328535310000 -0.00251024270000 0.00368719150000 -0.03212820290000 0.19079116350000 -1.27214799470000
0.01763567640000 -0.02056225130000 0.02323554370000 -0.02799703370000 0.03207603140000 -0.03292356750000 0.06689471880000 0.03788855040000 1.35753303940000 1.40647716590000
0.07089428770000 -0.08291103430000 0.09451545380000 -0.12118796670000 0.11313327950000 -0.09465382850000 0.30207972140000 -1.70226148700000 -1.73424859370000 -1.21528665630000
0.18302010360000 -0.21442806440000 0.24830336210000 -0.31166284810000 0.37098139220000 -0.37452354870000 0.90538715800000 2.69395732050000 1.36079305440000 0.88293555870000
0.30396732390000 -0.30526550960000 0.28062373050000 -0.25556874610000 -0.08544264290000 0.35895856920000 -2.33472119430000 -2.32403902110000 -0.86099148970000 -0.54800083580000
0.34448078860000 -0.14466452360000 -0.20591823130000 0.86963524760000 -0.94719397880000 0.48254655280000 2.44551761150000 1.45538255160000 0.47201867340000 0.29492625810000
0.28814874710000 0.28335689970000 -0.63912244370000 -0.11973843260000 1.28212751740000 -1.23456790920000 -1.69215647280000 -0.74136909630000 -0.22756515180000 -0.13875648310000
0.17592124240000 0.50602417830000 0.23443194800000 -0.76786208250000 -0.65616357480000 1.43645203560000 0.92035358580000 0.32170723600000 0.09684130100000 0.05711726180000
0.05894045890000 0.26573015790000 0.57594661030000 0.58654937430000 -0.27416864500000 -1.35345114760000 -0.44539080840000 -0.12662668160000 -0.03815181960000 -0.02151785110000
0.00314405250000 0.02484960890000 0.12515658760000 0.28259519210000 0.78229840410000 0.96530709480000 0.17532410710000 0.04246492590000 0.01321866300000 0.00718146990000
* g-type functions
6 6
29.98435883
12.39046185
5.81260077
2.79555078
1.29999238
0.51526773
0.03422811660000 -0.08587836470000 0.13830340900000 -0.17573159410000 0.82072615170000 -1.09136298020000
0.13506320890000 -0.32151748010000 0.48009103180000 -0.50152472670000 -0.00065647470000 1.97992296330000
0.27323970010000 -0.44649251550000 0.19547678260000 0.37503068010000 -1.16110838750000 -2.25418652920000
0.39867426620000 -0.08305161890000 -0.82795353520000 0.69004596740000 1.50960846950000 1.75811382180000
0.37621648030000 0.53166411250000 0.08522935600000 -1.33168409430000 -1.03595295350000 -0.94417594560000
0.14866988700000 0.32955286950000 0.65137573600000 0.97569221730000 0.41794280640000 0.32351819260000
* h-type functions
4 4
17.95929160
7.21908739
3.02193272
1.24388320
0.05375712570000 -0.20296777800000 0.38729224550000 -1.14041675520000
0.23280818320000 -0.61708556410000 0.56994179910000 1.23352923880000
0.55804273320000 -0.13964406720000 -1.16432047530000 -0.80644943960000
0.43315345130000 0.73248745290000 0.83770341410000 0.33864059960000
/Lu.ANO-R.Zobel.25s20p15d10f5g4h.16s13p13d10f5g4h.
J.P. Zobel, P.-O. Widmark, V. Veryazov. J. Chem. Theory Comput. 16 (2020) 278-294. doi:10.1021/acs.jctc.9b00873
LUTETIUM (25s,20p,15d,10f,5g,4h) -> [16s,13p,13d,10f,5g,4h]
71.0 5
* s-type functions
25 16
59266668.40000000
14009824.59700000
3787474.69880000
1143770.65890000
378404.04963000
134996.23065000
51275.77390600
20527.94571300
8593.50289110
3738.12364470
1681.00922740
778.01763198
369.03187445
178.57367281
87.68684287
43.40562561
21.47929399
10.51352383
5.02267075
2.30347865
0.99377884
0.39356972
0.13896814
0.04227257
0.01285885
0.00032490540000 -0.00021865360000 0.00007433100000 -0.00003635620000 0.00001237040000 -0.00000387620000 0.00000835510000 -0.00001876740000 0.00001922080000 -0.00001941630000 0.00003363670000 -0.00005976230000 0.00011714750000 -0.00034756540000 0.00031069380000 -0.00493971400000
0.00088309590000 -0.00059462610000 0.00020225290000 -0.00009892410000 0.00003366040000 -0.00001054850000 0.00002274050000 -0.00005108080000 0.00005225970000 -0.00005264030000 0.00009065740000 -0.00017044040000 0.00028449490000 -0.00063937950000 0.00067867850000 0.02485084900000
0.00194388190000 -0.00131027540000 0.00044606640000 -0.00021818040000 0.00007423760000 -0.00002326040000 0.00005013210000 -0.00011260870000 0.00011540990000 -0.00011681050000 0.00020318550000 -0.00034675330000 0.00073302820000 -0.00204246800000 0.01906025330000 -0.06602608270000
0.00391894840000 -0.00264744710000 0.00090325090000 -0.00044179950000 0.00015034160000 -0.00004712130000 0.00010160730000 -0.00022823790000 0.00023319880000 -0.00023400630000 0.00039976690000 -0.00080876220000 0.00115677660000 -0.00298227720000 -0.03295903840000 0.03081540000000
0.00775465790000 -0.00525965980000 0.00180055130000 -0.00088074290000 0.00029969220000 -0.00009387580000 0.00020225350000 -0.00045432030000 0.00046682760000 -0.00047584010000 0.00083978080000 -0.00122693040000 0.00338661620000 -0.00838113740000 0.05199418720000 0.38456284950000
0.01514735380000 -0.01034307350000 0.00356389930000 -0.00174326630000 0.00059337840000 -0.00018607090000 0.00040150230000 -0.00090194560000 0.00091756540000 -0.00090941910000 0.00151258310000 -0.00378293430000 0.00307543610000 -0.01320798210000 0.13472041840000 -1.31039239440000
0.02972976860000 -0.02052428840000 0.00713586380000 -0.00349132240000 0.00118816010000 -0.00037192330000 0.00080054630000 -0.00179828750000 0.00186124470000 -0.00193348030000 0.00354126240000 -0.00302568060000 0.01825688340000 -0.02806634540000 -0.35300342620000 3.06163068750000
0.05800391210000 -0.04076170670000 0.01441127320000 -0.00705055550000 0.00240147930000 -0.00075385970000 0.00162920830000 -0.00366080590000 0.00368589720000 -0.00354635920000 0.00551010350000 -0.02075873820000 -0.00187281180000 -0.06716930300000 0.48458848050000 -6.26230039030000
0.10998312260000 -0.07975477250000 0.02890268070000 -0.01415429760000 0.00481947870000 -0.00150658850000 0.00323700100000 -0.00727129010000 0.00764202570000 -0.00824141220000 0.01614144670000 0.00279951030000 0.11411040600000 -0.09978244350000 1.54372420530000 8.21710216390000
0.19047400790000 -0.14638622820000 0.05573274580000 -0.02730933990000 0.00931956430000 -0.00293185480000 0.00635629720000 -0.01429296530000 0.01408846110000 -0.01270959560000 0.01660044560000 -0.12305886820000 -0.11578463080000 -0.37080576620000 -2.13017585410000 -9.61686680130000
0.26704262840000 -0.22967573770000 0.09448352660000 -0.04653960580000 0.01588371860000 -0.00494939150000 0.01058938480000 -0.02378931190000 0.02597648820000 -0.03047212560000 0.06784104420000 0.13107499300000 0.72462056770000 -0.21804212820000 2.32899180340000 13.07825346760000
0.23854071250000 -0.24103517740000 0.11096885750000 -0.05496781650000 0.01889655330000 -0.00600399990000 0.01320115270000 -0.02976814720000 0.02640539090000 -0.01551738830000 -0.01270019850000 -0.65580754850000 -1.30012927120000 -1.13914603110000 -6.01779895870000 -1.696726321730e1
0.11121503800000 -0.01996684360000 -0.01924271070000 0.01085017650000 -0.00404451760000 0.00147242720000 -0.00381507890000 0.00884415140000 0.00141412860000 -0.02978903590000 0.15199726960000 1.45017241880000 3.91216312010000 7.71081171440000 10.13105914490000 18.20497756730000
0.10705603270000 0.40656352890000 -0.41287070560000 0.23580584890000 -0.08382792620000 0.02588409580000 -0.05489089720000 0.12414562040000 -0.15601868650000 0.22899867840000 -0.64994697540000 -2.93433944140000 -1.186060546440e1 -1.327509534610e1 -1.109496604160e1 -1.622235499740e1
0.10796271890000 0.44758696160000 -0.64535916190000 0.41031366190000 -0.15218637010000 0.04910623940000 -0.11082475330000 0.25377620190000 -0.20804949900000 0.05762647620000 0.43459662680000 9.00617673210000 19.41947237830000 13.26547579040000 9.29514421120000 12.53063449510000
0.03782745610000 0.14252993690000 0.16352671760000 -0.16916624240000 0.07182071770000 -0.02528035490000 0.06239527980000 -0.14247978190000 0.00994623530000 0.33694391820000 -1.78122654730000 -1.804060378570e1 -1.972086954390e1 -9.94961336230000 -6.61572482390000 -8.73043172930000
0.03551235010000 0.09601470270000 0.84021904780000 -1.14775473240000 0.51472334690000 -0.16050442110000 0.36837896770000 -0.92233511900000 1.49139792940000 -2.46575036950000 7.74458275680000 21.94912843000000 14.56411958300000 6.38762543290000 4.23632729800000 5.60730108140000
0.00935651790000 0.02577725770000 0.25035300900000 -0.08059965290000 0.01077576890000 -0.01204824710000 0.00635077670000 0.12406126930000 -1.22438886000000 3.37202391960000 -1.449822065490e1 -1.825376538800e1 -8.82697711880000 -3.72089457000000 -2.49314636090000 -3.32943372150000
0.00137438510000 0.00339803330000 0.07229908280000 1.07224947390000 -0.81562501520000 0.29628906100000 -0.88315085670000 2.48637235280000 -2.33413131750000 -0.62059838380000 16.10897906920000 11.57547727040000 4.72176473380000 1.99468560960000 1.34890148660000 1.81483157350000
0.00013985800000 0.00047234690000 0.02094125280000 0.33708045210000 -0.40091364040000 0.12208412680000 0.27880222510000 -2.21507521520000 5.38465338260000 -3.30776684620000 -1.261267843290e1 -6.08947366460000 -2.29532746510000 -0.98089692950000 -0.66708484620000 -0.90168582030000
0.00007290200000 0.00015500800000 -0.00012850630000 -0.00460611540000 0.89760854560000 -0.34900845700000 0.84915625960000 -1.22174044760000 -4.87845251230000 5.21522555930000 7.76071294280000 2.81326499200000 1.02220708510000 0.44115478480000 0.30090241850000 0.40774612340000
-0.00003178310000 -0.00006753380000 0.00011718670000 0.00471718340000 0.54228142860000 -0.59549305100000 0.14639829960000 3.01937163130000 2.14655731080000 -4.90273870660000 -4.04839542220000 -1.18042515490000 -0.41949682850000 -0.18216233960000 -0.12441784880000 -0.16880210140000
0.00001261660000 0.00002736560000 -0.00002869170000 -0.00153824520000 -0.00044401850000 0.59735432760000 -1.76564989360000 -1.95839895860000 0.34331470900000 3.71588341430000 1.90402840490000 0.45940795530000 0.16028583550000 0.06982140150000 0.04771482550000 0.06477096940000
-0.00000469830000 -0.00001024100000 0.00000657400000 0.00049685710000 0.02863943670000 0.78152955820000 1.04003963180000 0.30774750500000 -1.50933205820000 -2.66535383800000 -0.88747036820000 -0.17146724390000 -0.05843465680000 -0.02548949720000 -0.01742281620000 -0.02365573790000
0.00000137400000 0.00000299760000 -0.00000220950000 -0.00015556790000 -0.00392424040000 -0.03700287530000 0.32799072620000 0.42556305350000 1.19510653280000 1.40563298590000 0.34431797810000 0.05177643660000 0.01706327420000 0.00744788840000 0.00509132340000 0.00691325790000
* p-type functions
20 13
4496865.99780000
740129.14661000
159573.88497000
42761.56049200
13623.92904200
4972.57402710
2016.18638760
885.46804437
412.59711369
200.54836415
100.25470523
50.91843895
25.98214682
13.17397031
6.55984823
3.16516287
1.45654226
0.62704492
0.24665233
0.09702235
0.00003446900000 -0.00002126260000 0.00000867000000 -0.00000303950000 0.00000106610000 -0.00000479290000 0.00000603500000 -0.00000787620000 0.00000954800000 -0.00002373730000 0.00002749630000 -0.00010348950000 0.00353981150000
0.00012789560000 -0.00007900180000 0.00003223040000 -0.00001129900000 0.00000396910000 -0.00001781250000 0.00002239350000 -0.00002956340000 0.00003889380000 -0.00007782140000 0.00016489830000 -0.00037495920000 -0.01363799560000
0.00046057310000 -0.00028514880000 0.00011645150000 -0.00004083380000 0.00001429980000 -0.00006441810000 0.00008127440000 -0.00010468810000 0.00011430310000 -0.00036298320000 0.00019426900000 -0.00150167690000 0.04984723470000
0.00152350800000 -0.00094574760000 0.00038662520000 -0.00013555410000 0.00004773890000 -0.00021361050000 0.00026776260000 -0.00036131140000 0.00054284420000 -0.00070149330000 0.00287120570000 -0.00409297530000 -0.10470945300000
0.00491426420000 -0.00306858490000 0.00125763470000 -0.00044119810000 0.00015401030000 -0.00069666670000 0.00088287320000 -0.00110392760000 0.00090865460000 -0.00493598550000 -0.00162313550000 -0.02012296340000 0.34385705020000
0.01531272380000 -0.00963522910000 0.00396144650000 -0.00138957250000 0.00049113810000 -0.00218882790000 0.00273196340000 -0.00381148970000 0.00674327880000 -0.00366669510000 0.04250329570000 -0.03992292440000 -0.47269286470000
0.04482480870000 -0.02869978290000 0.01188525790000 -0.00417446070000 0.00145229440000 -0.00660100460000 0.00841213400000 -0.01016498550000 0.00513228940000 -0.05779375850000 -0.05233537140000 -0.24986370290000 2.03730760690000
0.11609267140000 -0.07638780670000 0.03199778010000 -0.01124470710000 0.00399057420000 -0.01772017350000 0.02203306830000 -0.03192779640000 0.06544712590000 0.00033140190000 0.47334149700000 -0.39273627240000 -1.37941668740000
0.24151528740000 -0.16651803740000 0.07111405300000 -0.02506690460000 0.00867336830000 -0.03977151130000 0.05123466550000 -0.05853994620000 -0.00356732580000 -0.46832920030000 -0.66378200030000 -1.60746558170000 -1.64444651710000
0.35036683370000 -0.25141201420000 0.10928480910000 -0.03854583390000 0.01389211600000 -0.06073525810000 0.07422840890000 -0.12263935400000 0.36446248430000 0.32081407560000 3.43206596880000 5.54767708610000 3.94548542270000
0.27940812140000 -0.13932734300000 0.04664090750000 -0.01586869320000 0.00467919150000 -0.02565067510000 0.03802176550000 0.01466911660000 -0.55068032130000 -1.62874619600000 -8.62863464010000 -7.28876817220000 -4.27070337740000
0.11016139380000 0.29645332930000 -0.22503658710000 0.08538553890000 -0.02832090880000 0.14280494620000 -0.20089971320000 0.12972676050000 1.00994252980000 6.31737544010000 11.38595446320000 6.33940165730000 3.38530150210000
0.05325022960000 0.57540067710000 -0.46266492180000 0.17796693940000 -0.06758519610000 0.30392692280000 -0.41463236560000 1.01893468270000 -4.12395600800000 -9.97255870670000 -1.005937551750e1 -4.43604439350000 -2.26812335470000
0.02115269450000 0.24673329910000 0.02211781660000 -0.03311823250000 0.02152829160000 -0.09987760640000 0.21056971890000 -1.46446462980000 8.44079682300000 9.24473123720000 6.88622635250000 2.72866472490000 1.36862279710000
0.00217974790000 0.01794054100000 0.66049937420000 -0.34497803790000 0.11375133370000 -0.77619552700000 1.51272007460000 -1.06036254510000 -9.91799335360000 -6.13203798750000 -3.98534434480000 -1.52682844290000 -0.76091221230000
0.00061410360000 0.00098880980000 0.43597996010000 -0.24877676540000 0.11611113260000 -0.01782966900000 -1.75952281840000 4.21070910020000 7.99977767360000 3.30965496110000 2.04809986240000 0.78443709200000 0.39070390030000
-0.00000069050000 -0.00062604710000 0.04871119460000 0.33503862410000 -0.21258146910000 1.39381322870000 -0.45524885100000 -5.07056993050000 -4.97539870900000 -1.56887909600000 -0.95803767540000 -0.37024466240000 -0.18462174890000
0.00002581490000 0.00023383260000 0.00255424020000 0.66323684060000 -0.20122018200000 -0.34475596990000 2.36224410580000 3.88054377960000 2.56685133020000 0.67474922380000 0.41147999530000 0.16026483550000 0.08001250340000
-0.00000982470000 -0.00009501000000 -0.00066641510000 0.22662050370000 -0.31320250160000 -1.25830855120000 -2.39071293840000 -2.19899559430000 -1.14170345460000 -0.26622495250000 -0.16260778810000 -0.06364472380000 -0.03179824870000
0.00000301430000 0.00003005430000 0.00018737670000 0.00070542030000 1.22707113380000 0.84976711760000 1.04771096970000 0.77592628620000 0.36152484470000 0.07972275740000 0.04878057110000 0.01914001480000 0.00956603410000
* d-type functions
15 13
6375.78989800
1802.38744960
644.23527679
269.95104112
125.20567854
61.58224410
31.11430502
15.75978893
7.84005354
3.75392653
1.68982819
0.69374830
0.24936936
0.07429476
0.02213468
0.00037267260000 -0.00018294800000 0.00003759280000 -0.00007713350000 0.00010127200000 -0.00010043100000 0.00004822920000 -0.00013322940000 0.00061670150000 -0.00016305810000 0.00339660820000 -0.00047743810000 0.05034099000000
0.00289686010000 -0.00142922000000 0.00029065360000 -0.00059053300000 0.00081756900000 -0.00091578730000 0.00050553220000 -0.00098899610000 0.00114060690000 0.01183061430000 -0.00048468680000 -0.06660663230000 -0.19152271180000
0.01679061290000 -0.00833746940000 0.00171461280000 -0.00351442570000 0.00461793520000 -0.00461324520000 0.00224422920000 -0.00605639880000 0.02714945850000 -0.00067642620000 0.15471829460000 -0.14484543810000 2.07721472850000
0.06647015320000 -0.03347861770000 0.00682976350000 -0.01386534440000 0.01913886130000 -0.02138753990000 0.01178318630000 -0.02324379030000 0.03171771480000 0.27963038400000 0.10713405530000 -1.89651331360000 -3.43305763830000
0.18372971800000 -0.09424209490000 0.01949266130000 -0.03998726850000 0.05224243710000 -0.05156033570000 0.02473493140000 -0.06955633710000 0.34043334800000 -0.06983620020000 1.98989389100000 3.98890609250000 3.67339382740000
0.34085033390000 -0.17318871700000 0.03529755570000 -0.07192471960000 0.10250741800000 -0.11826299440000 0.06679744210000 -0.11580340230000 -0.03631445190000 1.95509129860000 -4.52593569960000 -4.40012222620000 -3.10860747060000
0.38319346150000 -0.16226779290000 0.03310654610000 -0.07137287870000 0.09960316760000 -0.10154202650000 0.04358067770000 -0.20318990260000 1.02611921260000 -4.76584094860000 4.88494166610000 3.47379099050000 2.22013124640000
0.19400581680000 0.11753860620000 -0.03467675450000 0.07404691060000 -0.08441573180000 0.08684240910000 -0.03644655350000 0.34341814000000 -3.65357478630000 5.29841130170000 -3.54640091860000 -2.21178608390000 -1.37972907150000
0.03197844210000 0.45854152030000 -0.11058465690000 0.24765503910000 -0.56579840540000 0.95750121520000 -0.61592624760000 1.11796013770000 4.66099551160000 -3.85128611320000 2.01268239910000 1.20862262730000 0.75847587340000
0.00306513140000 0.43701666410000 -0.10776528270000 0.24665626520000 0.04315412200000 -1.24078050470000 1.11334574150000 -2.71056054890000 -3.45653009070000 2.17246077410000 -0.97281374730000 -0.58469794560000 -0.37171887870000
0.00053769930000 0.14119377310000 0.11490943920000 -0.50285829330000 1.20779480500000 0.04483672900000 -0.85391216780000 2.83842183770000 1.87894383880000 -1.02378020870000 0.41889084550000 0.25372276970000 0.16298315860000
0.00011120540000 0.00835472520000 0.31729537350000 -0.63907973900000 -0.87942901670000 1.05823599570000 0.30863816300000 -2.06344477310000 -0.84897059570000 0.41981918900000 -0.16318833630000 -0.09927824550000 -0.06413831540000
-0.00001482890000 0.00074907760000 0.47214538090000 0.35007873300000 -0.33388634560000 -1.30026387140000 0.16076398760000 1.27282810830000 0.33827540740000 -0.15631667870000 0.05788888600000 0.03526270920000 0.02283106260000
0.00000606060000 -0.00019769240000 0.39805797980000 0.48026015440000 0.64013415530000 0.74780387190000 -0.72328710050000 -0.78597586690000 -0.13349766400000 0.05739131030000 -0.01964587670000 -0.01194265590000 -0.00773237080000
-0.00000197090000 0.00006615560000 0.01165288340000 -0.00338632000000 -0.04725554010000 0.09609795880000 1.15228357320000 0.46798926580000 0.05502202920000 -0.02140809990000 0.00627686850000 0.00379557070000 0.00245334090000
* f-type functions
10 10
328.99917407
112.44815722
47.18476594
21.80240951
10.39627906
4.92584354
2.25577767
0.96476014
0.36369625
0.13710658
0.00181594260000 -0.00221841600000 0.00212599880000 -0.00265829460000 0.00307310500000 -0.00270192160000 0.00424377070000 -0.03981471310000 0.07034715660000 -1.28807059410000
0.01511444960000 -0.01865424810000 0.01809664480000 -0.02117595780000 0.02460676940000 -0.03526154850000 -0.09513887320000 -0.18610927020000 -1.61592665250000 1.12956000170000
0.06242313610000 -0.07693164040000 0.07371481810000 -0.09143563790000 0.10721430350000 -0.10488112620000 0.07109035770000 -1.48689923930000 2.22856972360000 -0.86056889860000
0.16693385390000 -0.20803873320000 0.20845648760000 -0.25082853420000 0.29948126670000 -0.45442738080000 -1.55161743510000 2.30780994480000 -1.92367821780000 0.60239814770000
0.29168913310000 -0.31672583390000 0.26422566610000 -0.28771499370000 0.20627667870000 0.20913297480000 2.93824030810000 -1.78116973150000 1.26844890680000 -0.37619665500000
0.34441928540000 -0.17399268540000 -0.11594744690000 0.54132652230000 -1.08946944470000 1.02588112140000 -2.84207157690000 0.97932946140000 -0.69691896640000 0.20742856910000
0.29819749770000 0.26614387630000 -0.61627768820000 0.34388424460000 0.81462151950000 -1.86120147870000 1.89564685480000 -0.44295563500000 0.33253470160000 -0.10057673220000
0.18478134840000 0.51928721030000 0.14437187950000 -0.78195984880000 0.25142349980000 1.80191736610000 -1.00214534790000 0.17265952590000 -0.13904750160000 0.04258006400000
0.06015179250000 0.24792032170000 0.51472101810000 0.08200253360000 -1.02291906750000 -1.32630200740000 0.46922762850000 -0.06168638900000 0.05316222820000 -0.01636640200000
0.00227433160000 0.02672390880000 0.33540903940000 0.68662865640000 0.87755845020000 0.65618646820000 -0.17652670860000 0.01977980980000 -0.01767492010000 0.00544934350000
* g-type functions
5 5
11.72261007
5.30690768
2.43791688
1.05169714
0.33384135
0.20757002110000 -0.47509521050000 0.67071079140000 -0.54682128590000 1.08936459550000
0.29883360420000 -0.38020509850000 -0.10332596320000 0.44478586500000 -1.99501340600000
0.46856415710000 0.09640719010000 -0.77058767380000 0.36541565390000 1.85043374040000
0.30582275710000 0.61672764800000 0.45877964230000 -0.92760979180000 -1.03564814280000
0.06166967500000 0.16094355620000 0.50451205410000 0.95833209900000 0.35158080240000
* h-type functions
4 4
18.94950204
7.62153905
3.16414408
1.28333478
0.05426124780000 -0.20446648700000 0.29582093970000 -1.16601515530000
0.23870621490000 -0.61824674220000 0.65276200310000 1.17511598920000
0.56820202220000 -0.12000359780000 -1.20125656770000 -0.69623487570000
0.42097906800000 0.72780900960000 0.85531494740000 0.26273436640000
/Hf.ANO-R.Zobel.25s20p15d10f4g3h.17s14p14d10f4g3h.
J.P. Zobel, P.-O. Widmark, V. Veryazov. J. Chem. Theory Comput. 16 (2020) 278-294. doi:10.1021/acs.jctc.9b00873
HAFNIUM (25s,20p,15d,10f,4g,3h) -> [17s,14p,14d,10f,4g,3h]
72.0 5
* s-type functions
25 17
59109346.55800000
14097156.21100000
3840847.45690000
1167714.44200000
388538.70329000
139271.61454000
53103.44517900
21323.67658700
8946.74236860
3897.98030360
1754.72486740
812.64031792
385.58941298
186.63259735
91.67551829
45.40980728
22.49835356
11.03489008
5.28857368
2.43676675
1.05815489
0.42275903
0.15099923
0.04661167
0.01438847
0.00038131720000 -0.00015810810000 0.00008146960000 -0.00004013790000 0.00001341950000 -0.00000400950000 0.00000290010000 -0.00001052380000 0.00002295320000 -0.00002557100000 0.00003661180000 -0.00007464370000 0.00008754800000 -0.00036047400000 0.00139418900000 -0.00362225650000 0.04615968270000
0.00103202300000 -0.00042822720000 0.00022072160000 -0.00010874580000 0.00003635900000 -0.00001086440000 0.00000785640000 -0.00002851520000 0.00006219100000 -0.00006924150000 0.00009817840000 -0.00020771580000 0.00021808030000 -0.00096425990000 -0.00559160860000 0.01136454250000 -0.16754677100000
0.00225577110000 -0.00093732330000 0.00048332560000 -0.00023813990000 0.00007961940000 -0.00002378720000 0.00001720880000 -0.00006243670000 0.00013618590000 -0.00015177390000 0.00021875490000 -0.00043483610000 0.00055296830000 -0.00219981340000 0.01456554940000 -0.08468686920000 0.28074748400000
0.00451503340000 -0.00188162530000 0.00097136560000 -0.00047864660000 0.00016005330000 -0.00004783200000 0.00003457720000 -0.00012553990000 0.00027378500000 -0.00030461940000 0.00042626530000 -0.00094665990000 0.00082090550000 -0.00426664650000 -0.05159690250000 0.32690548350000 -0.38252257420000
0.00887261620000 -0.00371719900000 0.00192195900000 -0.00094724550000 0.00031671880000 -0.00009460190000 0.00006848420000 -0.00024833660000 0.00054176390000 -0.00060464430000 0.00089239990000 -0.00161383270000 0.00268892720000 -0.00852793270000 0.11916890400000 -0.69527602790000 0.77886805430000
0.01721110050000 -0.00727434040000 0.00377408700000 -0.00186055230000 0.00062236920000 -0.00018607440000 0.00013436900000 -0.00048833150000 0.00106482190000 -0.00118195910000 0.00158369660000 -0.00408173810000 0.00152452750000 -0.01782269550000 -0.21949860460000 1.66139037220000 -1.40774604670000
0.03356554120000 -0.01439059980000 0.00749674580000 -0.00369794480000 0.00123665330000 -0.00036915840000 0.00026770500000 -0.00096940510000 0.00211575800000 -0.00237149430000 0.00372209790000 -0.00506939280000 0.01575321060000 -0.03615254320000 0.09379574010000 -3.75337606390000 3.52016997200000
0.06513874590000 -0.02857055820000 0.01501537980000 -0.00741128840000 0.00248136980000 -0.00074258620000 0.00053497100000 -0.00194832850000 0.00424729000000 -0.00468631560000 0.00562964010000 -0.01997782270000 -0.00972845510000 -0.07454340970000 0.28080888690000 8.08209285180000 -4.62876079870000
0.12319653870000 -0.05621452450000 0.02987923280000 -0.01477571140000 0.00494451090000 -0.00147426990000 0.00107285800000 -0.00387492040000 0.00846473420000 -0.00957976520000 0.01685463330000 -0.01016179480000 0.10575552150000 -0.14867338210000 -1.39045283070000 -1.223947429610e1 1.28678518700000
0.21404381780000 -0.10484152470000 0.05717187650000 -0.02833945350000 0.00951230720000 -0.00285225850000 0.00204530710000 -0.00747958650000 0.01630094770000 -0.01775739380000 0.01626865130000 -0.10557206340000 -0.15748489630000 -0.35536104510000 2.16771160230000 13.97504473720000 3.06559232180000
0.30481626600000 -0.17024581830000 0.09632301600000 -0.04810992860000 0.01614555320000 -0.00480055470000 0.00352385410000 -0.01265023800000 0.02769896130000 -0.03212806620000 0.07112105450000 0.04844873820000 0.69387519650000 -0.34113352220000 -5.55766179360000 -1.323574713520e1 -4.34676547700000
0.28152553010000 -0.18741410590000 0.11294747480000 -0.05690467550000 0.01927969800000 -0.00583251690000 0.00409094820000 -0.01524574710000 0.03316149940000 -0.03388593180000 -0.01786818150000 -0.49003341480000 -1.44363215900000 -0.59881001260000 13.00929625230000 10.77036083090000 3.29797848830000
0.11551117230000 -0.00130795980000 -0.01631785010000 0.00994612800000 -0.00378031060000 0.00130691650000 -0.00061890910000 0.00323396270000 -0.00677531060000 -0.00038674600000 0.16920323250000 0.98259295350000 4.75999107180000 6.52706584480000 -1.908177318370e1 -7.90526241190000 -1.96199708270000
0.02651134280000 0.40943341080000 -0.40837384210000 0.23973327560000 -0.08438140340000 0.02490482970000 -0.01892655190000 0.06685445560000 -0.14896457740000 0.18988569540000 -0.68830601640000 -1.68636153200000 -1.335639560460e1 -1.121680044660e1 19.69934543840000 5.58176910500000 1.12256567770000
0.01997920280000 0.45544839670000 -0.64654237220000 0.42255843820000 -0.15627240010000 0.04798886910000 -0.03318993640000 0.12714661540000 -0.28204603640000 0.28342889490000 0.49848082940000 7.07435846100000 21.48337375910000 10.61693374380000 -1.613967323260e1 -3.92339746610000 -0.69578888850000
0.00831585250000 0.15179862940000 0.14514999270000 -0.15978538550000 0.06940931820000 -0.02320772290000 0.01309497490000 -0.06011872420000 0.12999966490000 -0.04001207640000 -1.98024378740000 -1.615455917720e1 -2.239175355860e1 -7.47770731120000 11.44134757770000 2.71026823690000 0.46224788890000
0.01274466130000 0.11225520450000 0.82409278610000 -1.15882177270000 0.52325848510000 -0.15663401480000 0.12826269290000 -0.47333874380000 1.21104866300000 -2.02513175930000 8.22565153710000 20.63949227430000 17.35633536630000 4.59816593660000 -7.37156812100000 -1.78238496500000 -0.30481778740000
0.00325118820000 0.03103043050000 0.25569778770000 -0.10904687090000 0.02743514630000 -0.01565917720000 -0.01545705090000 0.06362489290000 -0.49088602620000 2.16655724210000 -1.517051527980e1 -1.752561966490e1 -1.105449643080e1 -2.63463129970000 4.38250420070000 1.08738774330000 0.18827692260000
0.00043794590000 0.00244972180000 0.08758656900000 1.07347636440000 -0.83972750200000 0.29188363050000 -0.20989759960000 0.97252504760000 -2.59271485430000 2.10499424820000 16.64211938210000 11.18884703180000 6.13290497460000 1.41290850610000 -2.39574879580000 -0.60578340910000 -0.10600663040000
-0.00002853700000 0.00017155650000 0.02667258880000 0.34831317340000 -0.41559429510000 0.12659467700000 -0.06840287710000 -0.30205397910000 2.90897822490000 -6.86401962800000 -1.275265476930e1 -5.86090556390000 -3.04639448920000 -0.69996116220000 1.19593173230000 0.30588604920000 0.05389844900000
0.00004262530000 0.00015450040000 -0.00031406780000 -0.00514912230000 0.91191131250000 -0.36427785520000 0.37616818070000 -1.07566645460000 0.55576273790000 7.98228385050000 7.53502323910000 2.67292980010000 1.37280632760000 0.31772655000000 -0.54394348720000 -0.13999262840000 -0.02476518980000
-0.00001887840000 -0.00007299150000 0.00023846520000 0.00500570330000 0.55313325960000 -0.55927433220000 0.11819914120000 0.04226017730000 -3.15085645370000 -5.92168856260000 -3.66838875730000 -1.10224878050000 -0.56713758610000 -0.13234555060000 0.22651651540000 0.05847530790000 0.01036566160000
0.00000736190000 0.00002929430000 -0.00007038270000 -0.00164156150000 -0.00632596760000 0.56687150480000 -0.39648862740000 2.16686039030000 2.99894444680000 3.18694999460000 1.54112326710000 0.42129885240000 0.21759445640000 0.05107387930000 -0.08735168500000 -0.02257992780000 -0.00400639010000
-0.00000271760000 -0.00001091620000 0.00002402320000 0.00058689920000 0.00995988540000 0.79981861890000 -0.82839577290000 -2.45107491860000 -1.76249330760000 -1.37878741040000 -0.58656668030000 -0.15344850530000 -0.07945968720000 -0.01870634950000 0.03197770270000 0.00827034720000 0.00146795840000
0.00000079410000 0.00000320430000 -0.00000683970000 -0.00017203620000 -0.00267095540000 -0.03526500960000 1.46255738260000 1.12045436870000 0.59492452770000 0.41580333160000 0.17116183290000 0.04459352400000 0.02313024130000 0.00545144420000 -0.00931697690000 -0.00241003580000 -0.00042782140000
* p-type functions
20 14
4832051.26740000
791661.90190000
170509.34364000
45709.88665500
14569.09925800
5315.49635760
2152.08541830
942.86797038
438.03758231
212.28719086
105.88330098
53.72611141
27.43793670
13.95201827
6.98037976
3.38849060
1.56894164
0.67841477
0.26685764
0.10496971
0.00003667650000 -0.00001738410000 0.00000917420000 -0.00000308160000 0.00000105860000 -0.00000292340000 0.00000463720000 -0.00000792340000 0.00001378930000 -0.00002445490000 0.00005255450000 -0.00009934990000 0.00026103790000 -0.00106260750000
0.00013658760000 -0.00006484350000 0.00003422860000 -0.00001149750000 0.00000395480000 -0.00001088610000 0.00001726250000 -0.00002925400000 0.00005466090000 -0.00008186870000 0.00023861130000 -0.00033789240000 0.00018727530000 0.00250689630000
0.00048784230000 -0.00023219410000 0.00012263450000 -0.00004120190000 0.00001413170000 -0.00003917110000 0.00006215860000 -0.00010725770000 0.00017144930000 -0.00036720850000 0.00056208090000 -0.00151414150000 0.00247026480000 -0.02275379840000
0.00159726630000 -0.00076260110000 0.00040297010000 -0.00013538030000 0.00004667880000 -0.00012772770000 0.00020234190000 -0.00033784450000 0.00071541070000 -0.00075572910000 0.00366820960000 -0.00341383930000 0.01063902830000 0.02629756850000
0.00509695710000 -0.00244942760000 0.00129602720000 -0.00043562690000 0.00014895320000 -0.00041603520000 0.00066119570000 -0.00116401260000 0.00151188560000 -0.00483113410000 0.00289382630000 -0.02102574590000 0.01028425420000 0.02615266620000
0.01575948020000 -0.00763978010000 0.00404890160000 -0.00136100200000 0.00047087930000 -0.00127731640000 0.00201896930000 -0.00329993350000 0.00830604210000 -0.00443842740000 0.05046597890000 -0.02975982220000 0.20677939620000 -0.51856842860000
0.04603941740000 -0.02274880370000 0.01210083590000 -0.00407221040000 0.00138783110000 -0.00390746250000 0.00622086450000 -0.01121203710000 0.01108025280000 -0.05584651960000 0.00323204160000 -0.26340627020000 -0.10677424200000 -1.61817444160000
0.11991301330000 -0.06107419450000 0.03268548860000 -0.01100907470000 0.00382300820000 -0.01027062440000 0.01618122090000 -0.02593957600000 0.07766066420000 -0.01007639840000 0.54721077370000 -0.23060102200000 2.62398795550000 4.41619605240000
0.25287665570000 -0.13554170510000 0.07330111350000 -0.02475961890000 0.00839454650000 -0.02395103120000 0.03827873930000 -0.07155159820000 0.03766370380000 -0.44956738620000 -0.35723830940000 -1.81979426820000 -6.65542193310000 -5.57309713230000
0.37422801720000 -0.20999830420000 0.11482859540000 -0.03884734060000 0.01367808400000 -0.03554697630000 0.05567763300000 -0.08050809930000 0.40187109130000 0.34569931590000 2.29494664030000 6.22747913020000 8.78343605590000 5.19443016310000
0.29936510350000 -0.11584466120000 0.05426644240000 -0.01767623280000 0.00526229960000 -0.02058837560000 0.03562490880000 -0.08963291640000 -0.51548684620000 -1.70437976580000 -7.03283486840000 -8.94971304190000 -8.20455903650000 -4.13490017830000
0.08314445760000 0.28728235320000 -0.22532546400000 0.08281127230000 -0.02680786840000 0.08567000630000 -0.13374929160000 0.33330615820000 0.63027723860000 6.46950297110000 9.95337369180000 8.56185650030000 6.25553209240000 2.98535100520000
-0.00813726360000 0.56607272700000 -0.48107920070000 0.18026450510000 -0.06633581320000 0.15898588410000 -0.28378140040000 0.42387908600000 -3.70764014970000 -1.043441256810e1 -9.05893896780000 -6.42513355790000 -4.21196593120000 -1.99822190480000
-0.00525430450000 0.25867707340000 -0.00795842000000 -0.02387956620000 0.01661885050000 0.02684685010000 -0.08156026580000 0.05271707490000 8.12775416420000 10.10504458150000 6.25947811450000 4.10502442690000 2.59328022480000 1.24157929500000
0.00151778740000 0.03794868030000 0.65224529260000 -0.34399826150000 0.10830383220000 -0.44775814940000 1.16269751880000 -3.34979902690000 -9.30347476630000 -7.07968614550000 -3.61232689560000 -2.32928385230000 -1.46983617160000 -0.71077686500000
0.00144120840000 0.01322012840000 0.45369622670000 -0.26653055250000 0.12336786250000 -0.29790347020000 -0.16715436550000 6.03968692720000 7.02802209460000 4.00737266060000 1.84186429440000 1.19660795030000 0.76334423070000 0.37181172930000
0.00016666970000 0.00090274170000 0.05250679690000 0.33328205140000 -0.18857502380000 0.89472016840000 -2.50994170630000 -5.53431724360000 -4.05203735850000 -1.94474944740000 -0.85359235820000 -0.56038732100000 -0.36136741950000 -0.17681058580000
-0.00001772640000 0.00052173160000 -0.00026379320000 0.66497703170000 -0.24045501580000 0.64102602270000 3.47478027060000 3.41081417320000 1.93867673560000 0.83427917330000 0.36272473140000 0.23963766940000 0.15562671400000 0.07633738530000
-0.00000885570000 -0.00003870360000 -0.00141816300000 0.23254642750000 -0.29315585460000 -2.06902839180000 -2.44451096450000 -1.62304255420000 -0.79987546740000 -0.32475336590000 -0.14200779940000 -0.09408780110000 -0.06132523020000 -0.03011754670000
0.00000022520000 0.00003560460000 0.00017106170000 0.00188165300000 1.22009034320000 1.17656287760000 0.92699110640000 0.52440098160000 0.24208581930000 0.09656140970000 0.04249662520000 0.02818934360000 0.01839981310000 0.00904043750000
* d-type functions
15 14
6618.12215400
1873.69087150
668.13944291
279.32438030
129.44366238
63.68811253
32.19296937
16.29970498
8.09845594
3.87650773
1.75411322
0.73382566
0.27592444
0.08987172
0.02927224
0.00037337670000 -0.00018846240000 0.00003641630000 -0.00003367130000 0.00005177370000 -0.00010644400000 0.00013610500000 -0.00014551890000 0.00056864630000 -0.00011666410000 0.00358682710000 -0.00214602320000 0.03731068190000 -0.06880870010000
0.00288093810000 -0.00146192270000 0.00028212720000 -0.00026262010000 0.00040121920000 -0.00082277080000 0.00110113500000 -0.00152312440000 0.00171428140000 -0.00922786720000 -0.00757690970000 0.06913521860000 0.07243714520000 1.57107049770000
0.01673534040000 -0.00854395180000 0.00165390900000 -0.00153037740000 0.00235267210000 -0.00484092150000 0.00621167410000 -0.00680622500000 0.02505664520000 -0.00896131790000 0.15050043890000 -0.01628048470000 1.76057042760000 -2.08017626480000
0.06639397470000 -0.03439032480000 0.00666061790000 -0.00620219240000 0.00948415140000 -0.01947547010000 0.02609544520000 -0.03577549000000 0.04454150540000 -0.22340492860000 -0.03298648910000 2.18887218050000 -2.93770687670000 2.06381369860000
0.18340772610000 -0.09669759360000 0.01882418310000 -0.01741713910000 0.02680645130000 -0.05520976820000 0.07052045750000 -0.07500144190000 0.31960451710000 -0.12339912680000 2.24866251210000 -4.15552316970000 3.04411277900000 -1.81242601070000
0.33992010670000 -0.17763178510000 0.03443528620000 -0.03215880280000 0.04909500940000 -0.10086634610000 0.13762906890000 -0.20163874290000 0.08176296470000 -1.59369740830000 -4.90148844970000 4.39959978720000 -2.51830886370000 1.43003752580000
0.38182059230000 -0.16583390900000 0.03095778770000 -0.02815037140000 0.04369329750000 -0.09139539650000 0.11739412330000 -0.10664753840000 0.72153078930000 4.46683743720000 5.35695296740000 -3.43953571020000 1.78171322910000 -1.00755530600000
0.19410835160000 0.11990545200000 -0.03336663380000 0.03168975740000 -0.05319642210000 0.12894922410000 -0.21360879350000 0.29883570660000 -3.31818889380000 -5.25165512040000 -3.99060251890000 2.20928259050000 -1.10697645280000 0.63202882640000
0.03527074810000 0.46441698560000 -0.10856279420000 0.10636174670000 -0.16920674390000 0.39512415780000 -0.70577689500000 1.32652354250000 4.54296948770000 3.94603644440000 2.33102373550000 -1.22854963470000 0.61312219310000 -0.35401806760000
0.00655735480000 0.43391395080000 -0.09440425650000 0.07796220650000 -0.10843049710000 0.09894577630000 0.64259594770000 -3.10599496380000 -3.52235851860000 -2.26702953830000 -1.16087052070000 0.60941132220000 -0.30609980620000 0.17828583340000
0.00158196780000 0.13360099460000 0.08608079820000 -0.10617484550000 0.25130658120000 -0.88641679570000 0.90959323680000 3.14018745620000 1.94769905470000 1.09254178260000 0.51808539270000 -0.27454360620000 0.13894482660000 -0.08137283340000
0.00016718470000 0.00737355140000 0.31953265860000 -0.33698443330000 0.44691023050000 -0.06566871690000 -1.83451287700000 -2.06877542730000 -0.87643065150000 -0.46346445140000 -0.21224210510000 0.11345997780000 -0.05772579850000 0.03390603790000
-0.00001299930000 0.00091628940000 0.47789895970000 -0.22608093030000 -0.05816551540000 1.08254165250000 1.51053163200000 1.03551974210000 0.34559673960000 0.17852045930000 0.08068296730000 -0.04334457900000 0.02211473010000 -0.01300613690000
0.00000613980000 -0.00018624730000 0.35532089160000 0.34389818550000 -0.97679269680000 -1.04150015840000 -0.82120024110000 -0.43904966890000 -0.12792811990000 -0.06559064020000 -0.02948968400000 0.01587621190000 -0.00810989000000 0.00477178690000
-0.00000205490000 0.00008953300000 0.06169672490000 0.69285976680000 0.95696273840000 0.49599167910000 0.30629201820000 0.14904712930000 0.04146688790000 0.02125613850000 0.00955573930000 -0.00514820720000 0.00263100230000 -0.00154825750000
* f-type functions
10 10
365.92558186
125.18163715
52.72961775
24.49636718
11.76786836
5.63657394
2.62234326
1.14584796
0.44341616
0.17159161
0.00159438320000 -0.00119823090000 0.00171805720000 -0.00216254190000 0.00265615470000 -0.00451242130000 0.01083530140000 -0.04943612360000 0.17213652510000 -1.28059745310000
0.01350280630000 -0.01015680410000 0.01483047440000 -0.01880374190000 0.02267492750000 -0.03343887040000 0.08657301060000 -0.02833587420000 1.40060663850000 1.42557549810000
0.05709309870000 -0.04316398230000 0.06213734280000 -0.07833079700000 0.09619836970000 -0.16870942150000 0.48138503680000 -1.61210951000000 -1.95188626180000 -1.25918199680000
0.15687101650000 -0.11967155780000 0.17677124550000 -0.23380548780000 0.29228785580000 -0.45332778960000 0.71621250380000 2.89278016330000 1.68764632350000 0.94499559740000
0.28476119150000 -0.20207713510000 0.27891474800000 -0.30608611380000 0.29603676630000 -0.00734662750000 -2.27730512270000 -2.82323673870000 -1.14830965090000 -0.61153696800000
0.34630999280000 -0.14657345750000 0.11925580440000 0.20900392260000 -0.74648756830000 1.51848145580000 2.49041860940000 1.96824966160000 0.65965588380000 0.34554317310000
0.30436788640000 0.07542477150000 -0.33839894580000 0.63464951550000 -0.20181645310000 -2.21694361350000 -1.73318144910000 -1.08055667830000 -0.32697402370000 -0.17086865630000
0.18506028330000 0.31638994340000 -0.45000246820000 -0.26791556390000 1.24024531520000 1.73008280230000 0.90000634910000 0.48758268940000 0.14005772790000 0.07341153420000
0.05888250200000 0.38408665780000 0.05863299350000 -0.82447946410000 -1.34220428560000 -0.94901527110000 -0.38881621180000 -0.19382578480000 -0.05413326670000 -0.02848421020000
0.00321476720000 0.43356771750000 0.68235704260000 0.77929170170000 0.70613124860000 0.36574496500000 0.13502500780000 0.06503094270000 0.01794358350000 0.00946891150000
* g-type functions
4 4
2.07483318
1.27093367
0.47873557
0.17605690
0.63401995180000 -1.08940986920000 1.29511732850000 -1.16106842500000
-0.03465211310000 0.46511300140000 -1.43378940950000 2.00883396390000
0.51563342860000 0.14536427350000 -0.23166305490000 -1.48921212230000
0.26436588390000 0.58835382350000 0.67781482360000 0.79634717880000
* h-type functions
3 3
1.39650904
0.72924077
0.29343939
0.76070089880000 -0.95347880800000 0.91155181430000
0.04475517910000 0.52859767000000 -1.67829107900000
0.47820468000000 0.61961504680000 0.97425941150000
/Ta.ANO-R.Zobel.25s20p15d10f4g3h.16s15p13d10f4g3h.
J.P. Zobel, P.-O. Widmark, V. Veryazov. J. Chem. Theory Comput. 16 (2020) 278-294. doi:10.1021/acs.jctc.9b00873
TANTALUM (25s,20p,15d,10f,4g,3h) -> [16s,15p,13d,10f,4g,3h]
73.0 5
* s-type functions
25 16
59549903.80000000
14287546.44600000
3915925.23420000
1197112.36020000
400236.36587000
144029.91548000
55082.87578300
22164.76878200
9311.36332580
4059.14857040
1827.37552110
846.06709141
401.30628870
194.19180041
95.39407691
47.27647642
23.44917130
11.52140921
5.53490838
2.55770114
1.11427175
0.44662743
0.15997383
0.04947049
0.01529831
0.00031435820000 -0.00030245700000 0.00007568590000 -0.00004371520000 0.00001451870000 -0.00000421780000 0.00000632400000 -0.00002183900000 0.00002064370000 -0.00002464130000 0.00003857400000 -0.00007927550000 0.00011904370000 -0.00042931300000 0.01020120940000 -0.01589350210000
0.00084748980000 -0.00081584320000 0.00020430410000 -0.00011799710000 0.00003919090000 -0.00001138610000 0.00001707180000 -0.00005894970000 0.00005572830000 -0.00006642050000 0.00010311090000 -0.00021987460000 0.00029318750000 -0.00081979700000 -0.03549112860000 0.05931601450000
0.00183910590000 -0.00177225210000 0.00044435650000 -0.00025662310000 0.00008522950000 -0.00002475840000 0.00003712220000 -0.00012820700000 0.00012118060000 -0.00014478990000 0.00022795870000 -0.00045679610000 0.00073799130000 -0.00270248460000 0.09207804770000 -0.16902813990000
0.00365293290000 -0.00352772310000 0.00088705350000 -0.00051218790000 0.00017013150000 -0.00004943390000 0.00007411960000 -0.00025590830000 0.00024197210000 -0.00028785010000 0.00044182220000 -0.00098876460000 0.00113627430000 -0.00380252470000 -0.21324292210000 0.37303879390000
0.00712086390000 -0.00690332670000 0.00174384570000 -0.00100662890000 0.00033432030000 -0.00009709900000 0.00014559140000 -0.00050297380000 0.00047529560000 -0.00056996640000 0.00091582800000 -0.00167022760000 0.00341481650000 -0.01502943370000 0.49290242160000 -0.58863219570000
0.01369028620000 -0.01335787890000 0.00340317140000 -0.00196332220000 0.00065234360000 -0.00018961460000 0.00028429890000 -0.00098124990000 0.00092831320000 -0.00109746410000 0.00162283180000 -0.00420977270000 0.00272986680000 -0.00164060020000 -0.92999117820000 0.82945411920000
0.02643799680000 -0.02606833060000 0.00672226960000 -0.00387567670000 0.00128720090000 -0.00037366690000 0.00056035430000 -0.00193734420000 0.00182987710000 -0.00221669570000 0.00375494450000 -0.00515445640000 0.01819065230000 -0.07968713690000 1.59560184070000 -1.05192752750000
0.05073357800000 -0.05087684820000 0.01340531380000 -0.00771750700000 0.00256615090000 -0.00074649930000 0.00111912990000 -0.00386008860000 0.00365555990000 -0.00425741290000 0.00572964260000 -0.02038962210000 -0.00354979440000 -0.01473011060000 -3.20403590910000 1.69162983850000
0.09463839720000 -0.09776920430000 0.02660860940000 -0.01529903260000 0.00508245270000 -0.00147398890000 0.00221136680000 -0.00765735480000 0.00722876770000 -0.00894430710000 0.01671100650000 -0.00997515760000 0.11117351390000 -0.23504762900000 6.60559760030000 -3.30378420760000
0.16128068920000 -0.17602932950000 0.05097951160000 -0.02921557190000 0.00973438320000 -0.00283646880000 0.00425088450000 -0.01464715880000 0.01389713430000 -0.01568334830000 0.01669153480000 -0.10707967750000 -0.12117304870000 -0.35233777010000 -7.98169427430000 2.41155068890000
0.22222841960000 -0.27027567610000 0.08640622870000 -0.04946286620000 0.01646073340000 -0.00476303170000 0.00715520630000 -0.02487447090000 0.02346617150000 -0.03056613420000 0.06940509930000 0.05109839250000 0.69299863820000 -0.19265211530000 8.44337198450000 3.68391443950000
0.19584959270000 -0.27932456540000 0.10248079520000 -0.05855381410000 0.01967668660000 -0.00577664070000 0.00863981820000 -0.02960310280000 0.02829956220000 -0.02715030340000 -0.01429976580000 -0.49745819860000 -1.31501917190000 -0.71719058760000 -1.172196057640e1 -1.148083022300e1
0.10842866190000 -0.04432038070000 -0.01646471740000 0.00988883390000 -0.00375197280000 0.00123805130000 -0.00179000620000 0.00553706080000 -0.00594761070000 -0.00980713130000 0.15937457880000 1.00924944970000 4.11303384970000 6.70831917250000 15.29087358140000 15.89120151340000
0.17143100390000 0.38355715780000 -0.38785848280000 0.24605781230000 -0.08566721290000 0.02465565030000 -0.03737392010000 0.13330974080000 -0.12697839850000 0.19521600620000 -0.66249104690000 -1.74604820710000 -1.232565590930e1 -1.197756502110e1 -1.560355807110e1 -1.560518007290e1
0.18377242370000 0.44167639110000 -0.62372857010000 0.43680922580000 -0.16034921610000 0.04773516400000 -0.07170629380000 0.25048445090000 -0.24786465600000 0.20998107480000 0.44008766710000 7.17699248170000 20.54069514500000 12.05049554370000 12.90099733740000 12.52394950920000
0.06238864320000 0.13499139330000 0.13933837790000 -0.15913630560000 0.06965015850000 -0.02237125230000 0.03315995850000 -0.11103341810000 0.11200605890000 0.07949322610000 -1.85523572690000 -1.634012744040e1 -2.177895580400e1 -9.05917577530000 -9.24738103880000 -8.85860499570000
0.04968676500000 0.06917743060000 0.80091839150000 -1.17894336710000 0.53388797150000 -0.15624571270000 0.24848179190000 -1.03949367980000 1.19450353750000 -2.17230601360000 8.05339655010000 20.95133508300000 17.04279576560000 5.85112713050000 6.01168380420000 5.73465974450000
0.01397958150000 0.01937284970000 0.25733302680000 -0.12671047300000 0.03672501980000 -0.01709059640000 0.00242222760000 0.33066983410000 -0.81623753780000 2.71653539600000 -1.510445304860e1 -1.791361770410e1 -1.092297801460e1 -3.44155621970000 -3.59735181880000 -3.42857859820000
0.00277001980000 0.00291377590000 0.11197102090000 1.07461467700000 -0.86780364940000 0.29221095110000 -0.47941312610000 2.16150978060000 -2.35767099240000 0.82065430500000 16.82490378480000 11.53353643880000 6.08705496040000 1.86441606420000 1.97527383720000 1.88262415780000
0.00052314090000 0.00050465870000 0.03485195360000 0.35200556390000 -0.42279980420000 0.13183275730000 -0.09821738270000 -1.73316084790000 4.49847505730000 -5.30016894950000 -1.312859073940e1 -6.09117070220000 -3.03232849500000 -0.92563093300000 -0.98854681370000 -0.94230783880000
0.00008584310000 0.00011469430000 -0.00049672890000 -0.00552829590000 0.94985905950000 -0.38939384520000 0.70142034280000 -1.64209748900000 -3.19299250340000 6.98931244830000 7.93609692160000 2.79665830330000 1.36800290960000 0.41957848140000 0.44992153560000 0.42891517110000
-0.00003581060000 -0.00004882310000 0.00037691680000 0.00522898100000 0.53357665480000 -0.51899795380000 0.59006881130000 2.95988187430000 0.40659845780000 -5.88601613350000 -3.99132503790000 -1.15900063860000 -0.56478271630000 -0.17423810330000 -0.18716493230000 -0.17843231510000
0.00001465010000 0.00002018670000 -0.00011929360000 -0.00172489730000 -0.01113738250000 0.55309860580000 -2.03564468800000 -1.38377267450000 1.57169007530000 3.89003281200000 1.77354813410000 0.44469344960000 0.21625058000000 0.06699599620000 0.07201056420000 0.06865097410000
-0.00000555320000 -0.00000758070000 0.00003582820000 0.00057477800000 0.00724412640000 0.78028346940000 1.00835594230000 -0.26378423010000 -2.21335677740000 -2.37442199770000 -0.75395384640000 -0.16289713220000 -0.07879643610000 -0.02446356320000 -0.02629952630000 -0.02507246670000
0.00000160550000 0.00000220990000 -0.00001152250000 -0.00017764260000 -0.00251905940000 -0.00597254040000 0.43751081850000 0.62382373350000 1.45492378020000 1.09813832550000 0.26069851620000 0.04782255690000 0.02291442600000 0.00711951720000 0.00765418660000 0.00729705530000
* p-type functions
20 15
5174625.04700000
845131.75178000
181872.71019000
48754.82470500
15536.89051700
5663.82452510
2289.30517490
1000.63162770
463.62012026
224.10639611
111.56170346
56.56160597
28.90650270
14.73451210
7.40206009
3.61243855
1.68232790
0.73101195
0.28815532
0.11358705
0.00003537850000 -0.00002048410000 0.00000922210000 -0.00000318730000 0.00000133320000 -0.00000311650000 0.00000498520000 -0.00000773860000 0.00001557390000 -0.00002367900000 0.00003869640000 -0.00008393550000 0.00099756850000 -0.02481259880000 0.00302546070000
0.00013200980000 -0.00007654470000 0.00003447690000 -0.00001191660000 0.00000498590000 -0.00001162960000 0.00001856490000 -0.00002856480000 0.00005948770000 -0.00005903600000 0.00003325240000 -0.00037114190000 -0.01467422860000 -1.16934138910000 -0.01368086500000
0.00046790880000 -0.00027193470000 0.00012258920000 -0.00004237970000 0.00001772300000 -0.00004149990000 0.00006659970000 -0.00010395910000 0.00019820250000 -0.00037469460000 0.00050197070000 -0.00174500310000 0.02523302670000 0.57074705470000 0.05101189900000
0.00151758810000 -0.00088449050000 0.00039909560000 -0.00013798120000 0.00005774270000 -0.00013444790000 0.00021312480000 -0.00032818280000 0.00076255360000 -0.00071491850000 0.00317155700000 -0.00377398750000 -0.08380842380000 -0.18538237440000 -0.12812839700000
0.00479319630000 -0.00280974510000 0.00127045710000 -0.00043943140000 0.00018371170000 -0.00043147640000 0.00069832950000 -0.00109753640000 0.00180981130000 -0.00471332240000 0.00055548450000 -0.02311226560000 0.19512918430000 0.07922767680000 0.43035383170000
0.01470268150000 -0.00868671220000 0.00393855200000 -0.00136280060000 0.00057053020000 -0.00132326010000 0.00207675530000 -0.00317731250000 0.00843661910000 -0.00390268440000 0.04571837830000 -0.03497969110000 -0.61781550550000 -0.04715222790000 -1.37746498410000
0.04277843770000 -0.02570278630000 0.01172229400000 -0.00406045250000 0.00169709130000 -0.00399800410000 0.00653218680000 -0.01037082880000 0.01440814410000 -0.05444316670000 -0.02612403870000 -0.28479252370000 1.05079218840000 0.02781827480000 4.32558535330000
0.11158725330000 -0.06889184410000 0.03172464010000 -0.01100650840000 0.00460991010000 -0.01064215630000 0.01651273950000 -0.02518826020000 0.07678034150000 -0.00570593230000 0.50392588250000 -0.21334906880000 -3.97229829960000 0.00414810560000 -6.42419228040000
0.23684599250000 -0.15308297960000 0.07163927770000 -0.02492693970000 0.01041621380000 -0.02466280820000 0.04093215640000 -0.06600515550000 0.06645020460000 -0.44083268700000 -0.53880662360000 -1.89229826450000 7.95427679650000 -0.03804005140000 6.27321667390000
0.35497857970000 -0.23965364860000 0.11404961450000 -0.03979855100000 0.01669971040000 -0.03805917660000 0.05690836380000 -0.08393999890000 0.37536723190000 0.36297321990000 2.98210395200000 6.02362148590000 -9.79497223730000 0.05359592000000 -5.00301155120000
0.29443723140000 -0.14708303820000 0.05854432530000 -0.01963174710000 0.00812003830000 -0.02214510590000 0.04616576340000 -0.07565929040000 -0.38437050010000 -1.77202992990000 -8.00272218290000 -8.14517191220000 8.95922102850000 -0.04950728870000 3.67957260930000
0.11044916260000 0.27024075890000 -0.21417708850000 0.08167441860000 -0.03413541850000 0.08352865790000 -0.14992071970000 0.27181407340000 0.22557675750000 6.60245574020000 10.87614947050000 7.42869716640000 -6.83595628820000 0.03696295060000 -2.60612707960000
0.03901092390000 0.57094386380000 -0.47643780180000 0.18517494510000 -0.07870527010000 0.17564932510000 -0.28366417410000 0.50601488440000 -3.14282508150000 -1.081032870980e1 -9.79682547490000 -5.43059191090000 4.65256722630000 -0.02457220860000 1.76513202160000
0.01561186880000 0.26827524520000 -0.02530709560000 -0.01575127960000 0.00738233340000 0.03425343790000 -0.16127945530000 -0.00929894150000 7.67238467540000 10.80430035610000 6.79253465850000 3.45056684340000 -2.90271953300000 0.01509696080000 -1.11903143780000
0.00154238900000 0.03229650450000 0.64515998330000 -0.34704004270000 0.15053647940000 -0.45844472470000 1.45898904010000 -3.32680149750000 -9.07392440990000 -7.86632657320000 -3.95589575200000 -1.97080277170000 1.66364547650000 -0.00858583850000 0.65198808600000
0.00035847930000 0.00801436020000 0.46870756010000 -0.28596203140000 0.13873100080000 -0.42375469670000 -0.64541396070000 6.12861094040000 6.96494550850000 4.61310838810000 2.03435723440000 1.02098594230000 -0.86972315300000 0.00447321050000 -0.34490421890000
-0.00001323210000 0.00016127000000 0.05687789810000 0.33732480150000 -0.20273037510000 1.22290759960000 -2.06800956270000 -5.77403549280000 -4.05902345460000 -2.29929034830000 -0.94632512230000 -0.47987236260000 0.41210666830000 -0.00211622930000 0.16464334340000
0.00001993100000 0.00025886170000 -0.00164721980000 0.67262395290000 -0.41573375430000 0.23397527360000 3.29368058120000 3.70170649180000 1.95877034800000 1.00355496480000 0.40126795320000 0.20464143220000 -0.17668540960000 0.00090649660000 -0.07088498240000
-0.00000760990000 -0.00011717080000 -0.00170466860000 0.22654353990000 0.01143684360000 -1.84451633320000 -2.51272244330000 -1.85448669980000 -0.81573625180000 -0.39454447590000 -0.15634928120000 -0.07990335030000 0.06918473720000 -0.00035479500000 0.02781375120000
0.00000231700000 0.00003322470000 0.00011739460000 0.00305469690000 1.05441099000000 1.21331975850000 1.02735923630000 0.63005854090000 0.24973989360000 0.11801205530000 0.04668861270000 0.02387604080000 -0.02069729110000 0.00010612530000 -0.00832731410000
* d-type functions
15 13
6945.00533640
1957.63762750
697.07220252
291.38744044
135.05720251
66.44827301
33.58219621
17.00687650
8.46381298
4.06997142
1.85906217
0.79071417
0.30526804
0.10341289
0.03503225
0.00037123910000 -0.00018646890000 0.00004267410000 -0.00004617580000 0.00009401390000 -0.00009069550000 0.00013001830000 -0.00014650700000 0.00052513270000 -0.00019993450000 0.00424236560000 -0.00302650070000 0.03955371360000
0.00285816200000 -0.00144332640000 0.00033032830000 -0.00035973190000 0.00072465010000 -0.00070678630000 0.00108511900000 -0.00141537650000 0.00106320140000 -0.00906546190000 -0.01527752900000 0.08701775090000 -0.17423101820000
0.01655565370000 -0.00841174590000 0.00192861570000 -0.00208865470000 0.00425359250000 -0.00410907350000 0.00591831400000 -0.00676497760000 0.02296267680000 -0.01209064150000 0.17427770960000 -0.04739247480000 2.06585534430000
0.06567868560000 -0.03385856990000 0.00777577560000 -0.00847442890000 0.01710165810000 -0.01670047550000 0.02563257480000 -0.03323952870000 0.02789463980000 -0.21931008300000 -0.32050337720000 2.23504748450000 -3.19414823490000
0.18207962240000 -0.09556257300000 0.02202805670000 -0.02386531910000 0.04870681140000 -0.04701854350000 0.06724031880000 -0.07541787500000 0.28846054600000 -0.17060697220000 2.74962993930000 -3.93503488310000 3.20673860040000
0.33961406940000 -0.17677348880000 0.04066011560000 -0.04443784710000 0.08945190130000 -0.08783255680000 0.13808766010000 -0.18447203260000 -0.01173534010000 -1.56754829770000 -5.41729318150000 3.87136634610000 -2.59700248530000
0.38379313600000 -0.16620136600000 0.03670113180000 -0.03888533020000 0.08072009090000 -0.07849876810000 0.10958368660000 -0.14104822310000 1.04307913850000 4.38111228590000 5.78680536040000 -2.86393737850000 1.81693194340000
0.19546880770000 0.11919055830000 -0.03890235480000 0.04477820590000 -0.11074919690000 0.12501017700000 -0.20996425650000 0.37403713700000 -3.73290990220000 -4.99558955990000 -4.32350617540000 1.79288227350000 -1.12924047850000
0.03361761350000 0.46490680370000 -0.12884554930000 0.14956092820000 -0.33221298190000 0.38054230500000 -0.75048163080000 1.20216026800000 4.94793047260000 3.64044326810000 2.57037971290000 -0.99819507980000 0.63224784420000
0.00446634240000 0.43404350810000 -0.11032013220000 0.10230228810000 -0.13097167820000 -0.07672377620000 0.89108035560000 -3.06894105020000 -3.87503064650000 -2.06562381490000 -1.31397362500000 0.50434693900000 -0.32168141220000
0.00089841120000 0.13276975040000 0.10176359700000 -0.17417484480000 0.71225234440000 -0.83696039290000 0.52716135400000 3.29526985840000 2.20592816410000 1.00750227390000 0.60429782720000 -0.23338317270000 0.14964923720000
0.00013112130000 0.00713261490000 0.38004989220000 -0.46531675470000 0.27738435020000 0.60550397530000 -1.66478499710000 -2.32972025060000 -1.03317540790000 -0.43974991710000 -0.25542841840000 0.09938063160000 -0.06393525990000
-0.00002257420000 0.00085693440000 0.50311532130000 -0.08817670890000 -0.80281711930000 0.40282609810000 1.67284754420000 1.27142879860000 0.42684378200000 0.17544266870000 0.10017845000000 -0.03914265420000 0.02522580290000
0.00000852330000 -0.00023363210000 0.26356893420000 0.72868390300000 0.06589622340000 -1.11625323150000 -1.15825929000000 -0.59804775280000 -0.16523718850000 -0.06669674810000 -0.03763386090000 0.01472936570000 -0.00949967470000
-0.00000301440000 0.00008400190000 -0.00963577070000 0.27330443510000 0.60262077910000 1.02810513400000 0.57716049810000 0.22408230100000 0.05458626220000 0.02187356970000 0.01225859700000 -0.00480061670000 0.00309751470000
* f-type functions
10 10
402.98310697
137.90141661
58.23595885
27.15741268
13.11813518
6.33585791
2.98383952
1.32515685
0.52256047
0.20606575
0.00142743560000 -0.00081438910000 0.00169371050000 -0.00196984690000 0.00267161480000 -0.00470398340000 0.01084814110000 -0.04839442450000 0.13207727870000 -1.28690453750000
0.01225598650000 -0.00697937600000 0.01487770080000 -0.01748244310000 0.02131592030000 -0.03584935440000 0.08110378650000 -0.03745688270000 -1.70440279200000 1.06719394500000
0.05297445050000 -0.03037497660000 0.06354973670000 -0.07389745490000 0.09926194500000 -0.18492485010000 0.43335804640000 -1.63510414000000 2.23132022600000 -0.78420852910000
0.14890225830000 -0.08594942530000 0.18529399980000 -0.22473422340000 0.28104602450000 -0.50862189720000 0.79585942440000 2.92351386740000 -1.92942806480000 0.54516522490000
0.27907092430000 -0.15385573470000 0.30814031060000 -0.32618968400000 0.34223240270000 0.09116130310000 -2.41506483470000 -2.85133857550000 1.33171214140000 -0.34773315440000
0.34785391340000 -0.13325092420000 0.15831473130000 0.17312019870000 -0.78886714610000 1.45362720320000 2.71517898960000 2.00079868310000 -0.77957292780000 0.19939106290000
0.30998335440000 0.00710142350000 -0.33777972830000 0.68756860870000 -0.20174602340000 -2.21611426540000 -1.97315455500000 -1.11499358640000 0.39385841890000 -0.10104561350000
0.18569923270000 0.24636000340000 -0.51110875840000 -0.28705690900000 1.27255577150000 1.77210711080000 1.07081062780000 0.51369152180000 -0.17139624800000 0.04440404150000
0.05529747800000 0.41136726630000 0.01162334770000 -0.82177084860000 -1.38084917930000 -1.00042606270000 -0.48008466830000 -0.20862368530000 0.06700684030000 -0.01749277570000
0.00235564200000 0.50627174610000 0.61180915470000 0.79944802720000 0.73292893310000 0.39465716560000 0.16980337590000 0.07078695880000 -0.02226834870000 0.00583322380000
* g-type functions
4 4
2.37955014
1.46945935
0.65167276
0.22618971
0.74163448190000 -1.01915136550000 1.44744733520000 -1.28821011800000
-0.13876543570000 0.47583131220000 -1.58773841160000 2.40381310130000
0.51972063420000 0.10570624880000 -0.14336349240000 -1.75346517950000
0.22298665750000 0.68686227410000 0.61537447890000 0.76155763210000
* h-type functions
3 3
2.22740170
0.90255094
0.31938803
0.69158621970000 -0.73512867490000 0.65298133360000
0.25397245050000 0.31387995910000 -1.26676673080000
0.38779255580000 0.69682254910000 0.80497399440000
/W.ANO-R.Zobel.25s20p15d10f4g3h.17s13p13d10f4g3h.
J.P. Zobel, P.-O. Widmark, V. Veryazov. J. Chem. Theory Comput. 16 (2020) 278-294. doi:10.1021/acs.jctc.9b00873
TUNGSTEN (25s,20p,15d,10f,4g,3h) -> [17s,13p,13d,10f,4g,3h]
74.0 5
* s-type functions
25 17
59608214.42800000
14391623.99400000
3970912.58200000
1221796.75040000
410866.16401000
148575.06259000
57035.89659200
23011.99563400
9683.22365280
4224.57430770
1902.11822800
880.45538694
417.46520499
201.96754114
99.23105167
49.21530300
24.44667192
12.03815208
5.79989875
2.68919118
1.17564920
0.47268469
0.16963968
0.05245476
0.01621968
0.00043290890000 -0.00014954270000 0.00009439230000 -0.00004600360000 0.00001567880000 -0.00000481600000 0.00000792350000 -0.00002414440000 0.00002754540000 -0.00001967730000 0.00004166180000 -0.00008613140000 0.00012426290000 -0.00053920120000 0.01122188680000 -0.01196424160000 0.03938103830000
0.00116248470000 -0.00040191730000 0.00025373410000 -0.00012366580000 0.00004215000000 -0.00001294810000 0.00002130120000 -0.00006491090000 0.00007403130000 -0.00005276760000 0.00011096930000 -0.00023747810000 0.00031955700000 -0.00036612200000 -0.06127729600000 0.05512823290000 -0.21538962130000
0.00250432090000 -0.00086729240000 0.00054761920000 -0.00026692150000 0.00009097310000 -0.00002794250000 0.00004597400000 -0.00014009260000 0.00015985600000 -0.00011436530000 0.00024327150000 -0.00049120370000 0.00076136100000 -0.00374297100000 0.17597127630000 -0.17628990370000 0.32896208470000
0.00493913350000 -0.00171644620000 0.00108443550000 -0.00052866010000 0.00018021530000 -0.00005536720000 0.00009107890000 -0.00027755620000 0.00031645970000 -0.00022491320000 0.00046865160000 -0.00104937080000 0.00121669350000 -0.00235243530000 -0.34363164460000 0.51728039500000 -0.43033998600000
0.00956676380000 -0.00334520180000 0.00211475690000 -0.00103122210000 0.00035148740000 -0.00010793920000 0.00017762560000 -0.00054126860000 0.00061807830000 -0.00044459490000 0.00096148430000 -0.00177847070000 0.00337200730000 -0.01087642030000 0.73799175200000 -1.52678711410000 0.53128442270000
0.01828841590000 -0.00646049630000 0.00409148010000 -0.00199602360000 0.00068075210000 -0.00020922230000 0.00034408160000 -0.00104873610000 0.00119441330000 -0.00084094540000 0.00170004230000 -0.00437321070000 0.00309893370000 -0.01883946720000 -1.35794217030000 3.73987324990000 -1.69722096580000
0.03517309320000 -0.01263111050000 0.00801174640000 -0.00391154430000 0.00133348790000 -0.00040930130000 0.00067391040000 -0.00205355480000 0.00235027870000 -0.00171585360000 0.00387246340000 -0.00551219750000 0.01788127600000 -0.03204142050000 2.25584377370000 -7.00830151080000 1.55046371960000
0.06738280150000 -0.02483225220000 0.01582403840000 -0.00773410390000 0.00264087920000 -0.00081231410000 0.00133503490000 -0.00407100770000 0.00462287540000 -0.00318204790000 0.00595849940000 -0.02066286480000 -0.00262103500000 -0.09118706120000 -1.80956539540000 9.75861893020000 -0.21310452330000
0.12614509540000 -0.04858517770000 0.03109988890000 -0.01523564690000 0.00519775160000 -0.00159386270000 0.00262751430000 -0.00800653190000 0.00921225780000 -0.00693226310000 0.01692630790000 -0.01155287450000 0.11111509140000 -0.11395239760000 1.14918087390000 -9.06951965300000 -1.41796348080000
0.21796609780000 -0.09069314740000 0.05885450710000 -0.02893465040000 0.00991149640000 -0.00305382960000 0.00501209670000 -0.01530248760000 0.01726614690000 -0.01132242210000 0.01749821450000 -0.10603379870000 -0.12224236690000 -0.37394051330000 -1.07319317740000 5.80894479470000 -0.54796734600000
0.31139158250000 -0.14896557720000 0.09837032190000 -0.04878330580000 0.01669332180000 -0.00510728880000 0.00844712510000 -0.02574258260000 0.03003623610000 -0.02426128740000 0.06912125330000 0.04222426520000 0.68994960980000 -0.19204079110000 4.39832394290000 -2.44024872080000 5.31663531350000
0.29255375000000 -0.16743519780000 0.11503144850000 -0.05765776990000 0.01997609270000 -0.00620136390000 0.01010870190000 -0.03101105680000 0.03388901390000 -0.01686317200000 -0.01087874370000 -0.48126578650000 -1.30693158140000 -1.02941268490000 -1.165667699920e1 -0.22527935810000 -7.65101505740000
0.11910640880000 0.00246663560000 -0.01410943760000 0.00919800170000 -0.00373288440000 0.00130660510000 -0.00189693080000 0.00624728770000 -0.00320696540000 -0.01639449380000 0.15281073380000 0.96198155350000 4.09785976030000 7.39723772580000 17.40130194430000 1.81764915090000 6.80946767130000
0.00362537050000 0.39853381700000 -0.40729083140000 0.24022604990000 -0.08649165600000 0.02632405320000 -0.04429947040000 0.13674622160000 -0.16971254240000 0.16833638860000 -0.65145593690000 -1.60034937200000 -1.233717296790e1 -1.282671105290e1 -1.804901905240e1 -2.23754575070000 -4.98111461020000
-0.00596219880000 0.44953603250000 -0.65230715350000 0.42956957840000 -0.16364673560000 0.05153296160000 -0.08415986300000 0.26577907930000 -0.29240075420000 0.11024536830000 0.38961209410000 6.95559385080000 20.70272816550000 12.83750123980000 14.90981090450000 1.91033881630000 3.43857290230000
-0.00147066070000 0.15686688640000 0.12808173170000 -0.15078541050000 0.06937190190000 -0.02363883220000 0.03662588740000 -0.12202645140000 0.08452952530000 0.17705110060000 -1.74896669450000 -1.620567357030e1 -2.216782647720e1 -9.67305541650000 -1.069305633420e1 -1.36155852840000 -2.32828433770000
0.00354350540000 0.12472396210000 0.81749276200000 -1.16419862380000 0.54100751540000 -0.16765447020000 0.30102227990000 -1.08170367310000 1.72454740710000 -1.95393921300000 7.96533802690000 21.03936616820000 17.54616712970000 6.27546104640000 6.97007133440000 0.87291591060000 1.51698357280000
0.00067448080000 0.03591297190000 0.26251860720000 -0.13723267710000 0.04871878480000 -0.02204534660000 -0.00673629820000 0.33986099130000 -1.52970042470000 2.73116702850000 -1.513723386250e1 -1.817865662110e1 -1.136123018310e1 -3.70707073610000 -4.18401898570000 -0.51601595550000 -0.92401506910000
0.00028757180000 0.00229847750000 0.09276623240000 1.07982016040000 -0.89206282560000 0.31915474610000 -0.57339741280000 2.33182551040000 -2.53159330400000 -0.34064254480000 16.98882882890000 11.82089914130000 6.37522536810000 2.01462492710000 2.30297733330000 0.28098085520000 0.51547354670000
-0.00004766490000 0.00012098390000 0.02896063170000 0.35898213150000 -0.42703784630000 0.14203154510000 -0.10562729030000 -2.03110780890000 6.11301119910000 -3.23730284220000 -1.333983538230e1 -6.29823853260000 -3.18573576080000 -1.00157361900000 -1.15355152680000 -0.13982279750000 -0.26051050200000
0.00003643140000 0.00014178420000 -0.00048399890000 -0.00609185560000 0.97095167610000 -0.43412904580000 0.95954362600000 -1.49740062660000 -5.71535172110000 5.16883188220000 8.11931637380000 2.91282545570000 1.43688246580000 0.45362258240000 0.52441894660000 0.06333653590000 0.11903464510000
-0.00001550840000 -0.00007009050000 0.00031760870000 0.00548004730000 0.52070880790000 -0.53973125890000 0.28177928830000 3.21623898730000 2.84899438250000 -5.04002940250000 -4.13099352040000 -1.21451556680000 -0.59157440600000 -0.18781618470000 -0.21746989330000 -0.02621765940000 -0.04948845740000
0.00000593950000 0.00002784050000 -0.00010229800000 -0.00181832620000 -0.00926767450000 0.65177413600000 -1.96757380730000 -1.93500795080000 -0.18646704580000 3.96791476350000 1.88387279940000 0.46901021070000 0.22553505120000 0.07189944460000 0.08329522760000 0.01003379970000 0.01897637770000
-0.00000217760000 -0.00001043050000 0.00002955490000 0.00060024750000 0.00566727940000 0.73127937870000 1.20330353920000 0.21902561490000 -1.17352812770000 -2.95037591570000 -0.84647432680000 -0.17396581910000 -0.08187393300000 -0.02615159460000 -0.03030155830000 -0.00364898330000 -0.00690630760000
0.00000063180000 0.00000304120000 -0.00000965050000 -0.00018570020000 -0.00229360750000 -0.02964628450000 0.28437459550000 0.42876151800000 1.04363252000000 1.58701948010000 0.31572155580000 0.05224456000000 0.02379265430000 0.00760249610000 0.00880969390000 0.00106077840000 0.00200817370000
* p-type functions
20 13
5515774.47460000
899548.02457000
193593.20137000
51916.59911300
16544.16672400
6026.31472680
2431.92509560
1060.58312480
490.14591166
236.35866028
117.45070961
59.50418613
30.43110078
15.54683576
7.83980367
3.84507356
1.80034164
0.78594262
0.31050753
0.12267426
0.00003729310000 -0.00001743560000 0.00000975750000 -0.00000331140000 0.00000163340000 -0.00000333180000 0.00000538330000 -0.00000753420000 0.00001557450000 -0.00002511320000 0.00004120600000 -0.00009737250000 0.00129883540000
0.00013930420000 -0.00006523590000 0.00003651720000 -0.00001239350000 0.00000611470000 -0.00001247610000 0.00002006910000 -0.00002790890000 0.00006123610000 -0.00008405830000 0.00020866660000 -0.00038993510000 -0.00497075610000
0.00049008710000 -0.00023008710000 0.00012886180000 -0.00004374030000 0.00002157010000 -0.00004398220000 0.00007143290000 -0.00010074300000 0.00019419730000 -0.00037357590000 0.00040265420000 -0.00150067350000 0.01617263960000
0.00157523320000 -0.00074192730000 0.00041573100000 -0.00014112910000 0.00006966200000 -0.00014221220000 0.00022677600000 -0.00031163330000 0.00076256610000 -0.00074085660000 0.00332045920000 -0.00354504430000 -0.01005392800000
0.00492826830000 -0.00233581430000 0.00131043360000 -0.00044499280000 0.00021931950000 -0.00044675520000 0.00073451820000 -0.00105281820000 0.00170593830000 -0.00478830600000 0.00038347540000 -0.02138052310000 0.05307639850000
0.01500874810000 -0.00717600500000 0.00403224250000 -0.00136983470000 0.00067663480000 -0.00138253670000 0.00217350630000 -0.00293375690000 0.00842175790000 -0.00390127890000 0.04669607150000 -0.02622574180000 0.07405491010000
0.04354982830000 -0.02120267330000 0.01195374950000 -0.00406408990000 0.00200179480000 -0.00407102610000 0.00678948360000 -0.00991722680000 0.01289959680000 -0.05486860280000 -0.02903790750000 -0.26837634230000 0.41241191390000
0.11399732800000 -0.05716378440000 0.03241326020000 -0.01103735080000 0.00545641940000 -0.01115439050000 0.01726761580000 -0.02293034390000 0.07741904260000 -0.00554621960000 0.51376923010000 -0.15848654920000 1.72755554040000
0.24444619370000 -0.12875701650000 0.07371360660000 -0.02516013550000 0.01238389570000 -0.02513130980000 0.04287249430000 -0.06439601670000 0.05485821390000 -0.44659221010000 -0.54899486510000 -2.07794695980000 -5.44125229050000
0.37240225490000 -0.20585789780000 0.11919403580000 -0.04081506790000 0.02024056600000 -0.04160597270000 0.06116402180000 -0.07507710670000 0.39614078110000 0.36399782210000 2.99073763150000 6.26157200910000 7.40098722080000
0.31127649000000 -0.12726525140000 0.06558916840000 -0.02164501420000 0.01046420780000 -0.02124107150000 0.04992549180000 -0.09111994720000 -0.44508627520000 -1.81329100240000 -7.99873913600000 -8.37543137070000 -6.95214204950000
0.09226236940000 0.25983838770000 -0.21528822960000 0.08078555880000 -0.03954952140000 0.07690084760000 -0.15399926680000 0.28474174810000 0.44252853940000 6.70194230440000 10.88490689010000 7.64239524590000 5.33977860780000
-0.00904374610000 0.55687905800000 -0.49540491590000 0.19054826130000 -0.09635169540000 0.20680929450000 -0.31777697510000 0.42120208930000 -3.55864191670000 -1.089142107500e1 -9.84563622940000 -5.61902075350000 -3.64689581870000
-0.00672308960000 0.27694228210000 -0.05420939750000 -0.00725228100000 0.00566520780000 0.00289481380000 -0.14553716330000 0.19534172850000 8.16081505630000 10.80993670860000 6.86147648660000 3.59859480800000 2.28676679510000
0.00151635920000 0.05459358260000 0.63484723500000 -0.35152777270000 0.17951917920000 -0.42114352450000 1.57820417380000 -3.58699855300000 -9.45902798280000 -7.81779793180000 -4.01246990200000 -2.07061816560000 -1.31810354910000
0.00172935160000 0.02334681890000 0.48140406310000 -0.30527540530000 0.18356472800000 -0.55345598630000 -0.90961542370000 6.39580608780000 7.15740481930000 4.55233318700000 2.06641770570000 1.07764264830000 0.69167164900000
0.00022253160000 0.00231191210000 0.06223943420000 0.33863341010000 -0.27302009980000 1.49289946920000 -1.79268215200000 -6.04669469630000 -4.09659775350000 -2.24861915400000 -0.95898763210000 -0.50665620020000 -0.32768150370000
-0.00001734140000 0.00056893260000 -0.00006324460000 0.67545622570000 -0.50586499390000 -0.10653312710000 3.17484035210000 3.94881045880000 1.93863504620000 0.97075461770000 0.40416800810000 0.21518187000000 0.13986662830000
-0.00000837970000 -0.00004973600000 -0.00102905190000 0.22769007590000 0.23354901350000 -1.63504778350000 -2.56277245570000 -2.04010179150000 -0.79841111300000 -0.37848658460000 -0.15639550550000 -0.08354649230000 -0.05444563090000
0.00000010660000 0.00003888240000 0.00010976050000 0.00388395910000 0.91624898980000 1.22848179000000 1.10316962740000 0.71706045790000 0.24427198480000 0.11297456210000 0.04654778000000 0.02489699420000 0.01624141460000
* d-type functions
15 13
7283.23696360
2043.50796770
726.69932794
303.76112589
140.80321755
69.26017399
34.99197171
17.72470435
8.83622427
4.26752224
1.96514551
0.84665938
0.33292937
0.11554730
0.04010213
0.00036693770000 -0.00018958320000 0.00004434970000 -0.00004523380000 0.00009601280000 -0.00012169640000 0.00012048120000 -0.00013840840000 0.00054161800000 -0.00016432490000 0.00388194560000 -0.00485912990000 0.03880306930000
0.00281913290000 -0.00146434170000 0.00034254370000 -0.00035037390000 0.00073380500000 -0.00095117520000 0.00103558190000 -0.00131566310000 0.00154330290000 -0.00905030650000 -0.01326092150000 0.08092079730000 0.08520519970000
0.01627406070000 -0.00850427520000 0.00199357560000 -0.00203449850000 0.00432018360000 -0.00548764650000 0.00546747490000 -0.00634522150000 0.02388161870000 -0.01025632830000 0.16039642340000 -0.14223645120000 1.74406276760000
0.06454387900000 -0.03421599460000 0.00803479030000 -0.00822506950000 0.01726266840000 -0.02241636020000 0.02438287290000 -0.03080429130000 0.03959960260000 -0.21958310410000 -0.20933892510000 2.39125949610000 -2.77877069110000
0.17957184880000 -0.09689750340000 0.02285246600000 -0.02334358990000 0.04973048090000 -0.06309421400000 0.06222337590000 -0.07100407340000 0.30241017260000 -0.14531054210000 2.56801412220000 -4.19024517860000 2.76141142190000
0.33708515580000 -0.18053702320000 0.04247154370000 -0.04352943410000 0.09100181430000 -0.11940811820000 0.13403015090000 -0.17157867120000 0.06234861230000 -1.58465504860000 -5.23994524360000 4.20859109910000 -2.22668181570000
0.38349067580000 -0.17161628660000 0.03864241730000 -0.03878795930000 0.08351747030000 -0.10549681070000 0.09886509160000 -0.14801786720000 0.81236964360000 4.46559587930000 5.66179289430000 -3.18736959400000 1.56339396860000
0.19821438850000 0.11612720510000 -0.04046659940000 0.04429856920000 -0.11871854680000 0.18880359730000 -0.21671721580000 0.38753352310000 -3.48622879250000 -5.25950548530000 -4.26080177970000 2.03558370970000 -0.97952232570000
0.03810069590000 0.46533646620000 -0.13474454640000 0.14429988400000 -0.32640851020000 0.52712846380000 -0.73677500550000 1.13015271380000 4.84222378130000 4.00186224360000 2.55443264680000 -1.15281565280000 0.55476115610000
0.00813169360000 0.43417530400000 -0.11535171090000 0.10439658850000 -0.14037835460000 -0.27041490330000 1.11518258960000 -3.04140732460000 -3.89974458640000 -2.37150015650000 -1.32130377430000 0.59220521340000 -0.28645413980000
0.00196552720000 0.13118121040000 0.11036270140000 -0.16330803100000 0.71045917820000 -0.98836533110000 0.02670815250000 3.42869422090000 2.26547140300000 1.20177431930000 0.61696779010000 -0.27880302820000 0.13555318780000
0.00018899670000 0.00695060380000 0.38646318500000 -0.46523164900000 0.33503866780000 1.08930460000000 -1.27089444180000 -2.56470879630000 -1.07899782650000 -0.54266606810000 -0.26526531880000 0.12080450670000 -0.05893832950000
-0.00001938110000 0.00083691440000 0.48367435140000 -0.10665310550000 -0.90590466300000 -0.09163374010000 1.64457796660000 1.50098024710000 0.45402632950000 0.22330080360000 0.10582265640000 -0.04836441430000 0.02363625690000
0.00000751920000 -0.00024145870000 0.26084534610000 0.71409935820000 0.12198531100000 -0.79805615040000 -1.41949640400000 -0.77847975280000 -0.17942265510000 -0.08733920070000 -0.04034076690000 0.01844233800000 -0.00901687370000
-0.00000278710000 0.00008447490000 0.01310920450000 0.30199568670000 0.54482169620000 0.86306640090000 0.84911994140000 0.32828266100000 0.06024491640000 0.02922973080000 0.01319388630000 -0.00602233830000 0.00294378440000
* f-type functions
10 10
439.63789410
150.45427208
63.65156661
29.76620372
14.43997733
7.02143870
3.33982537
1.50272361
0.60113833
0.24047489
0.00130169940000 -0.00061818490000 0.00154704050000 -0.00180089360000 0.00228795740000 -0.00502479870000 0.01222585790000 -0.04889920430000 0.05881489250000 -1.29329167440000
0.01129360820000 -0.00528139100000 0.01378414340000 -0.01643700340000 0.01915388990000 -0.03046286740000 0.07662710620000 -0.01461036460000 1.53635292320000 1.31253084250000
0.04977789430000 -0.02369024300000 0.05987400100000 -0.06991055350000 0.08775291710000 -0.19369078110000 0.49214776900000 -1.66330759330000 -2.09396641570000 -1.11615016350000
0.14263461370000 -0.06744996740000 0.17853138400000 -0.21790507200000 0.26116103070000 -0.47417992310000 0.74741586820000 3.02004767540000 1.83852711520000 0.83947776370000
0.27438206390000 -0.12855377790000 0.31026067760000 -0.33357399640000 0.34863494430000 -0.08080223210000 -2.39278868820000 -3.01415627650000 -1.28666655280000 -0.55721562280000
0.34917857870000 -0.12332151730000 0.18103436630000 0.10653782000000 -0.66091554800000 1.69544951620000 2.69360618640000 2.15680041130000 0.76312629340000 0.32635643310000
0.31436059650000 -0.03782472820000 -0.30450150330000 0.73515587230000 -0.43556018760000 -2.35949999610000 -1.93808770720000 -1.21637245800000 -0.38931253350000 -0.16725105020000
0.18551136690000 0.21293622640000 -0.55294779130000 -0.24562458310000 1.46655494050000 1.78694406060000 1.03257893530000 0.56167489420000 0.17010607150000 0.07379873300000
0.05306733060000 0.43999101670000 -0.03068732550000 -0.85827503520000 -1.47152530480000 -0.96787523720000 -0.45378862990000 -0.22669048600000 -0.06641935830000 -0.02905820450000
0.00242496090000 0.51734701750000 0.60284762810000 0.82573725950000 0.76289015410000 0.37243953210000 0.15811037140000 0.07611865510000 0.02196050760000 0.00964980000000
* g-type functions
4 4
2.16819360
1.04190306
0.46747192
0.19136982
0.54323312290000 -0.97011415550000 0.94415340350000 -0.57306729550000
0.20779441720000 0.43036256610000 -1.40036887720000 1.52526093650000
0.43811407790000 0.25746623580000 0.32181295380000 -1.81167974030000
0.11587153530000 0.43867172370000 0.59274390280000 1.12288134450000
* h-type functions
3 3
1.65529184
0.79397283
0.33494903
0.61784245330000 -1.00674108050000 0.74652428190000
0.26448546080000 0.62990310110000 -1.51444632510000
0.38648989070000 0.47686189360000 1.11835241580000
/Re.ANO-R.Zobel.25s20p15d10f4g3h.16s13p13d10f4g3h.
J.P. Zobel, P.-O. Widmark, V. Veryazov. J. Chem. Theory Comput. 16 (2020) 278-294. doi:10.1021/acs.jctc.9b00873
RHENIUM (25s,20p,15d,10f,4g,3h) -> [16s,13p,13d,10f,4g,3h]
75.0 5
* s-type functions
25 16
59568587.09400000
14456212.70200000
4010692.33180000
1240559.37160000
419126.98251000
152143.79873000
58575.12674700
23679.60800200
9975.56234320
4354.22895350
1960.56300140
907.33791474
430.13250446
208.10067958
102.28371768
50.77153669
25.25181518
12.45444492
6.01040358
2.79041804
1.22032383
0.48995349
0.17509963
0.05369695
0.01646698
0.00034033800000 -0.00034913100000 0.00008733520000 -0.00004509600000 0.00001699410000 -0.00000512730000 0.00000795470000 -0.00001789090000 0.00001854290000 -0.00002557630000 0.00004900370000 -0.00009156370000 0.00010486890000 -0.00047475080000 0.00890825280000 -0.01844570120000
0.00091014480000 -0.00093419760000 0.00023386820000 -0.00012075560000 0.00004550860000 -0.00001373140000 0.00002130430000 -0.00004795580000 0.00004981140000 -0.00006858540000 0.00012889450000 -0.00025398370000 0.00021845750000 -0.00088504140000 -0.02329339160000 0.05955629760000
0.00194684830000 -0.00200047890000 0.00050144440000 -0.00025890740000 0.00009756570000 -0.00002943550000 0.00004566540000 -0.00010265070000 0.00010623250000 -0.00014670190000 0.00028483260000 -0.00051199410000 0.00048416570000 -0.00291536910000 0.07167973390000 -0.06257859950000
0.00381070130000 -0.00392453580000 0.00098662360000 -0.00050936670000 0.00019198260000 -0.00005793300000 0.00008989010000 -0.00020256370000 0.00021103090000 -0.00028992030000 0.00053061040000 -0.00112333170000 0.00112442950000 -0.00288738080000 -0.23558394050000 0.10630445150000
0.00732277530000 -0.00757181130000 0.00191245120000 -0.00098721210000 0.00037199240000 -0.00011221280000 0.00017406330000 -0.00039050510000 0.00040194830000 -0.00055748610000 0.00113382860000 -0.00177010070000 0.00161999570000 -0.01516606210000 0.62164010360000 -0.25878376360000
0.01387484000000 -0.01444301120000 0.00367936050000 -0.00189873710000 0.00071587400000 -0.00021608920000 0.00033536690000 -0.00075840580000 0.00079749790000 -0.00108793580000 0.00182374120000 -0.00480178980000 0.00325005120000 -0.01012557480000 -1.23583454400000 0.20532881930000
0.02641822600000 -0.02779908650000 0.00716855740000 -0.00369829290000 0.00139331470000 -0.00042013050000 0.00065151520000 -0.00145360640000 0.00147407690000 -0.00206950920000 0.00473247010000 -0.00478787050000 0.01194468790000 -0.04538286870000 1.47498618340000 0.04103689390000
0.05000250940000 -0.05353537300000 0.01410411140000 -0.00727109590000 0.00274355090000 -0.00082872240000 0.00128681050000 -0.00293440740000 0.00315074500000 -0.00423021840000 0.00561981610000 -0.02376050340000 -0.00940844230000 -0.07405709880000 -1.00820677560000 0.76034525360000
0.09212301720000 -0.10164419860000 0.02764807510000 -0.01424833700000 0.00536684840000 -0.00161702710000 0.00250630460000 -0.00552637680000 0.00542850770000 -0.00782801350000 0.02210433820000 -0.00409767360000 0.10803068630000 -0.11962735040000 0.55131994190000 1.52251600160000
0.15535196960000 -0.18112988610000 0.05235355250000 -0.02694433650000 0.01018694770000 -0.00308150100000 0.00478963350000 -0.01111185710000 0.01242026110000 -0.01617389770000 0.01053134410000 -0.12839681310000 -0.20563507550000 -0.37428572730000 -3.53976375490000 -6.15476614820000
0.21244624820000 -0.27584753950000 0.08777035770000 -0.04523401240000 0.01704166370000 -0.00512523190000 0.00793486050000 -0.01697274430000 0.01526663370000 -0.02374963050000 0.10109668080000 0.09789377320000 0.82839922390000 -0.27327084920000 10.53586438870000 7.76615041930000
0.18715745060000 -0.28373045360000 0.10297704510000 -0.05314499330000 0.02026680080000 -0.00617018400000 0.00963110650000 -0.02410546860000 0.03140085360000 -0.03637153350000 -0.07696245290000 -0.62510453180000 -1.79416624280000 -0.83778175000000 -1.708905065950e1 -5.94894895300000
0.10909267210000 -0.04638456120000 -0.01791437150000 0.01019964310000 -0.00439994230000 0.00146328870000 -0.00241676670000 0.01171084030000 -0.02867464160000 0.02236202400000 0.32578996020000 1.31754131110000 5.45578466240000 6.83187790370000 19.43086956610000 3.48827083870000
0.18497628810000 0.38170376850000 -0.39389615930000 0.22864567750000 -0.08877910620000 0.02660924030000 -0.04117795780000 0.07902256330000 -0.04570863010000 0.10918421680000 -1.12829690230000 -2.29739753160000 -1.426378438240e1 -1.127815477810e1 -1.752114583020e1 -1.92022133980000
0.20118092320000 0.44318284070000 -0.63647287600000 0.40846076060000 -0.16717038310000 0.05158498160000 -0.08123623800000 0.22042538990000 -0.32515700730000 0.35498097600000 1.37609200040000 7.96208474960000 22.32741543710000 10.27864334840000 13.51501370700000 1.18544176620000
0.06487486100000 0.13228750540000 0.14894429560000 -0.15608751640000 0.07544082110000 -0.02484722950000 0.04132020040000 -0.17900182830000 0.41331900450000 -0.39418128460000 -3.52715211070000 -1.713068424050e1 -2.293483021690e1 -6.90435254690000 -9.40026418040000 -0.82162756390000
0.04345122560000 0.05745788450000 0.85705040590000 -1.14334525110000 0.55134008720000 -0.16861057940000 0.26568181450000 -0.48241003580000 0.15029458340000 -0.66675235810000 10.45650141360000 21.29966258930000 17.48144515910000 4.07151436850000 6.06123582290000 0.56762774260000
0.01197656250000 0.01603605900000 0.26558921180000 -0.11906462140000 0.04725172180000 -0.02027069770000 0.02666965470000 -0.27677086530000 0.91031310590000 -0.32395312870000 -1.717174199200e1 -1.760631747680e1 -1.086321994810e1 -2.30190199420000 -3.63351263160000 -0.36110418950000
0.00162353550000 0.00248421450000 0.05972612950000 1.08727913960000 -0.92727820660000 0.32512640370000 -0.54444906560000 1.95623558190000 -3.95359499580000 4.73036028480000 17.26631012940000 10.84670622300000 5.85897712400000 1.25030824910000 2.00311338660000 0.20594892060000
0.00012889810000 0.00037156800000 0.01724927440000 0.35309600060000 -0.40914566830000 0.13776811090000 -0.21324766700000 -0.75578892640000 5.28619159610000 -8.41165321170000 -1.207363579150e1 -5.44028525460000 -2.84446799130000 -0.62932355990000 -1.00370705440000 -0.10485132570000
0.00009707820000 0.00011376510000 -0.00023928930000 -0.00672897010000 1.01080556350000 -0.46611406790000 1.12802286170000 -2.76644413830000 -3.23217650040000 8.31238983280000 6.54551849550000 2.37801534420000 1.26259527940000 0.28688046110000 0.45506172560000 0.04786119440000
-0.00004253650000 -0.00004802770000 0.00010933330000 0.00547596440000 0.48582016760000 -0.47808760570000 0.09764453920000 3.96954379940000 0.21795261760000 -5.98862786860000 -3.00940433600000 -0.94959319840000 -0.51537959890000 -0.11856833380000 -0.18763595420000 -0.01979031760000
0.00001674670000 0.00001953200000 -0.00003198980000 -0.00181899820000 -0.01178044460000 0.62733642580000 -1.83440145970000 -2.18574194990000 1.65715026760000 3.72013904070000 1.26159132630000 0.35515863530000 0.19522392260000 0.04511369800000 0.07135077300000 0.00753420460000
-0.00000619700000 -0.00000721870000 0.00000434540000 0.00057601650000 0.00691436000000 0.72067598720000 1.12620594570000 0.18107284570000 -2.25776093500000 -2.29588608120000 -0.52303337630000 -0.12769985760000 -0.07054673580000 -0.01632594450000 -0.02581668610000 -0.00272728680000
0.00000180120000 0.00000210830000 -0.00000224730000 -0.00018270360000 -0.00219514360000 -0.01207755810000 0.31124305480000 0.51601774540000 1.51080936140000 1.10414891240000 0.18128117200000 0.03710722820000 0.02051645330000 0.00475037030000 0.00751065260000 0.00079353670000
* p-type functions
20 13
5855999.83750000
955690.35154000
205795.49066000
55193.62979600
17577.84251300
6394.42707120
2575.54864750
1120.64724690
516.67128916
248.61485380
123.34568853
62.44639862
31.94880526
16.34964532
8.26924263
4.07256961
1.91642986
0.84108303
0.33390298
0.13255671
0.00003701090000 -0.00001922380000 0.00000961120000 -0.00000348100000 0.00000207440000 -0.00000388180000 0.00000526060000 -0.00000750670000 0.00001500010000 -0.00002659840000 0.00010224780000 -0.00020507210000 0.00310307130000
0.00013816300000 -0.00007187700000 0.00003594840000 -0.00001302090000 0.00000776680000 -0.00001455450000 0.00001953680000 -0.00002676310000 0.00006040360000 -0.00008786060000 0.00045769250000 0.00026506800000 -0.01303595540000
0.00048269340000 -0.00025171370000 0.00012597170000 -0.00004563540000 0.00002716590000 -0.00005075900000 0.00006956250000 -0.00010379340000 0.00017978780000 -0.00040109320000 0.00134506030000 -0.00271779850000 0.05141201590000
0.00153877190000 -0.00080492910000 0.00040310970000 -0.00014605930000 0.00008729070000 -0.00016403420000 0.00021613500000 -0.00027192730000 0.00077083260000 -0.00071834920000 0.00551474010000 0.00574067160000 -0.14534492900000
0.00477231070000 -0.00251114930000 0.00125949320000 -0.00045650610000 0.00027107230000 -0.00050464370000 0.00071003540000 -0.00116373220000 0.00140479120000 -0.00522496550000 0.01465957750000 -0.03224323790000 0.45188194840000
0.01443259330000 -0.00765785340000 0.00384875890000 -0.00139581520000 0.00083682880000 -0.00157993120000 0.00201962140000 -0.00216826440000 0.00881287570000 -0.00287272370000 0.05954644020000 0.04123799170000 -0.93091611530000
0.04171934720000 -0.02251363530000 0.01136249950000 -0.00412441340000 0.00244224130000 -0.00452750610000 0.00657246080000 -0.01185752230000 0.00856861520000 -0.05993642460000 0.16281640620000 -0.32009892170000 1.90191561410000
0.10929519900000 -0.06064872540000 0.03082930020000 -0.01121268230000 0.00674735310000 -0.01281099710000 0.01587333550000 -0.01386354510000 0.08370995170000 0.00826843520000 0.49770197060000 0.45971862680000 -0.04788789600000
0.23564841470000 -0.13697766040000 0.07045784530000 -0.02569330870000 0.01515652760000 -0.02793417220000 0.04251832960000 -0.08671134480000 0.01661424340000 -0.49475719360000 0.91190172020000 -2.26182093400000 -3.55142523590000
0.36296957100000 -0.22120118010000 0.11537169640000 -0.04223439790000 0.02571846830000 -0.04964882880000 0.05460333740000 -0.00404712960000 0.47869544260000 0.42762756520000 -1.81485974220000 7.01111003920000 5.56978276010000
0.31094262710000 -0.14554756410000 0.06731003010000 -0.02378598340000 0.01282403780000 -0.02008255300000 0.05832968250000 -0.26616258950000 -0.66738847760000 -1.91697002210000 -0.52556683240000 -1.183757196960e1 -5.31826840210000
0.10665041230000 0.25163442380000 -0.20104970010000 0.08082397320000 -0.04616493150000 0.08114511980000 -0.19753242310000 0.74299863380000 1.06255586610000 6.81323236750000 3.14283586930000 13.11376107470000 4.01037069170000
0.01352240840000 0.56970434590000 -0.48108375330000 0.19737289230000 -0.12700162370000 0.26308895950000 -0.20408524070000 -0.65550069800000 -4.60145487230000 -1.078523602980e1 -3.67757013590000 -1.083012010200e1 -2.67711685990000
0.00323217370000 0.28687111890000 -0.06353435490000 0.00047782500000 0.01743558430000 -0.09181688440000 -0.12888166740000 1.94875084060000 9.10187427050000 10.29249084050000 2.75444778670000 7.27610310290000 1.65799906290000
-0.00017771630000 0.03957129200000 0.62866989850000 -0.35886171830000 0.20917117680000 -0.36215847920000 1.20665843750000 -5.49082103440000 -9.71124800720000 -6.99538956740000 -1.61954299140000 -4.21241379740000 -0.95505484330000
-0.00018451920000 0.01063458730000 0.49186177600000 -0.32404506330000 0.25979455590000 -0.63674627610000 -0.36055820800000 7.75870505400000 6.73613266920000 3.75800303910000 0.82143891350000 2.17321967170000 0.50357975360000
-0.00005137350000 0.00050967210000 0.06703799780000 0.34420621070000 -0.44627498690000 1.72124317930000 -2.24349007040000 -6.63596936840000 -3.47319558060000 -1.72256260070000 -0.37568347610000 -1.01292210760000 -0.23959988320000
0.00000939730000 0.00029250510000 0.00206128290000 0.68204355200000 -0.46871558150000 -0.45734994530000 3.54198650210000 4.04088189870000 1.47727933690000 0.70892499420000 0.15684134680000 0.42772768110000 0.10238021190000
-0.00000312590000 -0.00012102550000 -0.00026007340000 0.22121368590000 0.37577848990000 -1.39405667900000 -2.88192999440000 -1.97753611760000 -0.56219688980000 -0.26986330490000 -0.06032926200000 -0.16535832170000 -0.03978361940000
0.00000102540000 0.00003535320000 0.00010199040000 0.00328248990000 0.80073008580000 1.22602219450000 1.26394607050000 0.67227982910000 0.16550630270000 0.07968479570000 0.01788665500000 0.04910927470000 0.01183561650000
* d-type functions
15 13
7707.98767970
2150.74612820
763.73959913
319.27664953
148.03604548
72.82272314
36.79987331
18.66381232
9.33660044
4.54035919
2.11472666
0.92630543
0.37225461
0.13261435
0.04724338
0.00035965250000 -0.00018461060000 0.00004734240000 -0.00005624500000 0.00006960840000 -0.00008456420000 0.00005402020000 -0.00007077260000 0.00073491680000 -0.00016566540000 0.00405009740000 -0.00218851550000 0.07571179590000
0.00275701370000 -0.00142245790000 0.00036480280000 -0.00042121560000 0.00047029970000 -0.00066747850000 0.00068344320000 -0.00224658670000 0.00210885840000 0.01160591560000 0.01170612280000 0.08145404250000 -0.24192498430000
0.01586483740000 -0.00823670050000 0.00211652160000 -0.00251156490000 0.00309289510000 -0.00377069250000 0.00247084480000 -0.00362739460000 0.03280989330000 -0.00156887020000 0.20880381900000 0.00769258370000 2.12337312770000
0.06297364570000 -0.03315856420000 0.00853511400000 -0.00985629780000 0.01100240840000 -0.01557294670000 0.01590083780000 -0.05222319510000 0.05622171370000 0.28774211400000 0.47313381340000 1.98408291830000 -3.39172906930000
0.17638282750000 -0.09458116490000 0.02444594560000 -0.02910918010000 0.03618581810000 -0.04353670070000 0.02689311060000 -0.03150589580000 0.41597542250000 -0.15827840750000 1.11576141090000 -4.49860222520000 3.50351444480000
0.33477806740000 -0.17833521240000 0.04599798860000 -0.05265614240000 0.05679774720000 -0.08706460610000 0.10075119180000 -0.36409638990000 0.03276820370000 2.01252414580000 -3.51945691810000 5.43822685910000 -2.87459141290000
0.38622892200000 -0.17333418030000 0.04293963000000 -0.05440412590000 0.08132740650000 -0.08109833750000 -0.00485005360000 0.32286811910000 0.73370838100000 -4.98759863160000 4.07999635770000 -4.57534950230000 2.02794730110000
0.20268859430000 0.10927511800000 -0.04189689020000 0.05766279830000 -0.09835840110000 0.09299509140000 0.04404951920000 -0.60819437110000 -3.34540932050000 5.88207281770000 -3.01443404510000 3.02048962920000 -1.27896308330000
0.03736566570000 0.46137772060000 -0.14586601250000 0.16625633460000 -0.15404063430000 0.35149588190000 -0.59377916310000 2.62405266980000 4.42101648680000 -4.45791837540000 1.71722935190000 -1.70073371900000 0.73413372040000
0.00581154310000 0.43820158520000 -0.12768781790000 0.19085256620000 -0.40102785580000 0.31257741960000 0.43447654770000 -4.19566565810000 -3.28193298670000 2.52600627840000 -0.85059881750000 0.86562359590000 -0.38622171990000
0.00123552080000 0.13539063320000 0.11581486910000 -0.28536269780000 0.89069257530000 -1.76813890090000 0.72924084380000 3.64488061290000 1.78673279950000 -1.19900459260000 0.39158521290000 -0.40890576110000 0.18657342960000
0.00015930390000 0.00748972770000 0.41128990790000 -0.61145091770000 0.20645385940000 1.86723839540000 -1.63564817390000 -2.27704859770000 -0.82634441000000 0.51476215600000 -0.16971376410000 0.17945251770000 -0.08270333690000
-0.00002913000000 0.00076638290000 0.48100497590000 0.19396991240000 -1.10831126500000 -0.74401403380000 1.84192640210000 1.22427085460000 0.34321102260000 -0.20590339940000 0.06862327890000 -0.07284270170000 0.03368504580000
0.00001050780000 -0.00027330280000 0.22479309520000 0.66940267290000 0.57368557720000 -0.37064078100000 -1.70352285040000 -0.62893623190000 -0.13485981530000 0.07884962140000 -0.02639897260000 0.02805009430000 -0.01298432580000
-0.00000383080000 0.00008306390000 0.00434741200000 0.14497287380000 0.38640202420000 0.72372851740000 1.14038633740000 0.27023203000000 0.04531879950000 -0.02568338430000 0.00860237680000 -0.00914756690000 0.00423568490000
* f-type functions
10 10
477.26668982
163.30217812
69.16010062
32.40593820
15.77406845
7.71366667
3.70047838
1.68376456
0.68198313
0.27622686
0.00119706660000 -0.00043331670000 0.00051034380000 -0.00003090820000 0.00161256790000 -0.00822019330000 0.00239509520000 -0.04866725690000 0.06180587590000 -1.29370642620000
0.01047942210000 -0.00358564340000 0.00465443590000 -0.00702655300000 -0.01836795410000 -0.00648258460000 0.18544468260000 -0.18366646920000 1.51371435080000 1.32499805620000
0.04707150120000 -0.01689595850000 0.02017530560000 -0.00549536920000 0.04316100390000 -0.24547570280000 0.18694061850000 -1.48797419360000 -2.27940655590000 -1.15102682500000
0.13727039240000 -0.04721704310000 0.06116998300000 -0.09296376560000 -0.24894297200000 -0.23271354960000 1.34258094740000 2.75041028980000 2.07376933340000 0.87542716440000
0.27020482410000 -0.10178242130000 0.13194578630000 -0.04139150330000 0.32870987850000 -1.15230963460000 -2.73379811280000 -2.58799695220000 -1.40611949360000 -0.57709509060000
0.35026066480000 -0.11826257490000 0.18304360630000 -0.46409020420000 -1.55637296430000 2.20470626290000 2.42822825420000 1.68770063940000 0.78835753830000 0.33412987910000
0.31829921000000 -0.11800971120000 0.15799202670000 0.35258057070000 2.76121575380000 -1.45202070310000 -1.38391551450000 -0.85977373810000 -0.38855152540000 -0.17114119600000
0.18564584620000 0.22841251030000 -0.77845629270000 0.94229574180000 -2.28768447170000 0.63708633120000 0.60198298280000 0.36716900940000 0.16863929630000 0.07598704380000
0.05047182370000 0.51972576180000 -0.22823715960000 -1.54492797070000 1.30274707370000 -0.25366126630000 -0.23100049230000 -0.14171807900000 -0.06607365180000 -0.03004752490000
0.00189822180000 0.44068410680000 0.84001937650000 0.96388580590000 -0.53306520700000 0.08413360820000 0.07589031270000 0.04663650480000 0.02186196780000 0.00996904840000
* g-type functions
4 4
2.10966704
1.02835834
0.48181128
0.20405483
0.26661370510000 -0.64101765230000 1.01866575360000 -1.04864181120000
0.52414632280000 -0.19182449030000 -0.99272563710000 1.97890833170000
0.31421755180000 0.58750300830000 -0.16733890390000 -1.95353715060000
0.12472506770000 0.38661465730000 0.79991709070000 1.07942799970000
* h-type functions
3 3
2.00968225
1.00560632
0.41918288
0.42675776020000 -0.76840377950000 1.16325166130000
0.50727964940000 0.15087210520000 -1.63517087080000
0.27400009060000 0.78141905780000 0.96681107430000
/Os.ANO-R.Zobel.25s20p15d10f4g3h.16s13p13d10f4g3h.
J.P. Zobel, P.-O. Widmark, V. Veryazov. J. Chem. Theory Comput. 16 (2020) 278-294. doi:10.1021/acs.jctc.9b00873
OSMIUM (25s,20p,15d,10f,4g,3h) -> [16s,13p,13d,10f,4g,3h]
76.0 5
* s-type functions
25 16
59236594.26600000
14461633.76000000
4038870.72020000
1257522.12050000
427424.77660000
155954.80042000
60287.29691500
24444.07697600
10317.39796800
4508.07886590
2030.56672390
939.68876602
445.38989143
215.47686451
105.94958246
52.64356612
26.22867544
12.96920253
6.27934201
2.92636453
1.28484645
0.51770047
0.18546440
0.05689256
0.01745221
0.00036061480000 -0.00036882420000 0.00009701790000 -0.00004983970000 0.00001840530000 -0.00000558380000 0.00000917700000 -0.00001855860000 0.00001863960000 -0.00002800520000 0.00005231550000 -0.00009717610000 0.00010873250000 -0.00053326720000 0.00340667950000 -0.01825606480000
0.00096043240000 -0.00098287760000 0.00025873820000 -0.00013291800000 0.00004908860000 -0.00001489350000 0.00002447920000 -0.00004954450000 0.00004986360000 -0.00007482400000 0.00013702450000 -0.00026957300000 0.00035252180000 -0.00073306260000 -0.01863972400000 0.07121946930000
0.00203878600000 -0.00208875730000 0.00055055720000 -0.00028283160000 0.00010444560000 -0.00003168540000 0.00005207310000 -0.00010525030000 0.00010555900000 -0.00015873380000 0.00030062190000 -0.00053616030000 0.00063583220000 -0.00415664370000 0.06377255820000 -0.14470494500000
0.00395995930000 -0.00406633000000 0.00107490140000 -0.00055220000000 0.00020396280000 -0.00006188830000 0.00010173050000 -0.00020611950000 0.00020803880000 -0.00031168380000 0.00055536570000 -0.00117901410000 0.00124864200000 -0.00395087930000 -0.13664772550000 0.36753248440000
0.00755263480000 -0.00778695150000 0.00206787290000 -0.00106231590000 0.00039228060000 -0.00011898770000 0.00019552040000 -0.00039442090000 0.00039354110000 -0.00059363430000 0.00117947260000 -0.00181157960000 0.00318399490000 -0.01016601890000 0.22090282270000 -0.92536856820000
0.01420259430000 -0.01474214750000 0.00394772290000 -0.00202805770000 0.00074939990000 -0.00022745800000 0.00037400070000 -0.00076040540000 0.00077432580000 -0.00115431380000 0.00187872910000 -0.00500039920000 0.00207166120000 -0.01680283640000 -0.31294085260000 1.90406001100000
0.02684787410000 -0.02817178880000 0.00763412060000 -0.00392213850000 0.00144816150000 -0.00043908980000 0.00072123630000 -0.00144708240000 0.00142350190000 -0.00216622710000 0.00485775150000 -0.00470577200000 0.01903653770000 -0.05158502530000 0.61270462930000 -2.87283502610000
0.05046705780000 -0.05387968680000 0.01490655040000 -0.00765861450000 0.00283281640000 -0.00086040340000 0.00141566780000 -0.00290192340000 0.00301450610000 -0.00444309930000 0.00569034670000 -0.02464258900000 -0.01375336440000 -0.04626766050000 -0.83703543620000 4.03404812490000
0.09243102900000 -0.10167313800000 0.02901154310000 -0.01491328900000 0.00550616700000 -0.00166822810000 0.00273817970000 -0.00543072190000 0.00518223440000 -0.00804187960000 0.02244081130000 -0.00260101700000 0.12913935270000 -0.17663060770000 1.95672029160000 -1.83644993410000
0.15520155740000 -0.18026517190000 0.05452477120000 -0.02804580810000 0.01040013920000 -0.00316331260000 0.00521182920000 -0.01086545030000 0.01173018170000 -0.01691659040000 0.01033398970000 -0.13318469650000 -0.20105954520000 -0.39172102390000 -2.45016051330000 -4.11960482120000
0.21195389240000 -0.27355497300000 0.09072608470000 -0.04684068990000 0.01730696590000 -0.00523408320000 0.00857647840000 -0.01650805020000 0.01447881750000 -0.02377152700000 0.10202380360000 0.10980495000000 0.87536013750000 -0.08498620120000 4.96249004860000 8.84361918960000
0.18753750290000 -0.28094631710000 0.10556876780000 -0.05477409410000 0.02052145320000 -0.00628199090000 0.01041108380000 -0.02338639040000 0.02927288490000 -0.03884606820000 -0.07923530200000 -0.65349998780000 -1.85250448270000 -1.11014092070000 -1.165744938720e1 -9.73145371630000
0.10990877860000 -0.04659714160000 -0.01801021060000 0.01087622120000 -0.00468106760000 0.00155828260000 -0.00277938140000 0.01160435090000 -0.02654732070000 0.02724503510000 0.33098019090000 1.40038833260000 5.29163023600000 7.22444142360000 17.39259453990000 8.20080008660000
0.18301660330000 0.37388540470000 -0.39712796840000 0.23534634140000 -0.09015963180000 0.02717968520000 -0.04444562330000 0.07690433520000 -0.04447790430000 0.10207559980000 -1.14397748710000 -2.48105880800000 -1.392275722650e1 -1.204421809650e1 -1.797935867790e1 -6.17085825140000
0.19849371990000 0.43231131790000 -0.63764705150000 0.41928760790000 -0.17025878050000 0.05284017140000 -0.08855510080000 0.21517839120000 -0.30371099870000 0.38846178880000 1.41301968790000 8.26225056840000 22.03817183550000 11.40396117910000 14.61176445020000 4.43628952430000
0.06561715400000 0.13536758480000 0.14208372040000 -0.15822964470000 0.07730456800000 -0.02561088440000 0.04603354210000 -0.17574623310000 0.38294962670000 -0.45496948140000 -3.62175370520000 -1.754044979520e1 -2.277899520060e1 -8.03374432000000 -1.025816753630e1 -3.07909712060000
0.04659549070000 0.07192469680000 0.83775227410000 -1.15686305890000 0.55904801910000 -0.17208370130000 0.28665866260000 -0.46835979300000 0.15003767940000 -0.57745698970000 10.67429852920000 21.76708365640000 17.41896636310000 4.92175039200000 6.58027831400000 2.02853358110000
0.01307954890000 0.02059485280000 0.26571574080000 -0.13130255440000 0.05544375350000 -0.02319115120000 0.03456597130000 -0.27859575270000 0.85518637210000 -0.56088604520000 -1.750911406430e1 -1.802119967130e1 -1.084723717990e1 -2.82938076960000 -3.92441488460000 -1.24118681510000
0.00186495260000 0.00282576600000 0.07592046430000 1.08949113390000 -0.95307857920000 0.33746398680000 -0.60828856680000 1.92774262540000 -3.68074892000000 5.21697819680000 17.59918927820000 11.12585241900000 5.86036264960000 1.53718891730000 2.15952719570000 0.69294770000000
0.00018713910000 0.00043770180000 0.02250982550000 0.35651006710000 -0.40844632560000 0.13789179890000 -0.21418657840000 -0.75281103010000 4.77540020210000 -8.99353532430000 -1.228289865090e1 -5.58581409030000 -2.84774398790000 -0.77000369920000 -1.08157416990000 -0.34920491650000
0.00009840560000 0.00011518750000 -0.00035080800000 -0.00704834420000 1.03115050210000 -0.48645339630000 1.27456957240000 -2.71979757530000 -2.64021726190000 8.72215396700000 6.62320021260000 2.43879910840000 1.26310094800000 0.34937923710000 0.48966777060000 0.15846336310000
-0.00004305170000 -0.00005006040000 0.00019195280000 0.00562366700000 0.47106068160000 -0.45532301190000 -0.08704277630000 3.94381722570000 -0.27240793630000 -6.13149348050000 -3.01327403100000 -0.97053817100000 -0.51409954090000 -0.14373509220000 -0.20123882180000 -0.06518108940000
0.00001690700000 0.00002021450000 -0.00005872580000 -0.00186178390000 -0.00986319370000 0.61598934830000 -1.73093139470000 -2.19169360760000 1.96442749310000 3.67202584920000 1.24111298380000 0.36124845500000 0.19386448270000 0.05440975790000 0.07616105100000 0.02467748110000
-0.00000624040000 -0.00000749830000 0.00001390380000 0.00059161930000 0.00789374920000 0.71827910080000 1.10069750740000 0.14295423750000 -2.41763317690000 -2.16190808370000 -0.50003344580000 -0.12932609370000 -0.06977174470000 -0.01960527160000 -0.02744190330000 -0.00889286860000
0.00000181130000 0.00000218110000 -0.00000504250000 -0.00018723380000 -0.00209246420000 -0.00405944330000 0.30072112640000 0.57483226410000 1.56730812350000 0.99933642020000 0.16730962350000 0.03751575910000 0.02026770520000 0.00569713600000 0.00797379370000 0.00258408830000
* p-type functions
20 13
6206048.73900000
1012383.50360000
218149.23509000
58550.81081300
18651.03485000
6780.71161150
2727.19172580
1184.15073840
544.64327234
261.47911089
129.50701687
65.51815481
33.53930624
17.19798567
8.72763343
4.31713427
2.04100059
0.89919411
0.35747873
0.14211730
0.00003731190000 -0.00001973670000 0.00000981180000 -0.00000360950000 0.00000217360000 -0.00000396860000 0.00000541220000 -0.00000771320000 0.00001522760000 -0.00002802510000 0.00009883420000 -0.00005886890000 0.00500181630000
0.00013943860000 -0.00007387560000 0.00003674000000 -0.00001351700000 0.00000814750000 -0.00001490120000 0.00002013100000 -0.00002754290000 0.00006151190000 -0.00009102660000 0.00043543210000 0.00080226970000 -0.01900332150000
0.00048357420000 -0.00025680430000 0.00012779880000 -0.00004702540000 0.00002828870000 -0.00005155290000 0.00007108780000 -0.00010592260000 0.00018097090000 -0.00042029400000 0.00126436050000 -0.00080623890000 0.07486059580000
0.00152821560000 -0.00081409580000 0.00040543670000 -0.00014921750000 0.00009011320000 -0.00016537570000 0.00021933280000 -0.00027549110000 0.00077556160000 -0.00072813760000 0.00507118260000 0.00782350610000 -0.21495961940000
0.00469551400000 -0.00251576560000 0.00125486770000 -0.00046197820000 0.00027721760000 -0.00050288920000 0.00071205350000 -0.00116728760000 0.00137189280000 -0.00538542160000 0.01361849240000 0.00230793950000 0.65600008840000
0.01409401720000 -0.00761389300000 0.00380602410000 -0.00140211830000 0.00084945470000 -0.00156794120000 0.00201680310000 -0.00215319200000 0.00878441660000 -0.00278016090000 0.05261694850000 0.03950179370000 -1.18525131270000
0.04057834010000 -0.02228320620000 0.01118687540000 -0.00412443480000 0.00246793740000 -0.00445306440000 0.00650922770000 -0.01177770330000 0.00800527260000 -0.06109270990000 0.14597982240000 0.16491839980000 3.51920839140000
0.10642147460000 -0.06005628300000 0.03037471640000 -0.01122229740000 0.00682446590000 -0.01268197950000 0.01580893990000 -0.01366619930000 0.08350668540000 0.00941879430000 0.44953749540000 0.03041165900000 -4.23804455880000
0.23090990130000 -0.13633726610000 0.06979903680000 -0.02585249740000 0.01541170090000 -0.02760471140000 0.04230707330000 -0.08658565800000 0.01310955160000 -0.50603191510000 0.88146702600000 1.59828064030000 2.63949773130000
0.35992271990000 -0.22285648520000 0.11577203360000 -0.04306115550000 0.02649632630000 -0.05023000890000 0.05579319600000 -0.00463119040000 0.48150254610000 0.45273336320000 -1.35145852180000 -6.28913586300000 -0.86570982980000
0.31445401570000 -0.15331891550000 0.07124520090000 -0.02563604110000 0.01404963520000 -0.02090286820000 0.06001511560000 -0.27254890630000 -0.67958037570000 -1.98335889400000 -1.46286559310000 10.94648146340000 -0.01648811570000
0.11266937250000 0.23985843150000 -0.19472693400000 0.07969305510000 -0.04594181610000 0.07678995820000 -0.19365195560000 0.74918980740000 1.15480528580000 6.92089971790000 4.24271615640000 -1.216269972890e1 0.21631947620000
0.01799158290000 0.56818544830000 -0.48278656710000 0.20171675260000 -0.13128316470000 0.26996019120000 -0.21245548850000 -0.67406406850000 -4.81727009380000 -1.089719045670e1 -4.62722911340000 10.06194353450000 -0.16461648570000
0.00533024570000 0.29552759670000 -0.08151800740000 0.00865816770000 0.01308493620000 -0.09267582830000 -0.13800377240000 2.04085154160000 9.39112104620000 10.38377148340000 3.42032436610000 -6.79042317460000 0.08596357640000
0.00012903530000 0.04267233020000 0.62100449820000 -0.36224202760000 0.21363443870000 -0.34642045880000 1.21351575820000 -5.67530328170000 -9.98120171710000 -7.05835288780000 -2.01757280570000 3.95436814950000 -0.03742027240000
-0.00010496140000 0.01147710910000 0.50375725800000 -0.34140127000000 0.27469498580000 -0.68008534560000 -0.31755817900000 7.95687929830000 6.91721898540000 3.79317196480000 1.02951937220000 -2.04862980560000 0.01481945950000
-0.00005105090000 0.00064427530000 0.07126319140000 0.34732846450000 -0.45141084210000 1.76317972580000 -2.31699366080000 -6.76354896930000 -3.55825546810000 -1.73641575820000 -0.47187822980000 0.95487850430000 -0.00562490580000
0.00001282580000 0.00029271050000 0.00200740370000 0.68731775570000 -0.50211518710000 -0.48960976830000 3.59215106760000 4.08857893860000 1.50490962480000 0.71156591510000 0.19637823890000 -0.40142333110000 0.00208255150000
-0.00000435680000 -0.00012243840000 -0.00018380660000 0.21835503120000 0.43222088430000 -1.38174618300000 -2.90664423690000 -1.98859385260000 -0.56928110220000 -0.26943763700000 -0.07513928770000 0.15428398250000 -0.00075133350000
0.00000140570000 0.00003543770000 0.00008314680000 0.00325691890000 0.76613441040000 1.23908101080000 1.28149479540000 0.67631846640000 0.16729906010000 0.07939103280000 0.02222538680000 -0.04570477750000 0.00021736700000
* d-type functions
15 13
8009.37177560
2226.90907340
789.89372341
330.09578846
152.99184256
75.21139781
37.98075354
19.25764144
9.64013039
4.69720825
2.19500477
0.96544142
0.38943160
0.13890055
0.04954237
0.00036195640000 -0.00018728530000 0.00005016060000 -0.00006019520000 0.00007247300000 -0.00009044610000 0.00005125810000 -0.00012927040000 0.00072867390000 -0.00002413220000 0.00347585330000 -0.00149613570000 0.00616626770000
0.00276764670000 -0.00143987950000 0.00038578990000 -0.00044984120000 0.00049236490000 -0.00075104310000 0.00082589100000 -0.00226631880000 0.00193351070000 0.01140604710000 0.00592138240000 0.07727578380000 0.06522119510000
0.01586758240000 -0.00830488670000 0.00222898460000 -0.00267249320000 0.00320502940000 -0.00402091360000 0.00237059610000 -0.00610435230000 0.03246316420000 0.00545618300000 0.20209130480000 -0.14982933770000 1.77784352960000
0.06293340210000 -0.03341711100000 0.00898751460000 -0.01048210820000 0.01147154740000 -0.01745614270000 0.01916488140000 -0.05304185160000 0.05166201890000 0.28475695200000 0.29246053950000 2.31054567500000 -2.86714888450000
0.17648343400000 -0.09540392030000 0.02575899290000 -0.03100509990000 0.03753081510000 -0.04622621270000 0.02472125590000 -0.06422044090000 0.41292503030000 -0.07861216990000 1.50497577190000 -4.67053554050000 2.79713656520000
0.33561995450000 -0.18032386890000 0.04860730860000 -0.05614794230000 0.05948530460000 -0.09933524100000 0.12615833470000 -0.34355938700000 -0.00272508390000 1.84367506730000 -4.04062151070000 5.34116357900000 -2.16161694230000
0.38650969900000 -0.17413981360000 0.04492404490000 -0.05741748280000 0.08244849040000 -0.07531682970000 -0.04976936030000 0.23475664470000 0.76311243290000 -4.80866235730000 4.62706576680000 -4.38374478540000 1.46906095990000
0.20163935000000 0.11290821660000 -0.04536396640000 0.06380991640000 -0.10559413660000 0.08839813680000 0.11390642960000 -0.28495054110000 -3.39930156000000 5.76918848380000 -3.46873777040000 2.88474929740000 -0.91814024420000
0.03707216550000 0.46590866300000 -0.15492254960000 0.17792936940000 -0.16386110270000 0.42847418570000 -0.81497438960000 2.14646710850000 4.66536963300000 -4.42728311880000 2.01882208570000 -1.63920695980000 0.53167038220000
0.00585986520000 0.43551150260000 -0.13198376680000 0.19828642390000 -0.39832279780000 0.20209579690000 0.94631229630000 -3.85071221270000 -3.67281527310000 2.54114658530000 -1.01707583590000 0.84423790730000 -0.28339293040000
0.00120699010000 0.12956124270000 0.13445236330000 -0.32865434700000 0.98517396560000 -1.80155822120000 0.03251980850000 3.56667200100000 2.12608340060000 -1.22041441420000 0.47184548810000 -0.40213399210000 0.13823475650000
0.00014806360000 0.00676657760000 0.42917310160000 -0.62594834700000 0.03749387740000 2.13107665050000 -1.04812471020000 -2.37328195910000 -1.04150241960000 0.52827403140000 -0.20456499690000 0.17702851240000 -0.06153030950000
-0.00003033870000 0.00081336350000 0.46643861330000 0.29386274700000 -1.06809215930000 -1.12875582380000 1.52254809320000 1.38632427730000 0.46421649800000 -0.21255195390000 0.08235471100000 -0.07174673160000 0.02503622690000
0.00001012600000 -0.00020192550000 0.20568327900000 0.64161618480000 0.68076862150000 -0.02759888650000 -1.64135907390000 -0.81069530230000 -0.20319419860000 0.08217668800000 -0.03147555820000 0.02753743110000 -0.00962113070000
-0.00000380200000 0.00007754980000 0.00685358840000 0.10344452520000 0.31556734450000 0.55429117140000 1.21885816970000 0.40797323270000 0.07880455330000 -0.02730382640000 0.01020644460000 -0.00897591400000 0.00313715500000
* f-type functions
10 10
514.67904233
176.05114845
74.61889375
35.01872113
17.09406323
8.39952162
4.05898977
1.86442675
0.76272317
0.31202440
0.00111498120000 -0.00039821160000 0.00048295490000 -0.00004318350000 0.00183225970000 -0.00868248790000 0.00247990680000 -0.04833217760000 0.09365591220000 -1.29208011380000
0.00982775210000 -0.00328060330000 0.00408623970000 -0.00610850290000 -0.01882323890000 -0.00277252260000 0.18451509400000 -0.13259165830000 1.49097970860000 1.36368313070000
0.04487964670000 -0.01586163920000 0.01927584410000 -0.00558261050000 0.05012862360000 -0.25121940630000 0.19851636140000 -1.56833443630000 -2.21777027670000 -1.21007851130000
0.13289656100000 -0.04456236060000 0.05545928410000 -0.08335284080000 -0.25859062080000 -0.13734770840000 1.36780209750000 2.85081996570000 1.99206627240000 0.93180759780000
0.26670988090000 -0.09891353560000 0.13224238600000 -0.05086833330000 0.37364118020000 -1.33595464510000 -2.71963733410000 -2.67050502640000 -1.34705649680000 -0.62005709880000
0.35125553690000 -0.11567740780000 0.16828243940000 -0.42657872440000 -1.67946233330000 2.35375137950000 2.38322098410000 1.73795339080000 0.76182747470000 0.36267680610000
0.32156528010000 -0.12024810970000 0.19161047080000 0.23526279370000 2.88609833310000 -1.52462556540000 -1.36231438840000 -0.89022308680000 -0.37998824200000 -0.18760582560000
0.18530495720000 0.21238587030000 -0.77370990790000 1.08128416860000 -2.32926727820000 0.66440603390000 0.59541015450000 0.38256865050000 0.16627552620000 0.08383234080000
0.04828030110000 0.52537228030000 -0.27482659010000 -1.61783953950000 1.28670847540000 -0.26294871370000 -0.22798530660000 -0.14790144940000 -0.06533979400000 -0.03321287430000
0.00166062380000 0.44483568270000 0.86434385570000 0.97843443580000 -0.51499418190000 0.08651473540000 0.07465570690000 0.04860398840000 0.02158177870000 0.01099727340000
* g-type functions
4 4
2.21850987
1.09689689
0.52768838
0.22495689
0.24144800890000 -0.64836966150000 1.02561147280000 -1.11185884730000
0.51472503170000 -0.23337546010000 -1.00247426070000 2.10724845420000
0.33679370870000 0.61433747590000 -0.17397549800000 -2.03933686290000
0.12777768190000 0.36150664100000 0.82021175170000 1.09794794100000
* h-type functions
3 3
2.13984685
1.08378817
0.45780139
0.38190930580000 -0.80882973190000 1.18120773610000
0.52963204310000 0.15939536920000 -1.66812286150000
0.29070630130000 0.75742811640000 1.00111309290000
/Ir.ANO-R.Zobel.25s20p15d10f4g3h.17s14p13d10f4g3h.
J.P. Zobel, P.-O. Widmark, V. Veryazov. J. Chem. Theory Comput. 16 (2020) 278-294. doi:10.1021/acs.jctc.9b00873
IRIDIUM (25s,20p,15d,10f,4g,3h) -> [17s,14p,13d,10f,4g,3h]
77.0 5
* s-type functions
25 17
59493132.10200000
14585653.92000000
4096051.39690000
1282824.70160000
438434.74152000
160725.13996000
62356.77637600
25345.39002900
10712.26941900
4682.52496900
2108.54791970
975.12521207
461.85095511
223.33772038
109.82459655
54.61591809
27.25917161
13.51451399
6.56557889
3.07136861
1.35341528
0.54678809
0.19601056
0.05996144
0.01834276
0.00052030680000 -0.00015864630000 0.00010642500000 -0.00005354730000 0.00001981030000 -0.00000585740000 0.00001318560000 -0.00002146620000 0.00003050940000 -0.00001638860000 0.00005846880000 -0.00010258830000 0.00007963900000 -0.00067830160000 0.00325096910000 -0.01195356480000 0.02997830910000
0.00138004450000 -0.00042124370000 0.00028260160000 -0.00014219210000 0.00005260920000 -0.00001555610000 0.00003502240000 -0.00005710040000 0.00008124240000 -0.00004339630000 0.00015300600000 -0.00028228970000 0.00014616940000 -0.00104444980000 -0.00638417320000 0.02449006600000 -0.10319713710000
0.00290866740000 -0.00088964140000 0.00059682510000 -0.00030030340000 0.00011109880000 -0.00003284810000 0.00007393900000 -0.00012025320000 0.00017078350000 -0.00009210000000 0.00033128580000 -0.00056094330000 0.00051351750000 -0.00417121220000 0.01827699450000 -0.05961232400000 0.27427688590000
0.00561102780000 -0.00172329620000 0.00115633270000 -0.00058186940000 0.00021531800000 -0.00006367320000 0.00014337370000 -0.00023422140000 0.00033377660000 -0.00017694960000 0.00061376060000 -0.00121049490000 0.00035161900000 -0.00368111290000 -0.01726726590000 0.12838659440000 -0.74909584300000
0.01063785000000 -0.00329088740000 0.00220801860000 -0.00111117510000 0.00041107360000 -0.00012152560000 0.00027347750000 -0.00044318470000 0.00062769480000 -0.00034329930000 0.00127064890000 -0.00188527160000 0.00262878040000 -0.01770064990000 0.08280990840000 -0.24659397530000 1.76902148540000
0.01990478190000 -0.00623144980000 0.00418368690000 -0.00210582330000 0.00077963150000 -0.00023061050000 0.00051952830000 -0.00085406810000 0.00122300780000 -0.00063311920000 0.00208001930000 -0.00500405150000 -0.00094313120000 -0.01258987560000 -0.24823634880000 0.52659162520000 -4.05340391290000
0.03751333870000 -0.01196794230000 0.00803313480000 -0.00404448790000 0.00149612830000 -0.00044215590000 0.00099432670000 -0.00159548700000 0.00224307370000 -0.00127446560000 0.00506714680000 -0.00501559770000 0.01565126450000 -0.07509089890000 0.94367071410000 -1.05953762700000 7.33405370430000
0.07050449510000 -0.02316398130000 0.01557688940000 -0.00784625840000 0.00290834640000 -0.00086078970000 0.00194151150000 -0.00323830660000 0.00468711890000 -0.00229622050000 0.00653194460000 -0.02393440630000 -0.02476936620000 -0.04700446820000 -1.71545230650000 1.32558552860000 -8.93546249310000
0.12987268430000 -0.04480305390000 0.03012817790000 -0.01519125380000 0.00561990850000 -0.00165980060000 0.00372726640000 -0.00585632370000 0.00810614640000 -0.00498518380000 0.02249412880000 -0.00476259370000 0.11080902000000 -0.25995408730000 3.39366832570000 -0.66170258040000 6.69423535340000
0.22182425580000 -0.08318704930000 0.05628707030000 -0.02843142580000 0.01057019890000 -0.00313248840000 0.00708299310000 -0.01216464810000 0.01797153010000 -0.00786103980000 0.01463161750000 -0.12610072180000 -0.23126103990000 -0.30115818740000 -3.00876222830000 2.66760727130000 -2.36926975000000
0.31568976410000 -0.13695858250000 0.09317636620000 -0.04729945190000 0.01751666680000 -0.00516545870000 0.01155907230000 -0.01718091420000 0.02277706210000 -0.01712004840000 0.09754474220000 0.09175753600000 0.79558754010000 -0.28159369650000 2.66181891330000 -9.16956682420000 -1.31365459670000
0.29887524470000 -0.15465663620000 0.10790850810000 -0.05516191360000 0.02074766110000 -0.00618390850000 0.01413849410000 -0.02751892210000 0.04385358290000 -0.01074857120000 -0.05740653670000 -0.60442008470000 -1.74202769780000 -0.43574256800000 -6.77401150840000 15.91813341720000 3.45232104740000
0.12010961920000 0.01132072030000 -0.01785334310000 0.01103682600000 -0.00484457100000 0.00155402150000 -0.00405270910000 0.01812862600000 -0.03830289270000 -0.01162903890000 0.28373235540000 1.25458022810000 5.62169012320000 5.78150928070000 12.02818109690000 -1.865232546280e1 -4.15743245990000
-0.01697160180000 0.40876029560000 -0.40122629750000 0.23657674630000 -0.09115743280000 0.02682390420000 -0.05960455600000 0.07128970260000 -0.07771776330000 0.12389836040000 -1.05980792290000 -2.14890241340000 -1.469735398330e1 -9.68714186010000 -1.365964271820e1 17.10164774300000 3.81963560430000
-0.03108628540000 0.46606706140000 -0.64289865750000 0.42180980520000 -0.17298676620000 0.05225762260000 -0.12169283170000 0.26684180930000 -0.45755172780000 0.06463638590000 1.15160805460000 7.79471377950000 23.01548785130000 8.50487048740000 11.61913638700000 -1.338017567350e1 -2.97801630780000
-0.00783689760000 0.15309743710000 0.13637128390000 -0.15658594670000 0.07834977200000 -0.02515823700000 0.06603000540000 -0.26517929080000 0.58497715740000 0.05833936390000 -3.09064157780000 -1.725614641530e1 -2.386815006860e1 -5.36454041730000 -8.31729034120000 9.43839768290000 2.08523716310000
0.00377911330000 0.09784839480000 0.83485745850000 -1.15751598660000 0.56488402140000 -0.16999314390000 0.38580853210000 -0.38728490720000 0.31246226000000 -1.00627829240000 10.08340134890000 21.98684447210000 18.47417781690000 2.98448065290000 5.37323560940000 -6.16385884090000 -1.35109402200000
0.00082157470000 0.02818898980000 0.26832051640000 -0.14296244300000 0.06571503390000 -0.02523791190000 0.05558891500000 -0.53675240690000 1.15603860390000 1.03387783900000 -1.716785141680e1 -1.866486489370e1 -1.166701546270e1 -1.64802276770000 -3.21281991440000 3.73235033150000 0.81338818320000
0.00031459370000 0.00216609720000 0.07681902960000 1.09269597320000 -0.97621684820000 0.33707777610000 -0.86632382410000 2.68894767960000 -6.05901466620000 1.04947889060000 17.58282441300000 11.81429330810000 6.36973123350000 0.90182405670000 1.76957295530000 -2.07067998630000 -0.44978728230000
-0.00003487110000 0.00003086200000 0.02290479790000 0.36160433250000 -0.40701422910000 0.13525914930000 -0.25531246250000 -1.96486323540000 9.42718847250000 -3.46401817280000 -1.245311221830e1 -6.06018906560000 -3.10838084510000 -0.46010017970000 -0.88553922500000 1.03931631010000 0.22540920430000
0.00003218710000 0.00015965250000 -0.00038002830000 -0.00737552550000 1.04102805430000 -0.49220370400000 1.95505539530000 -1.70734135540000 -8.12130699070000 4.39287078000000 6.83908347930000 2.68640466680000 1.37650241740000 0.21080684440000 0.39961478820000 -0.46951808670000 -0.10176219810000
-0.00001370220000 -0.00007397070000 0.00020492610000 0.00581990690000 0.46421908500000 -0.40014557280000 -0.89583751590000 3.85938416290000 4.50958402490000 -4.09405231550000 -3.21806607650000 -1.07958339960000 -0.55733661540000 -0.08670927940000 -0.16329392680000 0.19194097810000 0.04158893500000
0.00000511000000 0.00002881750000 -0.00006046000000 -0.00189140540000 -0.00695449410000 0.52749013390000 -1.32986537590000 -2.95790658160000 -1.43840420510000 3.48724165970000 1.42721346200000 0.40590657860000 0.20881709470000 0.03263137580000 0.06135810380000 -0.07213485240000 -0.01562797050000
-0.00000183300000 -0.00001049250000 0.00001872700000 0.00063404750000 0.00720297290000 0.75115055560000 1.12393011180000 0.96991236850000 -0.30460118680000 -3.01828374560000 -0.67141265580000 -0.14873484280000 -0.07485243530000 -0.01168115810000 -0.02198220710000 0.02584325480000 0.00559870050000
0.00000053300000 0.00000307100000 -0.00000563280000 -0.00019335930000 -0.00185180790000 0.02116197330000 0.10387227720000 0.19143383830000 0.64599977980000 1.82776409680000 0.27438911730000 0.04507857380000 0.02179321720000 0.00338512790000 0.00638367380000 -0.00750406900000 -0.00162569680000
* p-type functions
20 14
6566735.06820000
1072140.81640000
231249.75535000
62099.27465300
19776.93615200
7182.52171260
2883.69495300
1249.28023860
573.20652178
274.57965766
135.76994088
68.63406920
35.14749566
18.05193094
9.18685546
4.56131295
2.16535544
0.95749489
0.38143597
0.15195214
0.00003742780000 -0.00002085670000 0.00000970810000 -0.00000372990000 0.00000250060000 -0.00000411810000 0.00000561370000 -0.00000787850000 0.00001504480000 -0.00002827410000 0.00011949640000 -0.00003795240000 0.00120394120000 -0.00252124260000
0.00013977620000 -0.00007801250000 0.00003632950000 -0.00001395890000 0.00000936910000 -0.00001545770000 0.00002083650000 -0.00002814670000 0.00006097530000 -0.00009274160000 0.00045350180000 -0.00034244230000 -0.00671788670000 0.00971156090000
0.00048138130000 -0.00026928380000 0.00012550160000 -0.00004822640000 0.00003228990000 -0.00005307350000 0.00007329520000 -0.00010722940000 0.00017642560000 -0.00041616930000 0.00160500100000 -0.00077848220000 0.01620660830000 -0.03783012080000
0.00150900790000 -0.00084672750000 0.00039498920000 -0.00015180390000 0.00010213000000 -0.00016910780000 0.00022299280000 -0.00027792860000 0.00076226320000 -0.00075076210000 0.00512991000000 -0.00216421720000 -0.06919653200000 0.09914290340000
0.00459683010000 -0.00259364640000 0.00121217760000 -0.00046595120000 0.00031099800000 -0.00050870480000 0.00072499880000 -0.00116112880000 0.00128173430000 -0.00517049470000 0.01757736790000 -0.01631510460000 0.17106777160000 -0.30448185090000
0.01370157230000 -0.00779323530000 0.00365179500000 -0.00140439810000 0.00094866570000 -0.00158045280000 0.00200793270000 -0.00214064430000 0.00858645050000 -0.00310199720000 0.05457738630000 -0.01030083150000 -0.62137181300000 0.65647714610000
0.03929546800000 -0.02270313440000 0.01069291900000 -0.00411412220000 0.00273594710000 -0.00444974490000 0.00658757540000 -0.01159526060000 0.00688270390000 -0.05771115390000 0.18399279840000 -0.21631892270000 0.91626661610000 -3.31010583700000
0.10312090860000 -0.06116628460000 0.02906261050000 -0.01119889800000 0.00760053140000 -0.01275254060000 0.01559051910000 -0.01355757770000 0.08203221140000 0.00381754320000 0.43344010200000 0.12362976710000 -3.62245406660000 5.63779864820000
0.22494569400000 -0.13936065260000 0.06717020980000 -0.02592462270000 0.01715803840000 -0.02769294190000 0.04331729770000 -0.08555665160000 0.00525635620000 -0.47904420820000 1.04212695420000 -1.58317234020000 7.40003082640000 -5.87726305260000
0.35431931300000 -0.23007948040000 0.11281175490000 -0.04368334290000 0.03008130960000 -0.05152396480000 0.05487265440000 -0.00635464510000 0.49037323730000 0.36796958490000 -1.99823846200000 6.14615099500000 -9.27517356420000 4.88019011690000
0.31562119320000 -0.16532067210000 0.07227446990000 -0.02731328240000 0.01634213760000 -0.02181902730000 0.06822201470000 -0.27365500890000 -0.70482452680000 -1.87619067250000 -0.26787795130000 -1.107589714790e1 8.74649203640000 -3.68337018710000
0.12064312830000 0.22906643530000 -0.18726127200000 0.07841372970000 -0.04954675040000 0.07408344450000 -0.20762937010000 0.74670050340000 1.28050198850000 6.83365115440000 2.86495681440000 12.66534033650000 -6.94036648750000 2.66439394610000
0.02809272660000 0.57066172060000 -0.47921909830000 0.20504852060000 -0.15106630510000 0.28147240670000 -0.18952809400000 -0.67856393100000 -5.07493621410000 -1.081742310630e1 -3.48072073420000 -1.070593720850e1 4.91214378680000 -1.85025398770000
0.01110370560000 0.30415037350000 -0.09491121500000 0.01636402020000 0.01500952010000 -0.09969916000000 -0.20650623370000 2.08334807120000 9.71629915110000 10.30060334280000 2.66198193030000 7.33692361780000 -3.17161030440000 1.20808210230000
0.00313912420000 0.03990690050000 0.61490811300000 -0.36495086980000 0.23458328630000 -0.33824041820000 1.35966670080000 -5.76973820970000 -1.028690077940e1 -6.98663637650000 -1.58961805590000 -4.31379258680000 1.86758408570000 -0.72375186110000
0.00188515920000 0.00752716090000 0.51423796750000 -0.35548684430000 0.33022633960000 -0.73151258590000 -0.52306735740000 8.09561186620000 7.13683012760000 3.74536249130000 0.81317962530000 2.24445569850000 -0.99258129730000 0.39003994240000
0.00021318460000 0.00007709290000 0.07455804310000 0.34956501310000 -0.55362881770000 1.90650916500000 -2.12637374940000 -6.92031501210000 -3.67596367790000 -1.70950384080000 -0.37171393960000 -1.04591045230000 0.47146174740000 -0.18688639550000
0.00002724180000 0.00027519810000 0.00207503920000 0.68742810550000 -0.51254478700000 -0.72128669860000 3.50457463660000 4.22419313710000 1.55367429380000 0.69767004620000 0.15384263380000 0.43808406180000 -0.19967878490000 0.07951640990000
-0.00000762970000 -0.00012388430000 -0.00010723060000 0.22080608280000 0.56570180830000 -1.20775182050000 -2.93159472260000 -2.08580974310000 -0.58743985570000 -0.26298063300000 -0.05853557220000 -0.16759949200000 0.07676641650000 -0.03063226560000
0.00000256300000 0.00003469060000 0.00008559980000 0.00379745620000 0.65989325990000 1.23221113200000 1.33456930910000 0.72267837200000 0.17295502210000 0.07730140940000 0.01726810270000 0.04953363020000 -0.02272453360000 0.00907403460000
* d-type functions
15 13
8359.28014100
2316.66188320
820.70491145
342.78598500
158.79948254
78.02678329
39.39028747
19.97905318
10.01615431
4.89532334
2.29851692
1.01730745
0.41321096
0.14828966
0.05321694
0.00035867750000 -0.00019314400000 0.00005148540000 -0.00006545540000 0.00007730420000 -0.00008905330000 0.00005188910000 -0.00020974190000 0.00071247680000 -0.00005645150000 0.00346779690000 -0.00114717530000 0.03924456790000
0.00273262860000 -0.00147967500000 0.00039468910000 -0.00048770600000 0.00052525670000 -0.00077180470000 0.00080732220000 -0.00241545910000 0.00166132570000 -0.01084989800000 0.01200327220000 -0.07258622460000 -0.03404963350000
0.01561935460000 -0.00850626210000 0.00227303660000 -0.00288818550000 0.00340013160000 -0.00394378310000 0.00237018830000 -0.00958019270000 0.03165967480000 -0.00676280680000 0.17617535560000 -0.05080870020000 1.88764923510000
0.06195881470000 -0.03422994430000 0.00917057180000 -0.01133695700000 0.01220944510000 -0.01790971200000 0.01871097250000 -0.05711463640000 0.04493584090000 -0.27144445010000 0.49574834210000 -1.92772941540000 -3.19554689310000
0.17423316670000 -0.09795028460000 0.02635445530000 -0.03363263630000 0.03997445640000 -0.04530863140000 0.02499283410000 -0.10935077950000 0.40546385340000 0.00256857150000 1.09763707800000 4.41280949830000 3.40573260030000
0.33275947530000 -0.18606852860000 0.04998636110000 -0.06115343870000 0.06382757290000 -0.10377163150000 0.12323631800000 -0.33651289790000 -0.05060405540000 -1.71317370430000 -3.60721490550000 -5.38110788540000 -2.87463747460000
0.38474594560000 -0.18094235850000 0.04623423760000 -0.06225501820000 0.08702732650000 -0.06379486470000 -0.04659357840000 0.13826992830000 0.80388883040000 4.68564220660000 4.33909163660000 4.61131987930000 2.07398455050000
0.20392896700000 0.11023837700000 -0.04674711100000 0.07077573130000 -0.11663562520000 0.07674283400000 0.10382343320000 0.11044957280000 -3.45009256230000 -5.70624238620000 -3.33953114380000 -3.12251905550000 -1.32785911100000
0.04368945110000 0.46749554570000 -0.15977342300000 0.19423497000000 -0.17708557480000 0.46690919430000 -0.78928489600000 1.60782679070000 4.95399134850000 4.42813189240000 1.97662114100000 1.80410775100000 0.77072265250000
0.01171267530000 0.43482970170000 -0.13453804880000 0.20980011030000 -0.41319675810000 0.07768738630000 0.92110423410000 -3.47048508270000 -4.17586038310000 -2.57153290310000 -1.00547865850000 -0.93694349390000 -0.40980034450000
0.00287130250000 0.12641968710000 0.14570923930000 -0.37339083220000 1.13603225600000 -1.65408954090000 0.05037668070000 3.41654931850000 2.58736766220000 1.24898324280000 0.46851590400000 0.44821064060000 0.19989826540000
0.00023161600000 0.00662571100000 0.42878284640000 -0.64680213660000 -0.20551875990000 2.11236276740000 -1.06894681660000 -2.33877489200000 -1.34425373340000 -0.54544420710000 -0.20336677830000 -0.19779103890000 -0.08911667580000
-0.00001965870000 0.00090800210000 0.45290974460000 0.37077997520000 -0.96246058470000 -1.23010568760000 1.53993410580000 1.37379079710000 0.63560019340000 0.22085540680000 0.08175101550000 0.08020117680000 0.03627670600000
0.00000835250000 -0.00012201260000 0.21313873960000 0.60386914570000 0.73906485570000 0.05141390690000 -1.65913486500000 -0.78885024170000 -0.29698566210000 -0.08590683080000 -0.03113334140000 -0.03075944410000 -0.01392966480000
-0.00000293150000 0.00007445620000 0.01175671820000 0.06946841850000 0.25551953520000 0.57782393520000 1.24059251570000 0.38114745670000 0.12156891490000 0.02872691700000 0.01005361370000 0.01001765020000 0.00453762900000
* f-type functions
10 10
551.54854794
188.57373803
79.97000839
37.57864286
18.38962350
9.07568609
4.41471279
2.04477137
0.84342773
0.34789725
0.00105110200000 -0.00037121530000 0.00046516950000 -0.00003376030000 0.00212399800000 -0.00693326990000 0.00133725900000 -0.06845028320000 0.12218932750000 -1.28882375600000
0.00931464470000 -0.00303448810000 0.00366307810000 -0.00542094480000 -0.01857154850000 0.00900381030000 0.16656278340000 -0.29361664680000 1.43342139360000 1.40710165550000
0.04314161750000 -0.01504475490000 0.01868457070000 -0.00489446330000 0.06061986860000 -0.23127604050000 0.17523821600000 -1.33558730010000 -2.35792491750000 -1.27088811270000
0.12942304170000 -0.04228440670000 0.05124149640000 -0.07657500060000 -0.26132517620000 -0.02082415300000 1.48387899940000 2.58922061660000 2.30379920930000 0.98697142500000
0.26383824310000 -0.09650342060000 0.13382605710000 -0.05468716400000 0.42284979910000 -1.58507357930000 -2.72828043790000 -2.44845224480000 -1.66534115390000 -0.66397223280000
0.35208883020000 -0.11285408090000 0.15850580480000 -0.40788261230000 -1.80451373590000 2.54977542300000 2.29978200650000 1.60018537330000 0.98292909570000 0.39411385010000
0.32409624010000 -0.12264260580000 0.22003443010000 0.16636546310000 3.00688935620000 -1.60599203440000 -1.31748684070000 -0.82251123070000 -0.49852572760000 -0.20609704320000
0.18444048400000 0.19890768710000 -0.78418621890000 1.16592395480000 -2.38324342280000 0.68491433250000 0.58260981870000 0.35406200780000 0.21833047240000 0.09253335160000
0.04680714470000 0.52820206480000 -0.29548858230000 -1.66868768810000 1.29462533140000 -0.26557312650000 -0.22347988750000 -0.13680340000000 -0.08548834080000 -0.03667481490000
0.00177330580000 0.45055458700000 0.87231912070000 0.99474768970000 -0.51254000360000 0.08587941120000 0.07327630000000 0.04485080400000 0.02813717120000 0.01211584820000
* g-type functions
4 4
2.82133028
1.40257932
0.65994788
0.27850859
0.11277941110000 -0.39531320540000 0.82688697870000 -1.38154289780000
0.52128995520000 -0.60208483890000 -0.38972013610000 2.17052891310000
0.41697137220000 0.64213142230000 -0.72774435900000 -1.80104465210000
0.15469491500000 0.41783989320000 0.98914229520000 0.88847697630000
* h-type functions
3 3
2.25180591
1.16277974
0.50341581
0.34328716920000 -0.87199667820000 1.20115421730000
0.54063263550000 0.19898003090000 -1.73589778930000
0.30945931780000 0.71778264430000 1.06283000430000
/Pt.ANO-R.Zobel.26s20p15d10f4g3h.18s14p13d10f4g3h.
J.P. Zobel, P.-O. Widmark, V. Veryazov. J. Chem. Theory Comput. 16 (2020) 278-294. doi:10.1021/acs.jctc.9b00873
PLATINUM (26s,20p,15d,10f,4g,3h) -> [18s,14p,13d,10f,4g,3h]
78.0 5
* s-type functions
26 18
61117418.40900000
15344205.35800000
4449632.89010000
1444407.66480000
511722.88419000
193944.42952000
77441.82153900
32213.98158900
13850.68292800
6123.95260070
2775.91947000
1287.94575830
611.14177561
296.36772208
146.69796586
73.93776184
37.78356896
19.44451261
9.97802000
5.03604837
2.45495843
1.12927195
0.47614819
0.17761405
0.05617410
0.01776622
0.00048626410000 -0.00026269820000 0.00010454440000 -0.00006160590000 0.00002055440000 -0.00000609820000 0.00001319140000 -0.00002196070000 0.00002709570000 -0.00001437060000 0.00004171000000 -0.00008158270000 0.00010741380000 -0.00053769340000 0.00066505280000 -0.00147727540000 0.04026454200000 -0.00380514730000
0.00127480790000 -0.00068917990000 0.00027440670000 -0.00016169300000 0.00005394600000 -0.00001600450000 0.00003461250000 -0.00005757640000 0.00007118340000 -0.00003798230000 0.00011072170000 -0.00020888600000 0.00029226700000 -0.00140977330000 -0.00014697990000 0.02640601500000 -0.13226843190000 0.04008439120000
0.00260583170000 -0.00141058050000 0.00056216750000 -0.00033125010000 0.00011052680000 -0.00003279230000 0.00007094770000 -0.00011818130000 0.00014561280000 -0.00007689360000 0.00022246540000 -0.00044655960000 0.00055920850000 -0.00307809300000 0.00473367190000 -0.08318823320000 0.37208281850000 -0.10083335760000
0.00487301340000 -0.00264452070000 0.00105584480000 -0.00062202490000 0.00020753110000 -0.00006156750000 0.00013310930000 -0.00022117910000 0.00027421850000 -0.00014755640000 0.00043275870000 -0.00077537170000 0.00118259520000 -0.00437827230000 -0.00420706540000 0.16134768770000 -0.82972264240000 -0.02226937730000
0.00895266350000 -0.00488014200000 0.00195458390000 -0.00115141930000 0.00038428150000 -0.00011402310000 0.00024684240000 -0.00041203370000 0.00050517420000 -0.00026264130000 0.00075102890000 -0.00164921990000 0.00175020300000 -0.01383868870000 0.01906835270000 -0.37897505380000 1.71090524870000 0.53601090750000
0.01623371840000 -0.00891169550000 0.00358707050000 -0.00211192500000 0.00070463940000 -0.00020902210000 0.00045147170000 -0.00074763230000 0.00093499490000 -0.00051604990000 0.00154053000000 -0.00233906360000 0.00459801630000 -0.01632135290000 -0.00341065850000 0.77137852270000 -2.52835748500000 -1.77849877410000
0.02973059250000 -0.01650839800000 0.00669769070000 -0.00394304350000 0.00131682910000 -0.00039081670000 0.00084739930000 -0.00142221030000 0.00172115290000 -0.00085768720000 0.00237221320000 -0.00651237870000 0.00417658010000 -0.03596840810000 0.03024743920000 -1.32724985200000 4.05526490510000 2.73082615350000
0.05457394480000 -0.03082528110000 0.01265372900000 -0.00743962220000 0.00248246140000 -0.00073623160000 0.00158677880000 -0.00260763210000 0.00332542500000 -0.00193641000000 0.00598525190000 -0.00596178270000 0.02082797270000 -0.07166597930000 0.05029859370000 4.19192149770000 -6.22826129680000 -4.76135114350000
0.09931362630000 -0.05773698250000 0.02416066910000 -0.01420592150000 0.00475152370000 -0.00141085170000 0.00306871820000 -0.00520521780000 0.00614083240000 -0.00279713220000 0.00714618620000 -0.02953177700000 0.00227586500000 -0.17597951780000 0.02895251690000 -9.96155460140000 6.44122096310000 4.27390293830000
0.17148853780000 -0.10459269020000 0.04514486430000 -0.02647438030000 0.00884017830000 -0.00262082890000 0.00562559650000 -0.00910945630000 0.01206230170000 -0.00770183000000 0.02510146690000 -0.00601647770000 0.10627505410000 -0.21309688980000 0.49614802890000 14.90720332530000 -2.61509400760000 -2.66248024540000
0.25770550410000 -0.17190339980000 0.07830979310000 -0.04599487150000 0.01545394200000 -0.00459383400000 0.01006175190000 -0.01746265850000 0.01948890170000 -0.00698306000000 0.01321726120000 -0.13931088380000 -0.07117827900000 -0.36490704730000 -0.83877162340000 -1.628860093980e1 -0.18627483720000 1.43773834620000
0.28247937780000 -0.21575927270000 0.10595408570000 -0.06206663390000 0.02077156350000 -0.00614953850000 0.01300102220000 -0.01988008440000 0.03020789080000 -0.02498294650000 0.09134713590000 0.11594150620000 0.53072284720000 -0.56149779800000 2.63148391690000 14.95554122210000 -1.95189674030000 1.52701398010000
0.16782527930000 -0.10896078520000 0.04830569790000 -0.02869163480000 0.00986610960000 -0.00297347810000 0.00722399100000 -0.01658355210000 0.00610770270000 0.01950617420000 -0.10411587610000 -0.54582065280000 -0.85645837190000 3.01402933070000 -9.77048294900000 -1.262873116100e1 5.66916281630000 -4.90084537860000
0.06346583190000 0.25058167560000 -0.24101981750000 0.15683517740000 -0.05607649900000 0.01682874510000 -0.03859847180000 0.07669957580000 -0.06176925500000 -0.02207392250000 0.17814692750000 1.54141192430000 2.18466147410000 -0.35088985830000 20.21034808660000 10.21288472950000 -7.45883872900000 6.41779053270000
0.06244873650000 0.49416318340000 -0.60630139960000 0.42874313110000 -0.15527689350000 0.04615010170000 -0.09608462580000 0.13628579430000 -0.26050906430000 0.27732363100000 -1.09642291990000 -2.14109247780000 -9.78005286610000 -5.84656131010000 -2.714246195880e1 -8.02162747630000 7.14408794170000 -6.07258803940000
0.02977470950000 0.24270626690000 -0.27516276160000 0.21468555900000 -0.08579145610000 0.02639110160000 -0.06759573450000 0.17274875460000 -0.01160100580000 -0.31090870680000 1.57574999010000 6.45168243030000 21.43516580280000 9.09308666320000 27.06979709860000 6.13055023920000 -5.83733875380000 4.90159465340000
0.03066525740000 0.10940106300000 0.63265174500000 -0.86759027500000 0.40546042090000 -0.12530520540000 0.30422550670000 -0.68651448500000 0.53162794700000 0.34067101770000 -2.34040551300000 -1.717070663660e1 -2.753660910130e1 -8.26044070980000 -2.195536156350e1 -4.50907771810000 4.33169507380000 -3.60885500360000
0.02115004670000 0.07222597520000 0.48580842310000 -0.89645274690000 0.43750355540000 -0.13271924780000 0.24588452500000 -0.12076453110000 0.87190202890000 -1.74383574810000 7.95359064360000 26.36657285640000 24.55127254660000 5.77481824760000 15.34341645150000 3.12446094870000 -2.96327805470000 2.46008070000000
0.00406967410000 0.01043293730000 0.14175497930000 0.64824608750000 -0.46187580290000 0.14465387730000 -0.27601437390000 0.11733167140000 -1.88670416130000 3.65023803740000 -1.698908122600e1 -2.595622014980e1 -1.687622783270e1 -3.47429024960000 -9.52603065080000 -1.99039157420000 1.85551415160000 -1.53850483820000
0.00253452960000 0.00767432320000 0.12038306940000 0.84910303370000 -0.98889449610000 0.35970040740000 -0.99907131480000 2.84075697120000 -1.74207803230000 -3.32087903110000 21.19520355870000 18.22084726640000 9.56840909850000 1.88604247780000 5.30555567510000 1.14089008750000 -1.04851612470000 0.86891676980000
0.00019273250000 -0.00000655330000 0.01092186750000 0.11407153030000 0.20772326270000 -0.11319685580000 0.68426380920000 -4.39370467820000 7.23562675700000 0.69977364610000 -1.764859463340e1 -9.91047821370000 -4.68548195290000 -0.92926426930000 -2.64417715310000 -0.58011572460000 0.52815158660000 -0.43751732790000
0.00005255840000 0.00037325510000 0.00196387140000 0.00170988530000 0.99472675010000 -0.52061606100000 1.49557900280000 1.28620659710000 -8.84501884470000 1.84405647610000 11.01107321420000 4.47668716330000 2.04078534070000 0.41176179790000 1.17538854360000 0.26069637840000 -0.23610861160000 0.19553578370000
-0.00002126870000 -0.00014968980000 -0.00075446200000 0.00009952320000 0.25523890240000 -0.23812226420000 -1.33956605770000 2.30590364880000 6.32601173150000 -3.05635233700000 -5.69445180150000 -1.78287265840000 -0.80466150130000 -0.16405005390000 -0.46865414190000 -0.10445341110000 0.09436802740000 -0.07813911800000
0.00000819250000 0.00005593870000 0.00029738180000 0.00014240780000 -0.00286796220000 0.61617934740000 -0.92649470070000 -2.70588382430000 -2.85626672190000 3.27520975500000 2.68917098170000 0.65572327250000 0.29260906280000 0.05975611220000 0.17082729550000 0.03813870420000 -0.03442208030000 0.02850025140000
-0.00000293060000 -0.00001973350000 -0.00010691020000 -0.00007496380000 0.00406580600000 0.65720241230000 1.10901558320000 1.10356374490000 0.43966948880000 -3.13067071190000 -1.30933942380000 -0.23430701670000 -0.10246716920000 -0.02080605390000 -0.05955633690000 -0.01329703880000 0.01199781140000 -0.00993350790000
0.00000083550000 0.00000563140000 0.00003034950000 0.00001820070000 -0.00066181230000 0.00681595320000 0.06780252890000 0.12027478780000 0.39476821470000 1.94549936990000 0.53754891250000 0.06921019940000 0.02955561500000 0.00593336930000 0.01701998890000 0.00379684460000 -0.00342593990000 0.00283648660000
* p-type functions
20 14
6906805.72780000
1128948.41250000
243837.38681000
65541.29432900
20876.32437600
7576.18264510
3037.07319140
1312.98028340
601.04683685
287.29935904
141.82963966
71.64016742
36.69411733
18.86873322
9.62132472
4.78758304
2.27643713
1.00639057
0.39941936
0.15852277
0.00003834910000 -0.00002065750000 0.00001018950000 -0.00000388210000 0.00000250020000 -0.00000418460000 0.00000577650000 -0.00000819440000 0.00001598310000 -0.00002916720000 0.00012669920000 -0.00009792810000 0.00090160660000 -0.00558352360000
0.00014312490000 -0.00007722140000 0.00003810570000 -0.00001451920000 0.00000936150000 -0.00001569630000 0.00002144680000 -0.00002931200000 0.00006431490000 -0.00009647250000 0.00044331950000 -0.00042564150000 -0.00485498360000 0.02111100960000
0.00048954230000 -0.00026473990000 0.00013072910000 -0.00004981810000 0.00003204660000 -0.00005353130000 0.00007477780000 -0.00011045970000 0.00018783250000 -0.00042490380000 0.00159955400000 -0.00033865260000 0.01408010140000 -0.08496050990000
0.00152255070000 -0.00082597770000 0.00040819030000 -0.00015558650000 0.00010054160000 -0.00016918610000 0.00022656760000 -0.00028632350000 0.00078438470000 -0.00077755980000 0.00514955100000 -0.00366846370000 -0.06139622710000 0.25305847960000
0.00459986650000 -0.00250936170000 0.00124213260000 -0.00047357980000 0.00030372880000 -0.00050487400000 0.00072616500000 -0.00117354450000 0.00138214520000 -0.00519400470000 0.01690511380000 -0.01179614500000 0.15247893830000 -0.81586521200000
0.01361775470000 -0.00748996380000 0.00371574670000 -0.00141764120000 0.00091967150000 -0.00155724740000 0.00201462910000 -0.00218384910000 0.00862249690000 -0.00327038400000 0.05385914670000 -0.01511051750000 -0.56856379710000 1.58513702920000
0.03890687680000 -0.02173724010000 0.01083145830000 -0.00413537770000 0.00264286580000 -0.00436739470000 0.00651095400000 -0.01157440730000 0.00784771260000 -0.05755729440000 0.17506900820000 -0.20391470320000 0.87708930480000 -4.22820668690000
0.10214409560000 -0.05859648160000 0.02941785370000 -0.01125497620000 0.00733479680000 -0.01250959930000 0.01561846940000 -0.01388830670000 0.08146926770000 0.00260777170000 0.42665327220000 0.14808958520000 -3.61820706220000 6.19528837130000
0.22390903930000 -0.13417044660000 0.06820082370000 -0.02615338880000 0.01663885740000 -0.02728287440000 0.04281956740000 -0.08542057640000 0.01374909110000 -0.47697231330000 1.01853608490000 -1.74372564040000 7.33152313560000 -6.10390392810000
0.35595329910000 -0.22375214620000 0.11547546960000 -0.04447363340000 0.02938848420000 -0.05117742050000 0.05644381980000 -0.00951596880000 0.48357739680000 0.36758921800000 -1.83112271100000 6.36707550530000 -9.05693901370000 4.97323270990000
0.32097662040000 -0.16438262410000 0.07699917260000 -0.02882881490000 0.01672514850000 -0.02288447350000 0.06741308140000 -0.27429659640000 -0.66772758840000 -1.87859222810000 -0.58580105770000 -1.120846249720e1 8.42012392030000 -3.77220929050000
0.12126006480000 0.22207073670000 -0.18394028940000 0.07801546050000 -0.04742376520000 0.07164962540000 -0.19969847760000 0.74449017450000 1.17813111650000 6.85601087470000 3.24579918010000 12.71208260290000 -6.61813194280000 2.77176675700000
0.02193914330000 0.56742491310000 -0.48357943240000 0.20918772720000 -0.14772341160000 0.28026490320000 -0.20542441580000 -0.66687117580000 -4.95303067550000 -1.093148311170e1 -3.83185907950000 -1.074211473480e1 4.67120530650000 -1.95393212810000
0.00715711570000 0.30977100620000 -0.10827910970000 0.02210326610000 0.01020753580000 -0.09202850920000 -0.19285462430000 2.09870352570000 9.64828482670000 10.52286381710000 2.92501742340000 7.38567002090000 -3.02287274700000 1.28836743760000
0.00056233880000 0.04526893170000 0.61156982280000 -0.37088870820000 0.23022591210000 -0.33594277400000 1.32441266480000 -5.83323450170000 -1.028489116650e1 -7.21765997520000 -1.75262461470000 -4.35658900190000 1.78600804600000 -0.77526774390000
0.00008300410000 0.01060373440000 0.52139207760000 -0.36869063600000 0.32588188350000 -0.73300298120000 -0.43486423690000 8.15368771220000 7.15521131300000 3.89714971720000 0.89798077390000 2.26767399580000 -0.95011654530000 0.41765567970000
-0.00003558820000 0.00052007090000 0.07578354050000 0.36335159430000 -0.53860849000000 1.86921393460000 -2.22391959810000 -6.91791086210000 -3.68052061600000 -1.77914771590000 -0.40923386840000 -1.05272182280000 0.44982885290000 -0.19919810470000
0.00001741700000 0.00027632160000 0.00210225060000 0.69084727410000 -0.50320303260000 -0.65586353350000 3.54002325350000 4.17436827650000 1.54682445850000 0.72166377940000 0.16819398740000 0.43772498450000 -0.18920477190000 0.08410312900000
-0.00000565690000 -0.00012331040000 -0.00009169080000 0.21055504140000 0.54615668240000 -1.25799647730000 -2.90955122270000 -2.03581373960000 -0.58130027860000 -0.27021460280000 -0.06358115450000 -0.16634914070000 0.07226996170000 -0.03217864870000
0.00000185770000 0.00003435280000 0.00008897000000 0.00317487170000 0.67624821690000 1.24145696510000 1.31103820700000 0.70051808640000 0.17110917060000 0.07939730130000 0.01875123320000 0.04914583730000 -0.02138640440000 0.00952786710000
* d-type functions
15 13
8451.50460870
2337.75667240
827.80216537
345.65921931
160.01743035
78.52021381
39.56446935
20.02142455
10.01082202
4.87682013
2.27936265
1.00150036
0.40184481
0.14129401
0.04968086
0.00037922720000 -0.00020124280000 0.00005681150000 -0.00007087360000 0.00008358310000 -0.00009043610000 0.00005332850000 -0.00017320000000 0.00072433050000 -0.00003252830000 0.00439676050000 -0.00179083370000 0.02681955060000
0.00288544380000 -0.00154143590000 0.00043593210000 -0.00052933060000 0.00059456930000 -0.00088831450000 0.00094268830000 -0.00214712470000 0.00196896490000 0.01154570290000 0.00757941560000 0.08396867020000 -0.02361810860000
0.01640163560000 -0.00880614690000 0.00249194460000 -0.00310797580000 0.00366008140000 -0.00399931920000 0.00243660480000 -0.00784517120000 0.03201881740000 0.00363483400000 0.22158346320000 -0.08841403960000 1.87785963190000
0.06475697150000 -0.03532193520000 0.01003176530000 -0.01218712180000 0.01368093610000 -0.02042411930000 0.02169901580000 -0.05010365880000 0.05120681130000 0.28174118540000 0.35835085050000 2.16692431510000 -3.04706808450000
0.18075957930000 -0.10023154170000 0.02854428370000 -0.03577191870000 0.04239062770000 -0.04467643010000 0.02449923300000 -0.08668630980000 0.40425747330000 -0.08665451650000 1.31919534890000 -4.58250155400000 3.03087418020000
0.34132523570000 -0.18818284220000 0.05359371500000 -0.06438534810000 0.07121716420000 -0.12020332380000 0.14319322440000 -0.29986949550000 -0.01010521180000 1.84734138920000 -3.78006031610000 5.37039826040000 -2.37342423750000
0.38441062160000 -0.17307810990000 0.04636553450000 -0.06131792570000 0.08142396510000 -0.03197472740000 -0.08402326960000 0.14678068800000 0.71498164900000 -4.80103373140000 4.36815843210000 -4.47024141120000 1.62122004440000
0.19301088020000 0.13304425450000 -0.05596057150000 0.08296853120000 -0.12337913250000 0.04199654140000 0.14768541220000 0.00619759850000 -3.32788325570000 5.77806488700000 -3.27414585380000 2.96305759380000 -1.01393106500000
0.03592403020000 0.48366651460000 -0.17347051850000 0.20670358130000 -0.22041122550000 0.60982891710000 -0.96197391070000 1.63138594710000 4.73695776670000 -4.47107140540000 1.90170128910000 -1.68871178730000 0.58736885900000
0.00735091780000 0.42031192990000 -0.12923078460000 0.19901985770000 -0.35098885960000 -0.26669526430000 1.39472371230000 -3.42210326140000 -3.88102285920000 2.59766278380000 -0.95611822150000 0.86992591600000 -0.31327046840000
0.00148531030000 0.10824973890000 0.18601495070000 -0.46218599920000 1.26243024420000 -1.31267171300000 -0.67307515610000 3.43378713440000 2.33313213180000 -1.26172127270000 0.44187635860000 -0.41310378950000 0.15252501570000
0.00013123860000 0.00500231280000 0.45838133070000 -0.58360875560000 -0.53708711070000 2.07684122500000 -0.34597965200000 -2.43530807640000 -1.18432339130000 0.54947119130000 -0.18988375610000 0.18036001810000 -0.06739102830000
-0.00002628220000 0.00084513170000 0.43338646210000 0.49929947140000 -0.74379635240000 -1.50705035460000 1.01156850720000 1.51019120620000 0.55250421730000 -0.22161499380000 0.07528100680000 -0.07205720490000 0.02704563360000
0.00000787170000 -0.00000479540000 0.17084240970000 0.54255309160000 0.81381973060000 0.42382752380000 -1.39999035800000 -0.95519678020000 -0.26120276230000 0.08670141190000 -0.02829582740000 0.02725094730000 -0.01024732010000
-0.00000312660000 0.00004858680000 0.00264681900000 0.03096860670000 0.14334352650000 0.39213623040000 1.24603638750000 0.52763951460000 0.11338980920000 -0.02997785010000 0.00913518600000 -0.00887274350000 0.00334109560000
* f-type functions
10 10
583.35186147
199.27008858
84.57942447
39.78602960
19.50093757
9.65434456
4.71919414
2.19614923
0.90509854
0.37301808
0.00102039120000 -0.00036038190000 0.00044929470000 -0.00002395180000 0.00225955240000 -0.00842582370000 0.00049748570000 -0.04657732280000 0.07452084800000 -1.29309365530000
0.00906402620000 -0.00293470720000 0.00339659700000 -0.00506277580000 -0.01867805550000 0.00099476260000 0.16982560140000 -0.13821686120000 1.51817582420000 1.34479960780000
0.04231273470000 -0.01474383010000 0.01809507120000 -0.00432271410000 0.06610471830000 -0.25410874620000 0.14588438590000 -1.59181341780000 -2.25432868620000 -1.19184622000000
0.12807697530000 -0.04156891510000 0.04840033820000 -0.07300778990000 -0.26570466190000 -0.08593958020000 1.51231996240000 2.83956032920000 2.05161748000000 0.92650328060000
0.26345803240000 -0.09630126970000 0.13312901540000 -0.05525985700000 0.45599119520000 -1.45632096360000 -2.86369508720000 -2.62539825450000 -1.41942110240000 -0.62815826170000
0.35371476060000 -0.11269202790000 0.15248981740000 -0.40038771230000 -1.87863602460000 2.42978712690000 2.49765959900000 1.70251963480000 0.82353868030000 0.37580963880000
0.32517220700000 -0.12368402650000 0.23109387160000 0.13849622190000 3.07455516120000 -1.52000789980000 -1.44501110270000 -0.87474965090000 -0.41793205630000 -0.19762039550000
0.18124043330000 0.20348143970000 -0.79395137100000 1.19159234010000 -2.40297043180000 0.63521297350000 0.63466949550000 0.37513885710000 0.18313458680000 0.08851687100000
0.04355065770000 0.54038797330000 -0.28316304360000 -1.67819855640000 1.28574450300000 -0.24206026040000 -0.24090277920000 -0.14360999360000 -0.07126998200000 -0.03477666800000
0.00136661000000 0.43526162470000 0.87493148660000 1.00129336540000 -0.50751040000000 0.07727161600000 0.07868199820000 0.04699340300000 0.02342748730000 0.01146739270000
* g-type functions
4 4
3.12065195
1.42176903
0.69267055
0.29227331
0.12328983500000 -0.39234278100000 0.79914898450000 -1.21668038040000
0.56062173610000 -0.64345461710000 -0.38622414390000 2.02848094170000
0.37286680500000 0.72730225170000 -0.66742372920000 -1.85006546540000
0.14571821350000 0.38036540350000 0.97557597990000 0.92809707780000
* h-type functions
3 3
2.69682607
1.27683322
0.55421616
0.26710138810000 -0.75188911500000 1.13334612380000
0.61474035860000 -0.02167919500000 -1.55877210950000
0.30869745430000 0.78650306340000 0.99023586570000
/Au.ANO-R.Zobel.26s20p15d10f4g3h.17s13p13d10f4g3h.
J.P. Zobel, P.-O. Widmark, V. Veryazov. J. Chem. Theory Comput. 16 (2020) 278-294. doi:10.1021/acs.jctc.9b00873
GOLD (26s,20p,15d,10f,4g,3h) -> [17s,13p,13d,10f,4g,3h]
79.0 5
* s-type functions
26 17
61066379.26800000
15377008.41600000
4485762.65120000
1466744.60560000
523459.84280000
199697.22392000
80159.70183800
33469.71008800
14422.84741800
6382.84014210
2893.11088680
1341.48683800
636.08057126
308.33492744
152.66493790
77.04029713
39.45877092
20.37158580
10.49271663
5.31460424
2.59667933
1.19391856
0.50081767
0.18452771
0.05706009
0.01764425
0.00039896200000 -0.00043009590000 0.00010932230000 -0.00006570600000 0.00002221720000 -0.00000650940000 0.00001564350000 -0.00002323890000 0.00002949050000 -0.00001528280000 0.00004062290000 -0.00009058100000 0.00010130190000 -0.00060550500000 0.00027443690000 -0.00450461660000 0.01835506050000
0.00104057510000 -0.00112245760000 0.00028553870000 -0.00017160480000 0.00005802290000 -0.00001699960000 0.00004084070000 -0.00006062190000 0.00007712350000 -0.00004020970000 0.00010769930000 -0.00023111750000 0.00027452470000 -0.00162517680000 0.00079244140000 0.00993154880000 -0.07244616770000
0.00210718010000 -0.00227554040000 0.00057973740000 -0.00034839720000 0.00011781160000 -0.00003451850000 0.00008297530000 -0.00012333610000 0.00015623810000 -0.00008061090000 0.00021304470000 -0.00048853290000 0.00052226180000 -0.00368760690000 0.00147974830000 -0.03727938870000 0.20758328330000
0.00390308210000 -0.00422407950000 0.00107926910000 -0.00064843550000 0.00021925090000 -0.00006423380000 0.00015425150000 -0.00022870720000 0.00029199720000 -0.00015354340000 0.00041567900000 -0.00084393950000 0.00108678930000 -0.00580472950000 0.00394122680000 0.05099865890000 -0.59990156050000
0.00710240210000 -0.00771572950000 0.00198129540000 -0.00119017310000 0.00040255420000 -0.00011795900000 0.00028378680000 -0.00042272120000 0.00053214000000 -0.00027024220000 0.00069932120000 -0.00176812500000 0.00158323730000 -0.01052695740000 0.00188451340000 -0.14779634660000 1.19391188090000
0.01275235500000 -0.01393720860000 0.00360710520000 -0.00216529690000 0.00073214360000 -0.00021447070000 0.00051433630000 -0.00075996860000 0.00098091030000 -0.00052913080000 0.00147709100000 -0.00251974320000 0.00420755130000 -0.02645401040000 0.01880509720000 0.21291520170000 -2.34641432300000
0.02312135120000 -0.02551742570000 0.00668755230000 -0.00401305710000 0.00135818910000 -0.00039808810000 0.00095982440000 -0.00143760830000 0.00178024500000 -0.00086607310000 0.00210865680000 -0.00682538230000 0.00352492860000 -0.03062593880000 -0.00190681250000 -0.61398473780000 3.86273535640000
0.04198776760000 -0.04702452380000 0.01255367620000 -0.00752091420000 0.00254314730000 -0.00074479170000 0.00178077470000 -0.00261098500000 0.00345267530000 -0.00196409210000 0.00581171990000 -0.00648527620000 0.01885547390000 -0.11195825350000 0.11918475140000 1.04347214240000 -6.30514930310000
0.07547172910000 -0.08666281470000 0.02384713930000 -0.01427873360000 0.00483958920000 -0.00141923450000 0.00343663220000 -0.00520221350000 0.00623929430000 -0.00277072470000 0.00578803010000 -0.03022645490000 0.00008598990000 -0.10349427860000 -0.13857832690000 -1.42714969390000 5.03008548130000
0.12830539400000 -0.15368812140000 0.04439290100000 -0.02649106950000 0.00896286580000 -0.00262378420000 0.00623778770000 -0.00901131740000 0.01247908860000 -0.00776831820000 0.02502895280000 -0.00798291370000 0.09674237250000 -0.42170887270000 0.70307102560000 2.09525478980000 -1.21751358480000
0.18808802380000 -0.24449514240000 0.07688219870000 -0.04587759080000 0.01561665570000 -0.00458531530000 0.01120928380000 -0.01735969010000 0.01940919200000 -0.00671770430000 0.00654291950000 -0.13995648350000 -0.07101429680000 -0.08585931740000 -1.08173325460000 -6.57005909660000 -0.84330804770000
0.19858749180000 -0.29446958220000 0.10414188920000 -0.06188450150000 0.02097633770000 -0.00613055140000 0.01426752340000 -0.01944570780000 0.03183573890000 -0.02539337230000 0.09733929220000 0.10831359150000 0.49133158110000 -0.85988076980000 2.68850742200000 14.72792991270000 1.71581404690000
0.12554381880000 -0.15879528580000 0.04797565510000 -0.02890735200000 0.01006551230000 -0.00300124520000 0.00843064050000 -0.01705136720000 0.00351680510000 0.02076949660000 -0.13029204830000 -0.54443365230000 -0.70340583630000 3.70553480270000 -9.50084488530000 -2.071264899260e1 -2.39722934360000
0.13937786480000 0.21401309130000 -0.23724411020000 0.15510648740000 -0.05614574980000 0.01665814210000 -0.04336423690000 0.07683412860000 -0.05520454000000 -0.02633460530000 0.25497587120000 1.52170916790000 2.00325986680000 -1.82123921330000 20.13853836050000 21.52194659220000 2.61220123470000
0.21613819140000 0.44966982600000 -0.60191273400000 0.42759014730000 -0.15664396230000 0.04594532600000 -0.10438676270000 0.13147849190000 -0.28312155150000 0.28567687720000 -1.21541035680000 -1.96594976710000 -9.73401858670000 -3.68976754670000 -2.775661639190e1 -1.876726204810e1 -2.31875762170000
0.10678289340000 0.22436084340000 -0.28261265910000 0.22133687430000 -0.08946555150000 0.02725600190000 -0.08179566890000 0.18224177920000 0.02585437210000 -0.33021759910000 1.91887650160000 6.15516812420000 21.71619362260000 6.74148251140000 28.23130929910000 14.83692768540000 1.82752974070000
0.06449224560000 0.09090939270000 0.62315051920000 -0.85425382300000 0.40411978470000 -0.12362342210000 0.34586251760000 -0.69653878520000 0.45187711610000 0.39663482860000 -3.24268020690000 -1.694714235040e1 -2.824471730710e1 -6.21726843460000 -2.321223723420e1 -1.096090703720e1 -1.34348919380000
0.04434021440000 0.06020377890000 0.49321166730000 -0.91466647930000 0.45183095830000 -0.13514189460000 0.25974131750000 -0.09355676080000 1.07852577750000 -1.84917855170000 9.40871969180000 26.11494179260000 25.47793202240000 4.29020300320000 16.34991850630000 7.54382747930000 0.92301337210000
0.00768205280000 0.00865446550000 0.14355725250000 0.62489782990000 -0.44970688230000 0.13838118560000 -0.26550826560000 0.04289016360000 -2.24554904170000 3.74168426820000 -1.853062553390e1 -2.538283785280e1 -1.765459325370e1 -2.53709212490000 -1.016809077510e1 -4.75193974520000 -0.58101051060000
0.00511648130000 0.00638556990000 0.12217785380000 0.86583244860000 -1.01860804290000 0.36757053680000 -1.19184314820000 2.99051449230000 -1.29456404310000 -3.30967390030000 22.33903983770000 17.36053109360000 10.01659921100000 1.35782199520000 5.63562527400000 2.68611133830000 0.32805151060000
0.00024708350000 -0.00000803960000 0.01192388190000 0.12071798200000 0.20746656000000 -0.11630017060000 0.89337602950000 -4.69933892730000 6.75848999850000 0.60340864430000 -1.824972150760e1 -9.09018879170000 -4.86299179460000 -0.66003114110000 -2.77702089810000 -1.34319676000000 -0.16381654950000
0.00016135910000 0.00031365350000 0.00182441270000 0.00146459940000 1.00405898700000 -0.51353142090000 1.54558157080000 1.77157321070000 -8.41884605230000 1.91593502260000 11.21588476990000 3.91470100740000 2.08283354290000 0.28748598200000 1.21373364040000 0.59185545300000 0.07210990160000
-0.00006349120000 -0.00012301930000 -0.00068160670000 0.00024943110000 0.25151945880000 -0.23024676640000 -1.62179062700000 1.88494975920000 6.05726456500000 -3.02916948690000 -5.71083601490000 -1.47699149440000 -0.80378076940000 -0.11209757230000 -0.47410165320000 -0.23202654980000 -0.02825627260000
0.00002355600000 0.00004507910000 0.00026542940000 0.00009546080000 -0.00192070660000 0.60511474530000 -0.63959020580000 -2.56897509860000 -2.76084658020000 3.15972513380000 2.64335453860000 0.51235799840000 0.28598999590000 0.03990565460000 0.16926660670000 0.08293883960000 0.01009967360000
-0.00000821420000 -0.00001564020000 -0.00009373720000 -0.00004945180000 0.00479256800000 0.66287186410000 0.98807825440000 1.11786167590000 0.41174432670000 -2.99886205650000 -1.25010651530000 -0.17144533440000 -0.09864103960000 -0.01365140040000 -0.05821151370000 -0.02851967870000 -0.00347366470000
0.00000235580000 0.00000448370000 0.00002682430000 0.00001254960000 -0.00067280670000 0.00459164500000 0.05072238980000 0.12342212600000 0.42865364480000 1.88903358610000 0.50021531430000 0.04748321950000 0.02845800280000 0.00388098980000 0.01667882600000 0.00816457660000 0.00099484640000
* p-type functions
20 13
7287554.83440000
1193466.03500000
258103.05492000
69406.74827100
22097.94430200
8009.65008990
3204.92044640
1382.49192270
631.43087832
301.20872702
148.47067121
74.93729826
38.38842295
19.76166587
10.09641387
5.03688362
2.40147033
1.06396912
0.42255978
0.16782138
0.00003878380000 -0.00002114850000 0.00001039860000 -0.00000401420000 0.00000262020000 -0.00000429120000 0.00000593040000 -0.00000846540000 0.00001684280000 -0.00002799260000 0.00012489100000 -0.00005763050000 0.00031893730000
0.00014462590000 -0.00007899110000 0.00003885580000 -0.00001500120000 0.00000980330000 -0.00001608350000 0.00002200730000 -0.00003029320000 0.00006725830000 -0.00009167890000 0.00048506100000 0.00068695340000 0.00072229260000
0.00049146110000 -0.00026904060000 0.00013243530000 -0.00005113710000 0.00003333630000 -0.00005449340000 0.00007617740000 -0.00011310520000 0.00019818590000 -0.00039806890000 0.00164287120000 -0.00071191750000 0.00224023960000
0.00151725940000 -0.00083321880000 0.00041048790000 -0.00015853580000 0.00010384920000 -0.00017098050000 0.00022943410000 -0.00029261040000 0.00079997120000 -0.00074012520000 0.00537241010000 0.00736287620000 0.01159264550000
0.00454793850000 -0.00251126820000 0.00123925040000 -0.00047874630000 0.00031109420000 -0.00050608630000 0.00072803290000 -0.00118145880000 0.00147163050000 -0.00473135540000 0.01723898050000 0.00059440450000 0.02808462820000
0.01337522820000 -0.00744584880000 0.00368269830000 -0.00142366030000 0.00093649110000 -0.00155145070000 0.00201211490000 -0.00220529230000 0.00856210540000 -0.00313972300000 0.05522133030000 0.03990705340000 0.21678115450000
0.03806341780000 -0.02151605470000 0.01068950360000 -0.00413531270000 0.00267685620000 -0.00432925100000 0.00645427770000 -0.01152680250000 0.00867238270000 -0.05167168850000 0.17913902840000 0.15282066430000 0.18028943910000
0.09993798440000 -0.05797789300000 0.02902395910000 -0.01125145820000 0.00743758790000 -0.01241049510000 0.01553866030000 -0.01400474390000 0.07999039600000 0.00056492320000 0.43247962870000 -0.08067936930000 1.89485648670000
0.22008534430000 -0.13324612110000 0.06754729060000 -0.02624613880000 0.01690687330000 -0.02713515930000 0.04255609050000 -0.08522314170000 0.02155357750000 -0.42895909580000 1.04152789500000 1.61368333030000 -5.45221159330000
0.35327144390000 -0.22436781470000 0.11552254040000 -0.04508341710000 0.03024330570000 -0.05150828400000 0.05725101510000 -0.01161518550000 0.48650042780000 0.27162297810000 -1.93938634120000 -6.18923443830000 7.40672516900000
0.32386941520000 -0.17036514460000 0.08014152260000 -0.03046681900000 0.01786695970000 -0.02419645820000 0.06886762410000 -0.27686657960000 -0.61901516080000 -1.78693063620000 -0.33620746150000 11.10059332230000 -7.13949991150000
0.12618763910000 0.21197640230000 -0.17821307720000 0.07675235960000 -0.04692900190000 0.06929871830000 -0.19616130500000 0.74469649820000 1.00351390260000 6.82078364920000 2.88257806300000 -1.275885984910e1 5.70779400100000
0.02497293060000 0.56605644430000 -0.48439200710000 0.21256733640000 -0.15303001300000 0.28385773050000 -0.21165364610000 -0.66545338370000 -4.71335112110000 -1.105710105140e1 -3.47615573000000 10.90780824320000 -4.06999158880000
0.00866593140000 0.31731334750000 -0.12270411230000 0.02952777560000 0.00747361250000 -0.08740651160000 -0.20082736800000 2.13409076410000 9.46770754880000 10.83185988700000 2.67265996330000 -7.57113770970000 2.65133250880000
0.00079680000000 0.04754555780000 0.60650769740000 -0.37466666780000 0.23395453110000 -0.33614295360000 1.33590101370000 -5.92366003960000 -1.021399089840e1 -7.56250416770000 -1.61165331150000 4.49421399070000 -1.57208470550000
0.00013764380000 0.01083560630000 0.53023715370000 -0.38204242310000 0.34579847840000 -0.75015562270000 -0.42518573360000 8.25916203790000 7.15138274470000 4.13852116370000 0.83008590850000 -2.34539077000000 0.83692777890000
-0.00003687380000 0.00054326910000 0.07824730530000 0.36940194230000 -0.56736566480000 1.89516053100000 -2.24845113540000 -6.99106959430000 -3.68765398740000 -1.90035348830000 -0.37891551070000 1.08783298110000 -0.39552157820000
0.00002055530000 0.00027590060000 0.00214928640000 0.69289149720000 -0.49768522270000 -0.68804286280000 3.56207698410000 4.20523902420000 1.54759798760000 0.76973720700000 0.15536242040000 -0.45074221360000 0.16572340320000
-0.00000678010000 -0.00012568730000 -0.00006710190000 0.20774854600000 0.56887338170000 -1.23782603330000 -2.92561280650000 -2.04444745950000 -0.57988923290000 -0.28703259050000 -0.05851579820000 0.17061978240000 -0.06304417230000
0.00000219820000 0.00003475950000 0.00008513630000 0.00293266650000 0.65696491750000 1.24601850060000 1.32069728840000 0.70274799210000 0.17053400620000 0.08417960050000 0.01723280540000 -0.05032729900000 0.01862597830000
* d-type functions
15 13
8781.24617840
2421.90188420
856.61378709
357.49244535
165.41290586
81.12574019
40.86533047
20.68658873
10.35756545
5.05918713
2.37386466
1.04789026
0.42226316
0.14877419
0.05241698
0.00037702330000 -0.00021036200000 0.00005944660000 -0.00007477780000 0.00008854120000 -0.00009331200000 0.00005719460000 -0.00013908420000 0.00072379940000 -0.00010394740000 0.00488173280000 -0.00115405970000 0.03021169070000
0.00285829460000 -0.00160556700000 0.00045485290000 -0.00055687990000 0.00063875890000 -0.00094927250000 0.00100144310000 -0.00196031600000 0.00191187860000 -0.01102392680000 0.02489132340000 -0.06596707110000 -0.07036454690000
0.01619433610000 -0.00913990570000 0.00259016400000 -0.00325827160000 0.00385597880000 -0.00410300770000 0.00258212550000 -0.00626061810000 0.03179761330000 -0.00884204400000 0.22550053880000 -0.02860945110000 1.92587661630000
0.06390747670000 -0.03663868320000 0.01043161910000 -0.01278022920000 0.01465302590000 -0.02178930560000 0.02303081080000 -0.04546673750000 0.04918723110000 -0.26966531870000 0.81077175520000 -1.75121884860000 -3.25376361310000
0.17864817940000 -0.10405858970000 0.02970962030000 -0.03757002650000 0.04469007660000 -0.04570242440000 0.02603811140000 -0.06733673790000 0.40513054210000 0.06617368500000 0.25010580820000 4.48624132970000 3.43517542800000
0.33811254060000 -0.19593028160000 0.05597398970000 -0.06775878570000 0.07701305610000 -0.12972141820000 0.15219623400000 -0.28395844960000 -0.01541125830000 -1.83868150850000 -2.44075043020000 -5.89112994990000 -2.85467041800000
0.38142701140000 -0.18091783880000 0.04808741960000 -0.06390216440000 0.08226419720000 -0.01992390110000 -0.09392365410000 0.16218861570000 0.76621171870000 4.79854714000000 3.21426775260000 5.23883334900000 2.03848029660000
0.19520425870000 0.13145594040000 -0.05890666470000 0.08931881680000 -0.13024783010000 0.03228490860000 0.15482952460000 -0.11464516770000 -3.41593186340000 -5.76792784810000 -2.50808552360000 -3.58781789400000 -1.30449987680000
0.04477887440000 0.48590354490000 -0.18182047450000 0.21822913280000 -0.24703003130000 0.68110752500000 -1.03400336840000 1.75952108830000 4.77474961250000 4.46524445150000 1.47562666800000 2.06802681250000 0.76104804790000
0.01491353930000 0.41766554540000 -0.13136698800000 0.20140846740000 -0.32602739250000 -0.45524704530000 1.60441682860000 -3.52351672780000 -3.83146796280000 -2.60306465090000 -0.74396385340000 -1.06672781250000 -0.40620537540000
0.00333644950000 0.10462662090000 0.20114901020000 -0.51005120100000 1.34965453110000 -1.10492472590000 -0.98414870230000 3.56015145500000 2.24513552100000 1.26936723610000 0.34385229050000 0.50600354610000 0.19772392640000
0.00021443220000 0.00528219360000 0.46676229340000 -0.55776072390000 -0.73658566790000 2.01869268540000 -0.04714497720000 -2.57487502360000 -1.10599567250000 -0.55353640940000 -0.14768626970000 -0.22055157080000 -0.08727940580000
-0.00001018460000 0.00118934600000 0.42259757270000 0.55681161800000 -0.60365868110000 -1.61342048830000 0.79805992080000 1.63424426420000 0.49751436990000 0.22276254530000 0.05847583500000 0.08783387400000 0.03492996680000
0.00000909370000 0.00017609330000 0.15835591580000 0.50348339390000 0.82124241540000 0.58038550580000 -1.29293827620000 -1.06557321030000 -0.22457793270000 -0.08687363600000 -0.02197957820000 -0.03309272950000 -0.01319039190000
-0.00000242580000 0.00003950050000 0.00156619030000 0.01780289270000 0.09769495430000 0.32022323950000 1.24053316160000 0.60687912720000 0.09332018870000 0.03002584960000 0.00713495430000 0.01076175020000 0.00429809430000
* f-type functions
10 10
619.36369682
211.42037279
89.76998469
42.26617904
20.75391942
10.30849573
5.06404312
2.37030053
0.98081976
0.40585883
0.00097874540000 -0.00034619430000 0.00043330130000 -0.00002233610000 0.00240440300000 -0.00741738860000 0.00119052250000 -0.04098230730000 0.03528660600000 -1.29465718230000
0.00872308200000 -0.00280679630000 0.00308729300000 -0.00450763390000 -0.01920190270000 -0.01394317680000 -0.16459682960000 -0.16640951850000 1.55815628740000 1.29887648020000
0.04114679410000 -0.01434331570000 0.01750526140000 -0.00386162960000 0.07126276760000 -0.25470777090000 -0.09989757640000 -1.56685877800000 -2.31807168760000 -1.13605236960000
0.12582052490000 -0.04054863270000 0.04503547680000 -0.06671894990000 -0.27475790150000 -0.25594544500000 -1.54673623940000 2.80556182690000 2.13603931450000 0.88585806600000
0.26175966470000 -0.09573445150000 0.13330113750000 -0.05925994740000 0.49130340410000 -1.16267096050000 3.06212810780000 -2.60629341780000 -1.49939753520000 -0.60784002860000
0.35470583670000 -0.11253078590000 0.14585859200000 -0.38275557620000 -1.95870420940000 2.16983854680000 -2.79281906900000 1.70462982060000 0.88099710080000 0.36872062160000
0.32691484840000 -0.12597472700000 0.24924604430000 0.08799469160000 3.15320749710000 -1.36385330680000 1.63138793490000 -0.87986671490000 -0.45048069380000 -0.19561444670000
0.17977435820000 0.20223950640000 -0.80697837630000 1.24531848680000 -2.43320427110000 0.56490169400000 -0.71130938010000 0.37687514710000 0.19756546830000 0.08777598350000
0.04162993840000 0.54903377310000 -0.27883173950000 -1.71075523370000 1.28393431230000 -0.21501241240000 0.26781418540000 -0.14367710870000 -0.07661535890000 -0.03439069860000
0.00117538600000 0.42646411000000 0.87879642170000 1.01639939060000 -0.50349179520000 0.06806754700000 -0.08673807180000 0.04687848040000 0.02512996300000 0.01131765360000
* g-type functions
4 4
2.74455363
1.42111964
0.71245008
0.30626788
0.19566164200000 -0.58419118360000 1.08081113950000 -1.30627401550000
0.53330185140000 -0.36463512840000 -0.98729044190000 2.41715339250000
0.34750863940000 0.69526224840000 -0.25038451120000 -2.19894290390000
0.11084993560000 0.35246873370000 0.85834276980000 1.11731770890000
* h-type functions
3 3
2.62669145
1.38137396
0.60017776
0.28379724270000 -0.86572754680000 1.26630438990000
0.57297356910000 0.14166801740000 -1.77847454110000
0.32533536140000 0.73163156830000 1.05965288790000
/Hg.ANO-R.Zobel.25s20p15d9f4g3h.16s14p13d8f4g3h.
J.P. Zobel, P.-O. Widmark, V. Veryazov. J. Chem. Theory Comput. 16 (2020) 278-294. doi:10.1021/acs.jctc.9b00873
MERCURY (25s,20p,15d,9f,4g,3h) -> [16s,14p,13d,8f,4g,3h]
80.0 5
* s-type functions
25 16
59141309.44500000
14670960.27600000
4188418.71530000
1335488.63910000
464279.71612000
172700.00167000
67759.87037300
27751.20044000
11777.32174700
5154.11831580
2318.73994540
1070.14254300
505.79961271
244.32502639
120.24365550
60.00090837
30.13648324
15.07796466
7.40832499
3.50807293
1.56301112
0.63591861
0.22777798
0.06874448
0.02074741
0.00064200950000 -0.00000672200000 0.00013355900000 -0.00009620320000 0.00002665080000 -0.00000752840000 0.00001212830000 -0.00001673400000 0.00001599280000 -0.00003008020000 0.00007203720000 -0.00013817130000 0.00025588640000 -0.00044852200000 0.00517176010000 -0.02120338120000
0.00168159050000 -0.00001795690000 0.00035037130000 -0.00025230010000 0.00006989510000 -0.00001974600000 0.00003180440000 -0.00004387840000 0.00004207320000 -0.00007962460000 0.00018584860000 -0.00037236880000 0.00069611370000 -0.00120337660000 -0.00837680740000 -0.00626716640000
0.00346427750000 -0.00003836060000 0.00072382060000 -0.00052091740000 0.00014427860000 -0.00004075420000 0.00006566420000 -0.00009061010000 0.00008639350000 -0.00016176010000 0.00039459520000 -0.00073370990000 0.00141630400000 -0.00200251660000 0.01126241150000 -0.03874916810000
0.00653328700000 -0.00007741300000 0.00137290810000 -0.00098698880000 0.00027337680000 -0.00007724140000 0.00012437700000 -0.00017156270000 0.00016525870000 -0.00031547360000 0.00071013810000 -0.00150968630000 0.00266385610000 -0.00564266230000 -0.02227326330000 -0.00018074430000
0.01212230800000 -0.00016023810000 0.00257178600000 -0.00184521750000 0.00051070640000 -0.00014422930000 0.00023250630000 -0.00032094950000 0.00030344330000 -0.00055886020000 0.00145485920000 -0.00241376200000 0.00530501740000 -0.00680648170000 0.14075143130000 -0.39645277800000
0.02221331270000 -0.00034264950000 0.00478890830000 -0.00342589520000 0.00094839180000 -0.00026807080000 0.00043128860000 -0.00059460530000 0.00058095070000 -0.00113818050000 0.00228218290000 -0.00580729070000 0.00733570580000 -0.01285435300000 -0.40421330450000 1.24764702590000
0.04107791550000 -0.00078115870000 0.00907228480000 -0.00645861510000 0.00178429170000 -0.00050363200000 0.00081302850000 -0.00112319030000 0.00103776250000 -0.00182397400000 0.00562618490000 -0.00676649820000 0.02527426530000 -0.04138921380000 0.64156719400000 -1.53099039990000
0.07589343230000 -0.00186099540000 0.01741806680000 -0.01231854630000 0.00340591510000 -0.00096359010000 0.00154721090000 -0.00213112950000 0.00215002890000 -0.00444773950000 0.00670466150000 -0.02541982330000 0.00894079050000 -0.04787191190000 0.10298249730000 3.06549688960000
0.13795386980000 -0.00469271390000 0.03360910340000 -0.02351295660000 0.00647076220000 -0.00182447150000 0.00295402210000 -0.00408633360000 0.00359401180000 -0.00565224170000 0.02447869130000 -0.01239830160000 0.12339851130000 -0.08593326040000 0.02738273350000 -6.54088388980000
0.23382609250000 -0.01179607070000 0.06311309340000 -0.04350452480000 0.01199942650000 -0.00340148930000 0.00543931310000 -0.00748129560000 0.00804328260000 -0.01829043710000 0.01289401480000 -0.12415238890000 -0.01977574210000 -0.45643345240000 1.17794899100000 11.43563967010000
0.33330622020000 -0.02723560440000 0.10617640300000 -0.07161673670000 0.01957084070000 -0.00550383540000 0.00898028680000 -0.01246003490000 0.00954439720000 -0.00959793780000 0.10608292160000 0.04857859610000 0.73672449290000 0.24937419660000 -1.40750887140000 -1.687592090190e1
0.31889090290000 -0.03824630410000 0.12304257400000 -0.08188583860000 0.02271752520000 -0.00650017070000 0.01018152630000 -0.01390047910000 0.01960564070000 -0.05913400850000 -0.07682430360000 -0.54251716610000 -0.94210935270000 -1.82259946680000 -3.11132010390000 20.57648437740000
0.11394668000000 0.02740996440000 -0.03413073610000 0.02166818510000 -0.00700324490000 0.00219302450000 -0.00278566060000 0.00347330530000 -0.01945382610000 0.09334265260000 0.33175882600000 1.11515376780000 1.73543572990000 8.91804689930000 8.44407475360000 -2.084685458220e1
-0.09191289830000 0.19447205080000 -0.47723277000000 0.34729239480000 -0.10314936890000 0.02896848090000 -0.04873302210000 0.06856656470000 -0.02635022280000 -0.08842779640000 -1.18410680390000 -1.58566329800000 -8.19699249100000 -1.669999112150e1 -1.052401374730e1 18.18288659090000
-0.11245351810000 0.14359488160000 -0.65852108190000 0.57167923090000 -0.19111583040000 0.05607202290000 -0.08632172390000 0.11785429530000 -0.20787353270000 0.72267620430000 1.42403760820000 6.84126018670000 16.96625828590000 19.33575384160000 9.53282242910000 -1.420975940400e1
-0.03809135750000 0.19085333390000 0.03123789430000 -0.19056152130000 0.09597747780000 -0.03084345900000 0.04068781300000 -0.05339387320000 0.26285406940000 -1.23247670230000 -3.80200486190000 -1.649328830010e1 -2.028449764910e1 -1.680834272570e1 -7.22817848810000 10.23862618830000
-0.02352748490000 0.40417470790000 0.43723559730000 -1.28798840560000 0.61403613750000 -0.17893404530000 0.31534972820000 -0.45850294450000 0.02298791090000 1.42878931140000 11.47016270560000 21.68465243000000 17.12497387180000 12.06917882090000 4.86876708250000 -6.86473053880000
-0.00717509830000 0.13440555310000 0.19237191710000 -0.19344681560000 0.07931749220000 -0.03310388460000 0.00852932280000 0.02055859140000 0.79872556990000 -4.36713761000000 -1.849850207300e1 -1.856254800500e1 -1.140260453180e1 -7.51695313340000 -2.97405907460000 4.24714546790000
-0.00016551410000 0.06918264710000 0.30311880850000 1.03640558540000 -1.07689245880000 0.38191142820000 -0.57937470060000 0.83775226150000 -2.42291120230000 10.08690538280000 17.63531811000000 11.68840000420000 6.38135506230000 4.15023049850000 1.64609228780000 -2.38490058680000
0.00000166800000 0.02061297540000 0.09769728320000 0.34349862240000 -0.39729626330000 0.11723798060000 -0.34874379380000 0.61370087470000 1.97765495850000 -1.296737692120e1 -1.118501741280e1 -5.91276983170000 -3.11883171930000 -2.04562829750000 -0.81840942060000 1.19790653870000
0.00000780870000 -0.00002415170000 0.00082100850000 0.01454345540000 1.09641401030000 -0.52315539900000 1.52756648080000 -3.48027443540000 0.79469963030000 10.45629073370000 5.28347195020000 2.56376535160000 1.36028140360000 0.90244420620000 0.36365837930000 -0.53529994920000
0.00001300950000 0.00019466290000 0.00250421870000 0.01427535700000 0.42596043630000 -0.40309633120000 -0.32543768470000 3.96964457860000 -2.99836394360000 -6.05490780690000 -2.07684738950000 -0.99735545920000 -0.53687362140000 -0.35885978110000 -0.14520963690000 0.21431119740000
-0.00000264210000 -0.00003938540000 -0.00046534280000 -0.00196951740000 -0.00763560090000 0.60686521000000 -1.62228417820000 -1.84523279780000 3.35875628690000 2.91590484360000 0.74116879820000 0.35925576100000 0.19523458890000 0.13096099500000 0.05309330400000 -0.07844574680000
0.00000102040000 0.00001278780000 0.00016794750000 0.00074389640000 0.00626314050000 0.71692198040000 1.12136747420000 -0.31812071660000 -2.84682594360000 -1.37739735490000 -0.25761278510000 -0.12510810400000 -0.06830881590000 -0.04587998690000 -0.01861492640000 0.02751635140000
-0.00000029860000 -0.00000371290000 -0.00004851760000 -0.00021496260000 -0.00162992920000 -0.00874182530000 0.24955041360000 0.90438886730000 1.60827752770000 0.54695135220000 0.07494784990000 0.03612200050000 0.01976788300000 0.01328148220000 0.00539047110000 -0.00796994630000
* p-type functions
20 14
7679183.71070000
1262894.26910000
273713.86590000
73649.20613700
23435.27403400
8482.56311080
3387.72673360
1458.26754050
664.66185100
316.48961365
155.79613351
78.58288929
40.26347225
20.75178372
10.62748765
5.32154140
2.55044975
1.13778156
0.45584067
0.18262795
0.00003981870000 -0.00002021160000 0.00001095410000 -0.00000428690000 0.00000137390000 -0.00000332780000 0.00000524940000 -0.00000774650000 0.00001903160000 -0.00003017850000 0.00013139030000 -0.00010562080000 0.00301882660000 -0.00311855990000
0.00014820710000 -0.00007535550000 0.00004085440000 -0.00001599020000 0.00000513460000 -0.00001241350000 0.00001970280000 -0.00002689310000 0.00007492450000 -0.00010093490000 0.00043600210000 0.00115007620000 -0.01331582560000 0.00953796150000
0.00050034120000 -0.00025499780000 0.00013832620000 -0.00005414880000 0.00001731690000 -0.00004203610000 0.00006585300000 -0.00010545730000 0.00022599270000 -0.00042559060000 0.00172454190000 -0.00132758210000 0.03992891370000 -0.04296386430000
0.00153361610000 -0.00078417840000 0.00042566500000 -0.00016667160000 0.00005372040000 -0.00012942710000 0.00020787210000 -0.00023990570000 0.00086132620000 -0.00082609960000 0.00478413170000 0.01182930700000 -0.14460183720000 0.10172622560000
0.00456217330000 -0.00234581110000 0.00127501790000 -0.00049939710000 0.00015888140000 -0.00038757600000 0.00059693740000 -0.00114947590000 0.00174592630000 -0.00495484750000 0.01764430500000 -0.00825780640000 0.41173973430000 -0.40567284260000
0.01333013010000 -0.00691202900000 0.00376377780000 -0.00147531550000 0.00047851280000 -0.00114671980000 0.00187849510000 -0.00149914390000 0.00888520810000 -0.00385449160000 0.04871720310000 0.09411227410000 -1.29317733400000 0.56113555370000
0.03778465210000 -0.01989756950000 0.01087272510000 -0.00426533690000 0.00134862520000 -0.00330863810000 0.00499090160000 -0.01172085600000 0.01136289810000 -0.05404317080000 0.17445149810000 -0.03031204890000 2.71119977160000 -2.78615991130000
0.09922292450000 -0.05364930490000 0.02949555740000 -0.01159785470000 0.00378717140000 -0.00903048710000 0.01510274280000 -0.00660475270000 0.08110684050000 -0.00414171130000 0.40153008910000 0.57724735090000 -5.82039404390000 3.76290435470000
0.21967341910000 -0.12400539250000 0.06886258450000 -0.02714800670000 0.00851391530000 -0.02105598610000 0.03086213510000 -0.09151403970000 0.04238957550000 -0.45211151800000 1.00681793540000 0.55078723270000 9.19015496100000 -2.51394807020000
0.35666660770000 -0.21151654780000 0.11901660780000 -0.04715151120000 0.01571356730000 -0.03689574670000 0.06561445770000 0.03729012970000 0.47202543780000 0.36883076520000 -1.61564018860000 -4.93975285960000 -1.085777989420e1 0.96038935170000
0.33225759290000 -0.16522115300000 0.08655802540000 -0.03339670250000 0.00920357370000 -0.02536813580000 0.02151286510000 -0.37774055710000 -0.53928202470000 -1.95997243270000 -0.97974252080000 9.73027462230000 10.50660752850000 -0.13842108260000
0.12575153370000 0.20030006650000 -0.17367900980000 0.07694239620000 -0.02152168130000 0.06052210180000 -0.05618630430000 0.93713957460000 0.84421115090000 7.03131848390000 3.66750730420000 -1.140499546260e1 -8.79027834220000 -0.09093384550000
0.01113073850000 0.55519550670000 -0.49264338170000 0.22215128200000 -0.08073481210000 0.18177755260000 -0.40052056270000 -1.27295594270000 -4.58761583300000 -1.130442434680e1 -4.19516400460000 9.79123687640000 6.53254589270000 0.08739186560000
0.00037417920000 0.32408585960000 -0.14613928860000 0.04063492240000 0.00450267250000 0.02051886190000 0.20510997760000 3.45674688820000 9.17865147470000 11.10685934210000 3.20451171250000 -6.81467355070000 -4.36296649260000 -0.04363267420000
-0.00071728770000 0.06183719840000 0.59247624260000 -0.38421115900000 0.10171639160000 -0.33314009030000 0.18540730780000 -7.54904930530000 -9.47555672770000 -7.79324960070000 -1.94159853600000 4.06525916010000 2.61931783370000 0.01482176900000
-0.00035830660000 0.02149651080000 0.53628057740000 -0.40548959500000 0.19998879920000 -0.40662489890000 1.62396684350000 9.23601544460000 6.20265731730000 4.27790057110000 1.00669363940000 -2.13581345480000 -1.40368520590000 -0.00301856750000
-0.00009091430000 0.00215902900000 0.08728455330000 0.36676642660000 -0.26542477020000 0.65914341680000 -4.29046908930000 -6.93040678780000 -2.98308040700000 -1.96657002710000 -0.46219380210000 0.99712873830000 0.66641904400000 -0.00010339460000
0.00001675550000 0.00031903520000 0.01028316540000 0.70017235480000 -0.17127827920000 1.09022356290000 4.46201687090000 3.61156512620000 1.19157811230000 0.79705851830000 0.19030373660000 -0.41504400380000 -0.28012700600000 0.00040285840000
-0.00000407750000 -0.00013692260000 0.00234848960000 0.20594967300000 -0.36729359420000 -2.42757176190000 -2.69869792160000 -1.48999877270000 -0.43357058030000 -0.29693827560000 -0.07173377420000 0.15724520620000 0.10661113050000 -0.00021778850000
0.00000155050000 0.00003813080000 0.00009350620000 0.00263295700000 1.26164620440000 1.30762973310000 0.93383096520000 0.44510653270000 0.12502283050000 0.08667330910000 0.02103630030000 -0.04619597820000 -0.03137079640000 0.00007096290000
* d-type functions
15 13
9533.03477730
2618.82929820
924.01206315
385.10296878
178.11607107
87.41104822
44.12001130
22.42269717
11.30196807
5.57786939
2.65714232
1.19805213
0.49679725
0.18173831
0.06648349
0.00035520860000 -0.00019049010000 0.00005813600000 -0.00006694320000 0.00008548760000 -0.00011367810000 0.00006176450000 -0.00009509410000 0.00070853460000 -0.00005662040000 0.00412642680000 -0.00867115190000 0.01880055880000
0.00267231590000 -0.00144167200000 0.00044073420000 -0.00050262910000 0.00058091740000 -0.00079115500000 0.00059566200000 -0.00222416080000 0.00024519780000 -0.01218750810000 0.02106282890000 -0.05363698590000 -0.20225366620000
0.01515468090000 -0.00822071800000 0.00251493250000 -0.00289818170000 0.00370017940000 -0.00492907740000 0.00270099900000 -0.00435108420000 0.03048353030000 -0.00894047840000 0.25284253500000 -0.15395186700000 2.06638256290000
0.06024023740000 -0.03316348080000 0.01018126470000 -0.01162731630000 0.01347351870000 -0.01841707470000 0.01386126650000 -0.05167421400000 0.00898615880000 -0.29622471250000 0.78722385580000 -1.52905626480000 -3.49867518750000
0.17114609320000 -0.09587381800000 0.02952242680000 -0.03416884890000 0.04433836540000 -0.05944350560000 0.03173503630000 -0.04232305330000 0.40238029200000 0.02113024070000 0.24959163340000 4.28331530840000 3.83362901150000
0.33169423980000 -0.18516401530000 0.05704131580000 -0.06480252730000 0.07176468650000 -0.09822521810000 0.08215173260000 -0.35727627320000 -0.18934240750000 -1.82922243350000 -2.46027169850000 -5.80068473330000 -3.31235555370000
0.38865807100000 -0.18282690290000 0.05348711560000 -0.06119735060000 0.08827350210000 -0.10499749070000 0.01568092210000 0.29661296730000 1.36391180600000 4.71918377520000 3.32940080770000 5.27318746340000 2.43193359640000
0.20765905950000 0.10732026310000 -0.05191331090000 0.07091311140000 -0.14120001860000 0.21044610970000 -0.04350102640000 -0.53340263780000 -4.21761671200000 -5.42772474140000 -2.70546968250000 -3.69759252180000 -1.58204103210000
0.04078102030000 0.47095813530000 -0.18449049060000 0.21357910360000 -0.18781507670000 0.27562352140000 -0.39260552160000 2.62331448990000 5.38612727520000 4.00143750150000 1.67295067700000 2.18996991370000 0.93505946910000
0.00719949930000 0.43638206020000 -0.15089972900000 0.16576209940000 -0.31610038050000 0.28172760380000 0.29899674920000 -4.46718748140000 -4.08434269970000 -2.24838734260000 -0.88475153020000 -1.16193892350000 -0.50752761490000
0.00146866670000 0.12188067710000 0.18133258390000 -0.34588150990000 0.98691100530000 -1.86984810750000 0.67438065870000 4.07518455000000 2.22375843820000 1.08001373710000 0.42429874350000 0.56587448870000 0.25245307780000
0.00015484440000 0.00613757470000 0.46845610580000 -0.65319326740000 -0.04740961160000 2.30478070220000 -1.49548790760000 -2.55380123200000 -0.99139922700000 -0.47190750760000 -0.18712933650000 -0.25251541270000 -0.11408167160000
-0.00002770350000 0.00056688940000 0.42817733920000 0.45326561240000 -1.15711060340000 -1.35522561380000 1.72751524530000 1.29847019780000 0.39803769170000 0.19037641230000 0.07565552120000 0.10265611730000 0.04665291740000
0.00001200730000 -0.00015859430000 0.15897384670000 0.62394375200000 0.95867432520000 0.12229986010000 -1.74219968840000 -0.62984720540000 -0.15465489670000 -0.07317534530000 -0.02888947680000 -0.03925601410000 -0.01788709200000
-0.00000385140000 0.00005203830000 0.00292135520000 0.01755729680000 0.12248145000000 0.56398048500000 1.33666095450000 0.26915518980000 0.05241100800000 0.02407456450000 0.00936477980000 0.01271574310000 0.00580368180000
* f-type functions
9 8
449.86392098
152.98402021
64.36306643
29.70206214
14.17171198
6.77156803
3.11729480
1.27687842
0.52302352
0.00230009240000 -0.00071300990000 0.00069699090000 -0.00048481990000 0.01041552120000 -0.00312390300000 0.05148402590000 -1.28572277910000
0.01902031450000 -0.00625753850000 0.00768258730000 0.01316500590000 -0.01365620600000 0.11744081200000 -1.34703837350000 1.16836390290000
0.07981981810000 -0.02489215960000 0.02466149030000 -0.01120085810000 0.35895473710000 0.11367173660000 2.62564003700000 -0.91229003160000
0.21224411130000 -0.07121451420000 0.09312846050000 0.19019302630000 -0.16820324480000 1.50363241960000 -2.79431474000000 0.63690516210000
0.35073558760000 -0.11134691380000 0.12929185340000 -0.05349362120000 1.47267593090000 -2.57411284340000 1.96136823880000 -0.39540825190000
0.37151593790000 -0.12875523290000 0.23051821170000 0.88513348320000 -2.47440602120000 1.96325882480000 -1.00873573000000 0.21605252080000
0.23623071720000 0.06383345460000 -0.30932251140000 -2.02839496760000 1.59093861540000 -1.00211860620000 0.42381059830000 -0.09997464590000
0.06221974280000 0.49261637540000 -0.92564153510000 1.74631765990000 -0.64017471080000 0.40629625740000 -0.16090940230000 0.04000690660000
0.00215661330000 0.56761941040000 1.08643112450000 -0.78727422240000 0.20678147380000 -0.13155574160000 0.05262402200000 -0.01328970450000
* g-type functions
4 4
2.84602707
1.47768487
0.74548973
0.32501277
0.11129108220000 -0.29918014370000 0.64660253860000 -1.66928746360000
0.46435292180000 -0.71549897800000 0.08250591690000 2.59644021800000
0.45615503800000 0.59784911870000 -1.18390148130000 -1.94721441810000
0.15159966500000 0.51325873710000 1.12283446950000 0.80366025250000
* h-type functions
3 3
2.33687765
1.24819410
0.57475680
0.21049185950000 -0.36236419640000 1.55926461490000
0.58656404120000 -0.60058087650000 -1.82139721410000
0.36333549590000 1.08537653610000 0.81831681120000
/Tl.ANO-R.Zobel.25s22p16d9f4g4h.16s15p13d8f4g4h.
J.P. Zobel, P.-O. Widmark, V. Veryazov. J. Chem. Theory Comput. 16 (2020) 278-294. doi:10.1021/acs.jctc.9b00873
THALLIUM (25s,22p,16d,9f,4g,4h) -> [16s,15p,13d,8f,4g,4h]
81.0 5
* s-type functions
25 16
59499141.79100000
14923497.22900000
4288934.55380000
1373371.66880000
479015.96195000
178752.64673000
70388.17842000
28947.67926900
12341.49177700
5426.45613050
2452.05081320
1135.85525410
538.25926792
260.33955331
128.11980822
63.86194440
32.02920908
16.01385354
7.88186417
3.75652092
1.69762273
0.70865889
0.26467600
0.08512241
0.02737621
0.00044989590000 -0.00045576360000 0.00024845440000 -0.00008762450000 0.00002854730000 -0.00000873780000 0.00000307420000 -0.00001735390000 0.00002190860000 -0.00003479860000 0.00006857540000 -0.00016145690000 0.00027188630000 -0.00358295480000 0.00119661480000 -0.09014918710000
0.00117347160000 -0.00118936530000 0.00064882220000 -0.00022888610000 0.00007457880000 -0.00002282910000 0.00000803020000 -0.00004532830000 0.00005729640000 -0.00009164540000 0.00017510610000 -0.00043625560000 0.00108668500000 0.01796240490000 -0.03485797640000 0.11506834060000
0.00240723260000 -0.00244212180000 0.00133385340000 -0.00047074770000 0.00015338540000 -0.00004694680000 0.00001652040000 -0.00009325750000 0.00011763620000 -0.00018591260000 0.00037437130000 -0.00085239980000 0.00129188610000 -0.04713731900000 0.07108118950000 -0.07699118220000
0.00451089810000 -0.00458466910000 0.00251048260000 -0.00088686260000 0.00028909630000 -0.00008850710000 0.00003112130000 -0.00017567210000 0.00022242030000 -0.00035921270000 0.00065729190000 -0.00173836570000 0.00460369810000 0.09948552960000 -0.11025480620000 0.38061322070000
0.00830514590000 -0.00846827750000 0.00465641750000 -0.00164730390000 0.00053698500000 -0.00016433310000 0.00005786560000 -0.00032666580000 0.00041082840000 -0.00063753940000 0.00138462520000 -0.00281642050000 0.00598746880000 -0.24260081850000 -0.00849023980000 -1.78210498540000
0.01505694490000 -0.01543261610000 0.00854686690000 -0.00303177660000 0.00098958120000 -0.00030309280000 0.00010646050000 -0.00060090860000 0.00076482790000 -0.00127233830000 0.00201841000000 -0.00649541880000 0.00893821560000 0.57522202280000 0.38165636030000 4.32016159170000
0.02746567330000 -0.02838957670000 0.01588967470000 -0.00565669680000 0.00184606520000 -0.00056473820000 0.00019918600000 -0.00112472420000 0.00140267820000 -0.00206684690000 0.00545311460000 -0.00797027470000 0.02832443130000 -1.21732464380000 -0.44572916960000 -7.34601668880000
0.04986466000000 -0.05220925810000 0.02973136160000 -0.01065234070000 0.00348790800000 -0.00106937550000 0.00037474550000 -0.00211453410000 0.00272531720000 -0.00483714340000 0.00520880320000 -0.02782449980000 0.02218156720000 1.64272835250000 -0.31504052110000 8.11641199070000
0.08861242850000 -0.09485477670000 0.05546252720000 -0.02005038200000 0.00656285200000 -0.00200623420000 0.00070987300000 -0.00401152390000 0.00491250200000 -0.00641440980000 0.02457097690000 -0.01573889130000 0.14353466150000 -2.20759207010000 2.04815518750000 -7.17602301670000
0.14575140800000 -0.16206718700000 0.09933888150000 -0.03652733530000 0.01205497540000 -0.00370427830000 0.00129229860000 -0.00728482280000 0.00963950960000 -0.01926077720000 0.00433038830000 -0.13234148440000 0.00121344230000 3.34958080330000 -7.36370521970000 6.29344810250000
0.19867421480000 -0.23765316210000 0.15732593250000 -0.05937639620000 0.01960443690000 -0.00598299800000 0.00213349930000 -0.01208563170000 0.01410537350000 -0.01205069360000 0.11295576760000 0.03969814400000 0.74742907670000 -5.38321324410000 12.98100360260000 -7.34980492700000
0.18223736610000 -0.23918940400000 0.17463386850000 -0.06825526100000 0.02303257250000 -0.00714247200000 0.00243989840000 -0.01367898960000 0.02037882930000 -0.05977088520000 -0.11611286300000 -0.56083864850000 -0.59472973790000 4.35796948840000 -1.481849504540e1 10.84440887880000
0.10743265400000 -0.06975497290000 -0.00440786800000 0.01061749490000 -0.00491586730000 0.00172508560000 -0.00042504800000 0.00213358040000 -0.01055466920000 0.08596305860000 0.42025288310000 1.21912164110000 0.14414852590000 3.19112307840000 14.91686967130000 -1.417171184050e1
0.14445475480000 0.16862994280000 -0.48547222580000 0.27355186950000 -0.09954673520000 0.03045000110000 -0.01115964600000 0.06410531870000 -0.06264828360000 -0.06698052460000 -1.32447681910000 -1.77511462140000 -5.25043158310000 -1.255444918140e1 -1.470060344340e1 15.02837758780000
0.13532049800000 0.14672922270000 -0.73003462750000 0.49208592530000 -0.19453755430000 0.06192966720000 -0.02078075560000 0.11643334740000 -0.19419762190000 0.71125053830000 1.94106055630000 7.11219041980000 13.44938127310000 17.27725654710000 13.36118438560000 -1.336175840300e1
0.09160799510000 0.15980233760000 0.01741659820000 -0.13629294070000 0.07465443680000 -0.02647959370000 0.00707582130000 -0.03781581730000 0.15305445480000 -1.14134763950000 -5.03515169100000 -1.653597456300e1 -1.712237025630e1 -1.616670315550e1 -1.071236066230e1 10.34765527570000
0.16401731940000 0.34949028680000 0.61038375340000 -1.22159046660000 0.61967917470000 -0.19758023270000 0.07446154370000 -0.44172312260000 0.37688408510000 1.17766640580000 13.15808526980000 21.13090712150000 14.84317715650000 11.99309759910000 7.57589962220000 -7.16338333770000
0.05685856130000 0.12328816890000 0.23119664860000 -0.23713289410000 0.12257354460000 -0.04959546460000 0.00832169560000 -0.01930485190000 0.40047158970000 -4.18468985250000 -2.019931256650e1 -1.762512048970e1 -1.004609529660e1 -7.59451800710000 -4.78920720640000 4.49213903930000
0.02463115180000 0.05451912210000 0.17889844350000 1.06852267240000 -1.08333387680000 0.41838916860000 -0.13229367750000 0.79143902610000 -1.91348058880000 10.34548170280000 19.23271632300000 10.91428749850000 5.72279093980000 4.26368168900000 2.72689439400000 -2.55566233210000
0.00782100570000 0.01790555510000 0.06119345200000 0.37957887640000 -0.45596426060000 0.15671049800000 -0.08536002090000 0.57260558850000 0.56702030360000 -1.372953919340e1 -1.256795495400e1 -5.53861890330000 -2.87064477260000 -2.15532258420000 -1.39855387990000 1.31261070920000
-0.00016617110000 -0.00056971320000 -0.00198011100000 0.01374600310000 1.09622564270000 -0.58287471460000 0.26606619240000 -2.52523895090000 3.35694409190000 11.36426902830000 6.24372493520000 2.46589122650000 1.29750177920000 0.98469070220000 0.64503955170000 -0.60620649460000
0.00000667340000 0.00007763170000 0.00059098460000 0.01511866620000 0.45603685140000 -0.46400746780000 0.08768631410000 1.35248551290000 -5.56823804080000 -6.68582967650000 -2.59578465280000 -0.99974848650000 -0.53376238530000 -0.40783746060000 -0.26846594050000 0.25249323610000
-0.00001475720000 -0.00006133090000 -0.00029383750000 -0.00224604740000 -0.00671802470000 0.67552950610000 -0.08626970910000 1.49541570660000 4.67497923530000 3.13081958930000 0.97180580350000 0.37578111790000 0.20200708330000 0.15481213440000 0.10212384810000 -0.09608055890000
0.00000447580000 0.00002016020000 0.00010117620000 0.00086262460000 0.00563944330000 0.69143884670000 -1.20677326330000 -2.14914439900000 -2.66174653190000 -1.27679119540000 -0.34623480630000 -0.13436917280000 -0.07240200470000 -0.05554575020000 -0.03667097830000 0.03450551940000
-0.00000124570000 -0.00000569920000 -0.00002882970000 -0.00024712150000 -0.00162540160000 -0.00690781390000 1.64712856850000 0.87440072150000 0.88688041500000 0.38161087890000 0.09892824980000 0.03845130330000 0.02073271590000 0.01591067960000 0.01050669550000 -0.00988666990000
* p-type functions
22 15
8003371.56430000
1329363.09130000
288989.89227000
77685.28449200
24650.48869400
8893.71457640
3541.93230860
1521.51168590
692.59373552
329.54424759
162.13605762
81.72816711
41.83544337
21.53632505
11.01817904
5.51770996
2.65169389
1.19199908
0.48508461
0.17152954
0.05010525
0.01463617
0.00003995320000 -0.00002130050000 0.00001242290000 -0.00000453490000 0.00000111420000 -0.00000240280000 0.00000342670000 -0.00000480530000 0.00000104930000 -0.00000717910000 0.00002008810000 -0.00002165460000 0.00046401780000 -0.00399589910000 0.00548274120000
0.00014758930000 -0.00007881200000 0.00004598370000 -0.00001678870000 0.00000412460000 -0.00000889450000 0.00001273920000 -0.00001786660000 0.00000392320000 -0.00002442050000 0.00007868410000 -0.00009834830000 -0.00092635480000 0.01773186090000 -0.02051478140000
0.00049618300000 -0.00026555340000 0.00015504010000 -0.00005661920000 0.00001391180000 -0.00003000520000 0.00004259260000 -0.00005971970000 0.00001295800000 -0.00009762260000 0.00023577500000 -0.00044837530000 0.00304119150000 -0.05839031630000 0.07029867510000
0.00151462120000 -0.00081315950000 0.00047512580000 -0.00017356730000 0.00004264070000 -0.00009194200000 0.00013277580000 -0.00018625650000 0.00004132040000 -0.00020991240000 0.00089949060000 -0.00046527840000 -0.00103541470000 0.18941818910000 -0.21737945610000
0.00448653220000 -0.00242149180000 0.00141700640000 -0.00051791390000 0.00012728370000 -0.00027457360000 0.00038503150000 -0.00053999430000 0.00011533930000 -0.00107936130000 0.00180058960000 -0.00577124890000 0.01437422960000 -0.54654156720000 0.74055803130000
0.01305200160000 -0.00710099840000 0.00416422620000 -0.00152345790000 0.00037427660000 -0.00080694800000 0.00118268290000 -0.00165873510000 0.00037421130000 -0.00117685660000 0.00924988090000 -0.00000032830000 0.00117716470000 1.17732149860000 -1.77017991740000
0.03685226660000 -0.02034494790000 0.01197897250000 -0.00438833630000 0.00107894810000 -0.00232781280000 0.00321249300000 -0.00451068160000 0.00094395940000 -0.01117956920000 0.01148727100000 -0.06176985790000 0.22581325240000 -2.32642822580000 2.69219789080000
0.09651990200000 -0.05463019530000 0.03239004560000 -0.01190093830000 0.00292471940000 -0.00630608140000 0.00939438550000 -0.01317350720000 0.00302177150000 -0.00351930980000 0.08421139730000 0.03146329900000 -0.10128438240000 4.79393438750000 -0.92422421990000
0.21362022780000 -0.12593732660000 0.07551785720000 -0.02785736000000 0.00685638420000 -0.01479696810000 0.01996668200000 -0.02810067540000 0.00570810250000 -0.08914073610000 0.04132588690000 -0.48410693160000 1.89922542770000 -5.36912575680000 -2.57553536580000
0.34813633010000 -0.21510180690000 0.13087003080000 -0.04857774630000 0.01194678630000 -0.02576624140000 0.04024813960000 -0.05647025440000 0.01357263480000 0.05418590260000 0.48758715310000 0.58687384550000 -2.21243662270000 2.57127427800000 5.78754526620000
0.32881636350000 -0.17324075480000 0.09813090180000 -0.03526686820000 0.00867675220000 -0.01874299480000 0.01785891910000 -0.02545794700000 0.00243767480000 -0.39717281020000 -0.56882288100000 -2.54946683930000 -0.86871757440000 0.95066291540000 -7.52881889570000
0.13495627540000 0.18120645180000 -0.18012768590000 0.07791618940000 -0.01960480850000 0.04253684110000 -0.04054366240000 0.06170435100000 -0.00545926170000 0.96358332720000 0.88761172310000 7.80627778210000 3.60364803910000 -2.68512005990000 7.31381758280000
0.02946081740000 0.52742643370000 -0.52301003140000 0.22961549120000 -0.05758082380000 0.12515672140000 -0.23140210620000 0.33187966830000 -0.09034407960000 -1.43637312650000 -4.62440434330000 -1.195946152370e1 -3.89883603810000 2.58911760180000 -5.73992688370000
0.01083283140000 0.31917864300000 -0.16888180070000 0.04496229740000 -0.01060786130000 0.02295296900000 0.07334231260000 -0.12117026670000 0.06182783270000 3.78889786130000 9.11473053990000 11.54012162750000 2.79447859690000 -1.77442370490000 3.84407944570000
0.00069923990000 0.09449638940000 0.59042547030000 -0.39937119340000 0.10760745450000 -0.24039563360000 0.17972789610000 -0.29851580040000 -0.01495334810000 -7.92440606280000 -9.27215565310000 -8.06733350490000 -1.61414891170000 1.01366305750000 -2.27793233400000
-0.00013030720000 0.05033500330000 0.53259677330000 -0.41592794650000 0.11354911900000 -0.26128754910000 0.77434132510000 -1.28663349570000 0.48335905650000 9.60503952410000 5.96619524960000 4.46015027100000 0.82413231450000 -0.51752318820000 1.21318849200000
-0.00010456350000 0.00654787380000 0.08680766900000 0.38795723540000 -0.13769044280000 0.36460205150000 -1.56193233160000 3.84792083650000 -1.28374822560000 -7.29794076800000 -2.82679264260000 -2.08376688840000 -0.38398030970000 0.24097031210000 -0.58041191390000
0.00002901290000 0.00085357840000 0.01354112710000 0.69748516490000 -0.27700260950000 0.77922982430000 0.24650660540000 -4.32600946450000 1.69800227750000 3.92057654300000 1.12393250470000 0.86347397210000 0.16268694010000 -0.10185464650000 0.24851807650000
-0.00001078890000 -0.00006674880000 0.00288908670000 0.19473437450000 0.04148824300000 -1.02612549900000 1.52521386160000 2.85243023730000 -1.63635398240000 -1.67770674530000 -0.40798358160000 -0.32602430560000 -0.06247063500000 0.03903030520000 -0.09572890220000
0.00000397280000 0.00006020030000 0.00012548070000 0.00042151140000 0.52285507600000 -0.43833633060000 -1.71605921980000 -1.23641389050000 1.48977454540000 0.62290624520000 0.14159556260000 0.11438984370000 0.02204482770000 -0.01376085370000 0.03382254920000
-0.00000136200000 -0.00002072440000 -0.00002048320000 0.00196737070000 0.56759131230000 0.79866028820000 0.76857105430000 0.14275867320000 -1.58817028440000 -0.20631866290000 -0.05149443200000 -0.03959656210000 -0.00757643380000 0.00473171030000 -0.01165320800000
0.00000042470000 0.00000650530000 0.00000662710000 -0.00061314000000 0.04075032910000 0.05559528090000 0.12532736670000 0.34199099310000 1.37197901810000 0.04674095340000 0.01890117840000 0.01258689760000 0.00234397410000 -0.00146749550000 0.00362999520000
* d-type functions
16 13
15575.92074300
4228.28714810
1471.43703080
608.14250099
281.51094670
139.72075430
72.05286010
37.76630949
19.81246416
10.28347126
5.22581547
2.56847931
1.20071199
0.52119981
0.20302649
0.07908628
0.00016724650000 -0.00009242130000 0.00002926930000 -0.00003332430000 0.00003134530000 -0.00004096310000 0.00005809380000 -0.00012925940000 0.00000826250000 -0.00071449490000 0.00090145090000 -0.02278390510000 0.03137199050000
0.00119509630000 -0.00065911750000 0.00020818970000 -0.00024031990000 0.00024169240000 -0.00031262240000 0.00031142260000 -0.00021439850000 0.00237585530000 0.00088320810000 -0.01956341280000 0.09584774170000 -0.15776561680000
0.00690258870000 -0.00384579780000 0.00122026940000 -0.00138979190000 0.00130746740000 -0.00171052220000 0.00243374670000 -0.00542447610000 0.00044170760000 -0.03041623400000 -0.01424277380000 -0.43268735710000 0.41392375750000
0.02911013390000 -0.01628809860000 0.00516194600000 -0.00596493820000 0.00600025000000 -0.00777390420000 0.00783460870000 -0.00584534500000 0.05896321990000 0.01538589690000 -0.61323393620000 0.75801437730000 -2.70890556030000
0.09274267770000 -0.05300384170000 0.01691999780000 -0.01929980930000 0.01813874760000 -0.02382802590000 0.03461475300000 -0.07925689830000 -0.00219518800000 -0.46679475820000 0.08966309580000 -3.24849863400000 4.65006725320000
0.21688295700000 -0.12490822580000 0.03982319980000 -0.04630054160000 0.04738239660000 -0.06171647850000 0.05850801940000 -0.02285462940000 0.53222826270000 0.24683522660000 -1.49157206110000 6.67089184470000 -4.48579293610000
0.35283993820000 -0.19959140420000 0.06368503600000 -0.07146355120000 0.06338682490000 -0.08188934240000 0.13927056490000 -0.40175268540000 -0.41794829870000 -1.97952616890000 4.38881395170000 -8.21597244580000 2.97390036460000
0.34011692170000 -0.13071754240000 0.03518539310000 -0.03992094180000 0.04715301660000 -0.05377246680000 -0.04323423880000 0.50567162130000 1.40529836160000 5.41818820540000 -5.59511185670000 7.19668091050000 -1.56766720790000
0.15028630450000 0.19484366830000 -0.08780204610000 0.11867427830000 -0.15603783490000 0.22172365440000 -0.10111877130000 -0.64201822220000 -4.52243012500000 -6.75448436490000 4.59519118540000 -4.98631014940000 0.78190048600000
0.03123312380000 0.48273425770000 -0.20105475100000 0.22331771920000 -0.16109313360000 0.19841807770000 -0.60808407460000 2.66507346210000 6.28710020920000 5.30727958190000 -2.89254874830000 2.95403854080000 -0.41934680420000
0.00869359980000 0.37636007570000 -0.11811168650000 0.12843715090000 -0.19273863090000 0.20029140590000 0.67248928400000 -4.92923839580000 -5.12390707500000 -3.11442861450000 1.55298532110000 -1.57849770740000 0.23431789140000
0.00205866350000 0.09133484440000 0.23029227790000 -0.46847746400000 0.87144909600000 -1.53977548920000 0.85523585400000 4.96662176440000 2.95462365740000 1.53656801730000 -0.75597234550000 0.77907125210000 -0.12403971060000
0.00007554960000 0.00511686870000 0.47409722980000 -0.56163614540000 -0.13699462360000 1.64815502270000 -2.26999280770000 -3.44146121880000 -1.37442994370000 -0.68560113100000 0.34005963770000 -0.35495377180000 0.05922967550000
0.00001420020000 0.00011255360000 0.39588852780000 0.56166567750000 -0.93160126600000 -0.36253473940000 2.49716544920000 1.91381714690000 0.56700234300000 0.28308199560000 -0.14107864580000 0.14832394790000 -0.02533382690000
-0.00000462600000 0.00001364050000 0.12314746460000 0.51466545230000 0.58535868410000 -0.88532933920000 -1.99031042200000 -0.96173423710000 -0.22026411340000 -0.11056867210000 0.05505188710000 -0.05807600670000 0.01001858780000
0.00000146010000 -0.00000661280000 0.00052887870000 0.06883046520000 0.52325805350000 1.02733102770000 1.03929475640000 0.37474800680000 0.07012270320000 0.03553115890000 -0.01763211730000 0.01862935360000 -0.00322587820000
* f-type functions
9 8
478.11036756
162.58872879
68.49360610
31.68772422
15.17476176
7.28914302
3.38309526
1.40481901
0.58334640
0.00218869770000 -0.00070048870000 0.00064449000000 -0.00081485880000 0.00869622550000 -0.00875464350000 0.06617567320000 -0.01002852520000
0.01822930820000 -0.00618603070000 0.00732940070000 0.01468110540000 -0.01467953630000 -0.11732519860000 -0.01950776300000 1.58445437650000
0.07726355620000 -0.02489660010000 0.02330396000000 -0.02071794600000 0.30213147310000 -0.40826234710000 1.66334057220000 -2.05564488740000
0.20792411700000 -0.07197500200000 0.09065254890000 0.20756229560000 -0.11978082060000 -1.04428627310000 -2.86685782250000 1.69357550760000
0.34881403940000 -0.11511522810000 0.12856963720000 -0.14060640940000 1.49857638070000 2.18425751750000 2.52249453790000 -1.08291519170000
0.37353376620000 -0.13382330220000 0.23602081010000 1.03621729120000 -2.50386759620000 -1.72883540020000 -1.46923357560000 0.57055402970000
0.23835386010000 0.06243707940000 -0.30241819370000 -2.16032107750000 1.57362269230000 0.89052314070000 0.65465885160000 -0.25618912870000
0.06211471620000 0.50441596960000 -0.94085900630000 1.83040588360000 -0.60793631240000 -0.35871018100000 -0.25129110510000 0.10203399500000
0.00197632170000 0.55341063430000 1.10912265670000 -0.81904130240000 0.18916814750000 0.11363289870000 0.08111299750000 -0.03369497320000
* g-type functions
4 4
2.48738393
1.32831883
0.69374224
0.31854641
0.25065564200000 -0.57392640110000 0.81840407310000 -1.64594235630000
0.49119050040000 -0.36578089710000 -0.44980026740000 2.94337921480000
0.34469694720000 0.70968150690000 -0.83862281140000 -2.43485502410000
0.08592341160000 0.37599321890000 1.14223135710000 1.04107319740000
* h-type functions
4 4
2.37321138
1.45309173
0.76544261
0.33846485
0.23023889740000 -0.09113570420000 0.93372321260000 -2.02086086840000
0.46396860580000 -0.55761777090000 -0.11529663140000 3.10998894320000
0.40490924910000 0.30446031710000 -1.09248092150000 -2.04915085740000
0.06760833660000 0.81923490700000 0.81150078140000 0.81671091910000
/Pb.ANO-R.Zobel.25s22p15d9f5g4h.16s15p13d7f5g4h.
J.P. Zobel, P.-O. Widmark, V. Veryazov. J. Chem. Theory Comput. 16 (2020) 278-294. doi:10.1021/acs.jctc.9b00873
LEAD (25s,22p,15d,9f,5g,4h) -> [16s,15p,13d,7f,5g,4h]
82.0 5
* s-type functions
25 16
59593444.14100000
15054109.02200000
4352181.64660000
1400916.03000000
490987.29265000
184063.90364000
72799.43563900
30064.04433600
12866.21320900
5675.85303230
2571.56552220
1193.49225530
566.20474763
273.96030964
134.79932487
67.16497975
33.68299676
16.85711775
8.32209262
3.99167737
1.82439854
0.77555106
0.29769683
0.09957836
0.03330855
0.00055681290000 -0.00037866470000 0.00026191050000 -0.00009618040000 0.00002998380000 -0.00000991580000 0.00000337350000 -0.00001875810000 0.00002413070000 -0.00003826940000 0.00007439840000 -0.00016576940000 0.00040150520000 -0.00023730780000 0.01671357110000 -0.03261023390000
0.00144652160000 -0.00098427390000 0.00068116970000 -0.00025021440000 0.00007801360000 -0.00002580130000 0.00000877520000 -0.00004879760000 0.00006285060000 -0.00010034140000 0.00018923010000 -0.00044284360000 0.00072157850000 0.00215665980000 -0.07425806290000 0.14371980870000
0.00295089260000 -0.00201005040000 0.00139238700000 -0.00051170720000 0.00015954680000 -0.00005276090000 0.00001795500000 -0.00009982820000 0.00012831640000 -0.00020253280000 0.00040220810000 -0.00086666890000 0.00306810080000 0.00558142180000 0.12377576710000 -0.39190639170000
0.00549420240000 -0.00375021930000 0.00260304150000 -0.00095760930000 0.00029871200000 -0.00009880410000 0.00003358710000 -0.00018680500000 0.00024099000000 -0.00038829530000 0.00070177610000 -0.00175568370000 0.00000618840000 -0.02543289950000 -0.13017936010000 0.88779513040000
0.01005044050000 -0.00688516120000 0.00479435970000 -0.00176650250000 0.00055106890000 -0.00018221040000 0.00006206520000 -0.00034498210000 0.00044213280000 -0.00068585220000 0.00146739420000 -0.00278627830000 0.01575075660000 0.11099369420000 0.18838753290000 -1.60947237150000
0.01809211790000 -0.01246628680000 0.00872931260000 -0.00322549070000 0.00100755800000 -0.00033339070000 0.00011315640000 -0.00062966250000 0.00081651850000 -0.00135348110000 0.00212408320000 -0.00660189690000 -0.00606845880000 -0.22014787290000 -0.27918184500000 2.64557199330000
0.03277472430000 -0.02279608540000 0.01609152000000 -0.00596888050000 0.00186448340000 -0.00061626870000 0.00021042040000 -0.00116887840000 0.00148570050000 -0.00219315610000 0.00568923460000 -0.00747187930000 0.05290959860000 0.38737951170000 -0.08945077440000 -2.39911026460000
0.05911656290000 -0.04170255790000 0.02983351460000 -0.01114044270000 0.00349168480000 -0.00115636700000 0.00039113710000 -0.00217853070000 0.00286041320000 -0.00504856030000 0.00537985560000 -0.02845921330000 0.00007994240000 -0.27640221600000 0.93052972900000 -1.43297663220000
0.10462233950000 -0.07559514290000 0.05516064880000 -0.02079454560000 0.00651727900000 -0.00215263690000 0.00073851690000 -0.00409849840000 0.00511585290000 -0.00672319540000 0.02524617350000 -0.01181850470000 0.12658024830000 0.04469706090000 -3.74935562890000 6.38378434860000
0.17230465330000 -0.12960608180000 0.09801307950000 -0.03759772240000 0.01188293310000 -0.00394281930000 0.00132461070000 -0.00738956270000 0.00996024970000 -0.01973096380000 0.00429035600000 -0.13644691390000 0.08060798510000 1.02287605820000 4.50115643210000 -8.97583135610000
0.23814121610000 -0.19308707660000 0.15451703500000 -0.06088629080000 0.01926641450000 -0.00635301790000 0.00220501510000 -0.01221377770000 0.01453883830000 -0.01281503570000 0.11477599480000 0.06657486680000 0.62795026530000 -2.21062856530000 -4.39475035500000 7.32405851800000
0.22530520040000 -0.20022532420000 0.17253266130000 -0.07039729090000 0.02276339300000 -0.00761187470000 0.00247795970000 -0.01391728410000 0.02105520330000 -0.06036708620000 -0.11668073840000 -0.60092437830000 -0.48211273330000 5.65559686810000 7.27264543840000 -2.78779947680000
0.12194580910000 -0.05179018440000 0.00342548240000 0.00753037720000 -0.00377042200000 0.00144725300000 -0.00021439700000 0.00150998730000 -0.00986355420000 0.08340950110000 0.42425875300000 1.24095243060000 0.14007573270000 -1.385585547630e1 -9.94668203370000 -0.85489760350000
0.11254798920000 0.19848383370000 -0.46219239830000 0.27300538290000 -0.09615246860000 0.03172383320000 -0.01147272380000 0.06349735410000 -0.06339028390000 -0.06152401450000 -1.32162494120000 -1.87181647070000 -5.38657991240000 22.22731856420000 9.72175390700000 2.06126490040000
0.11428840020000 0.18951350460000 -0.72179575690000 0.50589919760000 -0.19393049300000 0.06625385270000 -0.02099332860000 0.11924388110000 -0.20106614140000 0.71312053560000 1.90429431770000 7.37903928190000 13.56124489250000 -2.505070065940e1 -7.67579638550000 -1.78523574920000
0.05706131140000 0.16971234490000 -0.00656464230000 -0.10914286930000 0.06188445940000 -0.02367791180000 0.00460304930000 -0.03081406250000 0.14597652220000 -1.11429552230000 -5.01381545510000 -1.692972638650e1 -1.709492629110e1 21.91672934290000 5.41087577600000 1.17613933600000
0.08076311390000 0.36110485470000 0.59990479360000 -1.23161880510000 0.61829945030000 -0.21162407780000 0.07957393590000 -0.44932908070000 0.39832176910000 1.10681232860000 13.27932231330000 21.62693375920000 14.77241395830000 -1.599958453450e1 -3.57871273780000 -0.70243363800000
0.02864184100000 0.13302780050000 0.23720856460000 -0.28725756770000 0.14999796100000 -0.06212779160000 0.00687747310000 -0.04110217020000 0.43310839030000 -4.20238032580000 -2.059771043450e1 -1.822123420540e1 -1.005491797380e1 10.22329344900000 2.23575209800000 0.40609156960000
0.01102132690000 0.05857893930000 0.19632461390000 1.06998774810000 -1.08622694610000 0.44589972120000 -0.12744203550000 0.81522833460000 -2.00211119360000 10.65676216050000 19.92416614460000 11.49838643160000 5.81439238170000 -5.86467854250000 -1.29798615870000 -0.22656912040000
0.00356315430000 0.02043684420000 0.07097307710000 0.40046735080000 -0.49873473460000 0.18945769710000 -0.11259513830000 0.62154131940000 0.54322291960000 -1.438599718310e1 -1.334207591750e1 -5.97932859110000 -2.98180434790000 3.04580487440000 0.68660939680000 0.11807264080000
0.00005296010000 -0.00015446260000 -0.00073287800000 0.00861297970000 1.10119323140000 -0.63120845860000 0.30908704360000 -2.61784393630000 3.64602600150000 12.15693148820000 6.84136233110000 2.73287912910000 1.38292680070000 -1.43180893140000 -0.32707913930000 -0.05599498120000
0.00003701700000 0.00037047470000 0.00142667200000 0.01328067710000 0.47606220830000 -0.50821976170000 0.04409967340000 1.34248917060000 -6.03800240420000 -7.32690173420000 -2.94011308770000 -1.13656882380000 -0.58399251870000 0.60964751260000 0.14026250080000 0.02398308590000
-0.00000397360000 -0.00009487610000 -0.00039570980000 -0.00240620070000 -0.00699799710000 0.73004687770000 -0.00624194490000 1.65482754150000 5.09572307200000 3.50450310250000 1.13196561700000 0.43672059990000 0.22613659740000 -0.23695768890000 -0.05469129690000 -0.00934761890000
0.00000130770000 0.00003382770000 0.00014262040000 0.00090753240000 0.00597604290000 0.67065851890000 -1.33976004220000 -2.32976655760000 -2.89436541510000 -1.43977206600000 -0.40911559480000 -0.15794265480000 -0.08201587210000 0.08605995800000 0.01988783810000 0.00339848800000
-0.00000035780000 -0.00000955680000 -0.00004046770000 -0.00025740370000 -0.00164348510000 -0.00550849290000 1.72261975920000 0.93429348510000 0.94762827950000 0.42449361010000 0.11587717920000 0.04478536780000 0.02327571060000 -0.02443353440000 -0.00564861540000 -0.00096517410000
* p-type functions
22 15
8342562.18600000
1417741.55210000
309848.22895000
82936.96534600
26101.99988700
9338.81354160
3695.33631070
1581.60799920
719.20175066
342.46800715
168.73413862
85.12981196
43.55359845
22.37089212
11.40771229
5.69894050
2.74396876
1.24781134
0.52261705
0.19545537
0.06286236
0.02021779
0.00004122490000 -0.00002036240000 0.00001263190000 -0.00000475450000 0.00000123990000 -0.00000236460000 0.00000302000000 -0.00000466060000 0.00000348860000 -0.00000819330000 0.00001944230000 -0.00003044480000 0.00000511060000 -0.00221707000000 0.00444005410000
0.00014948730000 -0.00007396160000 0.00004589700000 -0.00001727740000 0.00000450600000 -0.00000859440000 0.00001099830000 -0.00001702560000 0.00001256170000 -0.00002801390000 0.00007526160000 -0.00009805540000 -0.00002589360000 0.00867947390000 -0.02086052640000
0.00050217930000 -0.00024903990000 0.00015461980000 -0.00005822040000 0.00001518300000 -0.00002895280000 0.00003690190000 -0.00005676460000 0.00004313920000 -0.00010661240000 0.00022239750000 -0.00042244720000 0.00148092660000 -0.03078024500000 0.07151061600000
0.00153433590000 -0.00076340860000 0.00047425890000 -0.00017862330000 0.00004659240000 -0.00008888840000 0.00011417600000 -0.00017774030000 0.00012769500000 -0.00025636230000 0.00086558340000 -0.00075852000000 0.00021877400000 0.09679606890000 -0.20356995980000
0.00455407710000 -0.00227841130000 0.00141710870000 -0.00053405900000 0.00013927580000 -0.00026549510000 0.00033651700000 -0.00051351740000 0.00040577490000 -0.00112605780000 0.00167112210000 -0.00514917450000 0.01736798230000 -0.23145231380000 0.55536118440000
0.01326037520000 -0.00669007130000 0.00416804860000 -0.00157200760000 0.00041016700000 -0.00078294380000 0.00101279060000 -0.00159192080000 0.00108844660000 -0.00172202310000 0.00903202700000 -0.00216937500000 0.01706931730000 0.59060865670000 -1.16480229680000
0.03741497150000 -0.01916549830000 0.01197802250000 -0.00452447250000 0.00118014580000 -0.00224847950000 0.00282815390000 -0.00427136260000 0.00355613520000 -0.01123484280000 0.01006674510000 -0.05892631690000 0.07739446290000 -2.06775248740000 2.11741898760000
0.09776742160000 -0.05139232530000 0.03229699130000 -0.01223155910000 0.00319353940000 -0.00610076080000 0.00795865520000 -0.01264835700000 0.00816083460000 -0.00863082430000 0.08347198940000 0.02113382950000 0.50132102240000 5.34466300300000 -1.18158858780000
0.21594864400000 -0.11837736110000 0.07506114680000 -0.02854677160000 0.00745162980000 -0.01418819280000 0.01764837130000 -0.02625937740000 0.02355758740000 -0.08657511520000 0.02795713730000 -0.50841787860000 0.49062797460000 -9.00988234410000 1.19838315680000
0.35256312790000 -0.20281455670000 0.13015427150000 -0.04977413760000 0.01301689340000 -0.02492917920000 0.03333029700000 -0.05466125990000 0.02956784020000 0.02209660060000 0.49491127660000 0.55726896160000 0.06348041450000 11.16126256240000 -4.01223163100000
0.33538415610000 -0.16475753970000 0.09959526670000 -0.03700695030000 0.00960948950000 -0.01809675250000 0.01936150270000 -0.02200144910000 0.04600690090000 -0.34428005950000 -0.62233517930000 -2.39041782690000 -3.68087300190000 -1.109702995950e1 7.01373002440000
0.13235551100000 0.17851056070000 -0.17498471140000 0.07809212390000 -0.02078157440000 0.03928055000000 -0.04185949250000 0.04954011340000 -0.11098933650000 0.84504935350000 1.07146421950000 7.53257582160000 6.40602382220000 9.32402223230000 -7.71274455570000
0.01294537930000 0.52821034560000 -0.52414443050000 0.23646408540000 -0.06335004210000 0.12337245560000 -0.18065756660000 0.33013723350000 -0.09287440620000 -1.04694164820000 -4.88708096640000 -1.156076084670e1 -6.22059420270000 -6.85983882850000 6.32607773490000
0.00059360940000 0.32461626120000 -0.17632295610000 0.05059759020000 -0.01205370090000 0.02012613550000 0.01926865560000 -0.13813252750000 -0.20875001390000 3.05316876620000 9.47677669860000 11.10139244620000 4.43836033080000 4.53365795470000 -4.28363750980000
-0.00199998190000 0.09532966440000 0.59572946120000 -0.41749601510000 0.11906490250000 -0.23117600400000 0.23286472760000 -0.24110421080000 0.83486232070000 -7.16514387070000 -9.88707394660000 -7.77323038530000 -2.63683774680000 -2.72808247830000 2.54709658370000
-0.00137931230000 0.05016261240000 0.53037961700000 -0.42362673760000 0.12506872990000 -0.26759134160000 0.52573279940000 -1.24998288180000 -0.08687312130000 9.32069005410000 6.75073717950000 4.37588250150000 1.39696178450000 1.49778163650000 -1.37259609710000
-0.00026130550000 0.00604212830000 0.08454799270000 0.41246420000000 -0.16101299110000 0.41103495660000 -1.05409348730000 3.53941805020000 -1.87200870650000 -7.62134174270000 -3.48949442540000 -2.12397046630000 -0.67827915750000 -0.74732692670000 0.67591841820000
0.00001510230000 0.00101029880000 0.01636421690000 0.69166627250000 -0.28245923500000 0.68511612580000 -0.31421165850000 -3.65404418370000 3.08657329250000 4.52005556870000 1.52929537500000 0.93044391570000 0.30253361830000 0.33801946230000 -0.30366206680000
-0.00000950790000 -0.00013824360000 0.00296320170000 0.18143149990000 -0.00853942110000 -0.94150433790000 1.89721686740000 1.86883781920000 -3.00253634670000 -2.21507450010000 -0.60901260740000 -0.37590433310000 -0.12387463040000 -0.13918324910000 0.12467821410000
0.00000322560000 0.00009326330000 0.00026470400000 0.00070429810000 0.62960162170000 -0.50994121130000 -1.73242635050000 -0.17711773590000 2.38883354740000 1.00082287190000 0.22850953970000 0.14179143090000 0.04699332330000 0.05290194850000 -0.04733840160000
-0.00000116200000 -0.00003444510000 -0.00007165110000 0.00197481030000 0.50566622700000 0.86496892560000 0.50520415400000 -0.74565725110000 -1.88838556920000 -0.47314402250000 -0.08479847990000 -0.05187350890000 -0.01720706140000 -0.01937959390000 0.01733564140000
0.00000036010000 0.00001085480000 0.00002314690000 -0.00057996280000 -0.00617269300000 0.11556772970000 0.44647823520000 0.82834038750000 1.20635733280000 0.20826930500000 0.02752612600000 0.01625874820000 0.00538339130000 0.00606197580000 -0.00542232010000
* d-type functions
15 13
11049.00548000
3009.15895430
1057.14760020
439.78801315
203.36695776
99.93432287
50.61298495
25.89270273
13.19921739
6.63109011
3.24275544
1.51659703
0.66036899
0.25721056
0.10018228
0.00031585020000 -0.00017623270000 0.00005807090000 -0.00005022000000 0.00005942050000 -0.00008648010000 0.00011755620000 -0.00009440360000 0.00069232320000 -0.00014049200000 0.00044993620000 -0.00955047310000 0.10808168440000
0.00234551270000 -0.00131438270000 0.00043357880000 -0.00037402040000 0.00042366430000 -0.00056027450000 0.00065778150000 -0.00237729960000 0.00048950230000 0.01203803740000 0.02604485590000 0.00748229480000 -0.42134631840000
0.01327346240000 -0.00748688820000 0.00247351760000 -0.00214087020000 0.00253489110000 -0.00369485340000 0.00502046430000 -0.00415744520000 0.02986540310000 -0.00370675210000 0.20541433790000 -0.26745844290000 2.26788589060000
0.05320562370000 -0.03038581140000 0.01006885910000 -0.00869675330000 0.00986449370000 -0.01307188610000 0.01540888110000 -0.05568399820000 0.01492688180000 0.28070574400000 0.73842837500000 -1.48262694870000 -3.68268611350000
0.15483421920000 -0.09010619220000 0.02999000840000 -0.02604347080000 0.03107188700000 -0.04597530040000 0.06362962170000 -0.04201375750000 0.39921461290000 0.05425235170000 0.49120499080000 4.19499087220000 4.08534906480000
0.31179373230000 -0.18127356780000 0.06033949210000 -0.05204547280000 0.05807599250000 -0.07392333430000 0.08119920360000 -0.40693902850000 -0.12437463360000 1.75105610460000 -2.86675395360000 -5.70226921070000 -3.63441670040000
0.38976837130000 -0.20023736680000 0.06412870100000 -0.05472434730000 0.06750631490000 -0.10723062290000 0.16240765920000 0.33353520010000 1.32352694830000 -4.79084812200000 3.83046482250000 5.30742256340000 2.75522236960000
0.23355030070000 0.05903679560000 -0.03993653510000 0.04098174070000 -0.06711118800000 0.14976622120000 -0.29087977350000 -0.67484011630000 -4.34155329590000 5.76480687110000 -3.19939072550000 -3.87266345030000 -1.85271234230000
0.05693426010000 0.43875840100000 -0.19211325740000 0.17319214130000 -0.18104062230000 0.18003921220000 -0.08080011110000 3.05595007470000 5.72469889240000 -4.47618203600000 2.06883774540000 2.40704509540000 1.13673511860000
0.01349306760000 0.46213187310000 -0.18795031230000 0.15427201040000 -0.20969037060000 0.40713570920000 -0.77514393470000 -5.03432714600000 -4.52003744990000 2.65451183180000 -1.15051302300000 -1.34171570330000 -0.64401285110000
0.00354114750000 0.15456659710000 0.14602014990000 -0.20687531780000 0.42369757100000 -1.18622524600000 2.74239918440000 4.47667883150000 2.57537952390000 -1.33787839590000 0.57898929270000 0.68472126110000 0.33536713180000
0.00034621640000 0.01047331220000 0.47965233790000 -0.57183688180000 0.53800193420000 0.29184089850000 -3.51991537150000 -2.68527015010000 -1.19592718060000 0.60726161440000 -0.26657024440000 -0.31890059380000 -0.15838469400000
-0.00003186390000 0.00072971250000 0.44298824280000 0.20600175720000 -0.82243104430000 1.21079623560000 2.74699164380000 1.24839706270000 0.49254521800000 -0.25196138160000 0.11167014050000 0.13440539720000 0.06722414720000
0.00001441980000 -0.00022872280000 0.14086185640000 0.57204612570000 -0.29874063800000 -1.73494876180000 -1.61363345210000 -0.50656454560000 -0.19076066290000 0.09790727120000 -0.04355899830000 -0.05255283840000 -0.02635835200000
-0.00000470590000 0.00006994330000 0.00127044910000 0.35073301910000 0.96053798630000 1.03455630800000 0.64238424100000 0.16395553850000 0.06097039240000 -0.03133454590000 0.01395844180000 0.01685328510000 0.00846021910000
* f-type functions
9 7
507.25690166
172.49441414
72.74920940
33.73388273
16.20907273
7.82316742
3.65804220
1.53856106
0.64711395
0.00208718530000 -0.00069081760000 0.00061033210000 -0.00085673770000 0.01007686980000 -0.04350837590000 0.08721695170000
0.01749585820000 -0.00615838740000 0.00676790500000 0.01410984720000 0.00528185560000 -0.27818043950000 -1.63076656540000
0.07486912140000 -0.02496511070000 0.02238926480000 -0.02212284790000 0.37045960040000 -1.30372004710000 2.36633623600000
0.20377470830000 -0.07318558590000 0.08491269220000 0.20397036910000 0.10591130400000 2.47710089400000 -2.26116118190000
0.34686439110000 -0.11917972010000 0.12985561360000 -0.12979288730000 1.03908147720000 -2.17821793630000 1.63349674040000
0.37545782380000 -0.14074760360000 0.22485571230000 1.05805353700000 -2.14117380790000 1.25498887810000 -0.92380372660000
0.24052279990000 0.06322934050000 -0.26425684580000 -2.21508151240000 1.40826026460000 -0.55636021200000 0.42621008810000
0.06216517800000 0.52021369060000 -0.97938736740000 1.86948315580000 -0.55360370270000 0.21417305660000 -0.17010439640000
0.00178541130000 0.53416082750000 1.14521006110000 -0.82474376510000 0.17381721610000 -0.06904445190000 0.05558358940000
* g-type functions
5 5
3.47980763
2.14045119
1.13463611
0.59711032
0.26148866
0.05719487950000 -0.08728378560000 0.19105381880000 -0.38598984310000 2.69386802660000
0.35802735120000 -0.70788164860000 0.81969330020000 -0.66287066990000 -4.18990216110000
0.46446243570000 0.03592119050000 -1.17694512780000 2.21430522410000 3.12394276220000
0.25283932290000 0.68678126740000 0.03212120130000 -2.29251364960000 -1.62092190780000
0.04846430970000 0.26334235470000 0.83866701930000 1.18667102990000 0.47691189050000
* h-type functions
4 4
2.36476284
1.38545019
0.74552720
0.33301093
0.34060253300000 -0.23437583960000 1.05408854690000 -1.73221243610000
0.44851629230000 -0.55193498570000 -0.56843784930000 2.92772115390000
0.32841915040000 0.62229344470000 -0.77512734980000 -2.19874747140000
0.05165092170000 0.60761471990000 0.86717805460000 0.96439481560000
/Bi.ANO-R.Zobel.25s22p14d9f5g4h.16s14p12d7f5g4h.
J.P. Zobel, P.-O. Widmark, V. Veryazov. J. Chem. Theory Comput. 16 (2020) 278-294. doi:10.1021/acs.jctc.9b00873
BISMUTH (25s,22p,14d,9f,5g,4h) -> [16s,14p,12d,7f,5g,4h]
83.0 5
* s-type functions
25 16
59901876.51000000
15208254.39300000
4419642.09630000
1430108.13700000
503805.48654000
189797.36554000
75405.97797100
31264.25967300
13424.27156700
5937.32668050
2694.89446160
1252.04836400
594.21416335
287.47995337
141.40056848
70.43642609
35.33511274
17.71034300
8.77293684
4.23384456
1.95438217
0.84327921
0.33064532
0.11387110
0.03921612
0.00065258830000 -0.00027725590000 0.00027431530000 -0.00010399120000 0.00003363750000 -0.00001112920000 0.00000425870000 -0.00001989980000 0.00002640120000 -0.00004211280000 0.00008170200000 -0.00018114420000 0.00039857810000 -0.00552967140000 0.02017067890000 -0.04349156800000
0.00168876490000 -0.00071801290000 0.00071064140000 -0.00026947420000 0.00008717680000 -0.00002884510000 0.00001103570000 -0.00005156480000 0.00006848390000 -0.00010994300000 0.00020727390000 -0.00048172190000 0.00078151550000 0.01660683300000 -0.06828866560000 0.13321946040000
0.00342335900000 -0.00145754060000 0.00144337510000 -0.00054757960000 0.00017715210000 -0.00005861060000 0.00002243180000 -0.00010481790000 0.00013896620000 -0.00022064710000 0.00043677290000 -0.00093544410000 0.00244105820000 -0.04790525180000 0.17237090420000 -0.30919555960000
0.00632985580000 -0.00270225730000 0.00267926380000 -0.00101745300000 0.00032930990000 -0.00010897570000 0.00004167950000 -0.00019474900000 0.00025900830000 -0.00041953650000 0.00075978840000 -0.00188774340000 0.00206967670000 0.12561181390000 -0.40890700030000 0.72177985270000
0.01149917890000 -0.00493214270000 0.00489912450000 -0.00186326440000 0.00060313040000 -0.00019952680000 0.00007640800000 -0.00035705260000 0.00047218330000 -0.00073721710000 0.00156638310000 -0.00297200060000 0.01066335270000 -0.32635011650000 0.93193872960000 -1.49238578080000
0.02054919770000 -0.00887948720000 0.00884990170000 -0.00337501090000 0.00109388380000 -0.00036212930000 0.00013836920000 -0.00064649910000 0.00086369130000 -0.00143828170000 0.00227912320000 -0.00697448910000 0.00226296560000 0.72622373190000 -2.18183891310000 2.88913366800000
0.03696927600000 -0.01616676210000 0.01618570930000 -0.00619567430000 0.00200828960000 -0.00066420640000 0.00025473650000 -0.00119066030000 0.00156332980000 -0.00232595850000 0.00594287220000 -0.00786612570000 0.04089751940000 -1.35404766070000 4.58851608050000 -4.75298367820000
0.06626033540000 -0.02949395960000 0.02976752450000 -0.01146718240000 0.00372899260000 -0.00123559900000 0.00047111710000 -0.00220052660000 0.00297207390000 -0.00526465410000 0.00579647650000 -0.02953645410000 0.00452472460000 1.58999426780000 -6.19756095680000 8.20554560530000
0.11679421840000 -0.05355528750000 0.05464749650000 -0.02124274810000 0.00690937910000 -0.00228403890000 0.00087858130000 -0.00410969590000 0.00531142350000 -0.00705987230000 0.02576576380000 -0.01242825780000 0.14608410640000 -2.07174438850000 7.46915992000000 -9.88386042540000
0.19248821460000 -0.09263689170000 0.09656314940000 -0.03815425200000 0.01250915220000 -0.00415323640000 0.00157698160000 -0.00735923220000 0.01017234920000 -0.02020290400000 0.00566772960000 -0.14002120840000 0.03175644990000 2.35047903860000 -9.19890186050000 6.76484772070000
0.26901698780000 -0.14129990140000 0.15199507810000 -0.06159439560000 0.02022888280000 -0.00667989590000 0.00258797980000 -0.01213367230000 0.01505108150000 -0.01372245560000 0.11472442200000 0.06564136050000 0.64015145830000 -3.48309858950000 12.62873542940000 -1.64868847520000
0.26101677880000 -0.15180007400000 0.17095694610000 -0.07156121550000 0.02397902650000 -0.00802261550000 0.00298935360000 -0.01388075980000 0.02122769450000 -0.06084602860000 -0.11012071460000 -0.60968753820000 -0.46938393420000 2.66308063350000 -1.808578370390e1 -1.97712154000000
0.13294373300000 -0.03134142520000 0.00871023100000 0.00484504590000 -0.00296137940000 0.00118367100000 -0.00025343460000 0.00093724160000 -0.00828404560000 0.08076680020000 0.41301829050000 1.25269763800000 0.26312378290000 4.26576007860000 22.52698343830000 3.41782110910000
0.07000641090000 0.20903327860000 -0.44895429410000 0.27006294140000 -0.09891966640000 0.03283963010000 -0.01305851220000 0.06209422420000 -0.06629287000000 -0.05516540050000 -1.29875970930000 -1.82679850040000 -5.72268426010000 -1.311001400420e1 -2.328482161830e1 -3.45558935970000
0.07270215860000 0.20759440440000 -0.71994103660000 0.51266799810000 -0.20381258500000 0.07001880230000 -0.02570207000000 0.11943348500000 -0.20135788410000 0.71534061510000 1.81933177940000 7.27647190600000 14.08137055930000 17.46776168230000 20.49829209800000 2.87591157030000
0.02414805150000 0.17345769300000 -0.03084786640000 -0.08476318050000 0.05313753320000 -0.02090789040000 0.00553596060000 -0.02389027590000 0.12763193990000 -1.09054586780000 -4.89126502260000 -1.688793080040e1 -1.776676367800e1 -1.625159023580e1 -1.588817955400e1 -2.13793181510000
0.01288664710000 0.37043979130000 0.58162158180000 -1.22517855820000 0.64187739970000 -0.22400456020000 0.09139513300000 -0.44937137790000 0.43986825400000 1.03975420760000 13.28063897730000 21.82803580640000 15.50608356230000 12.17179163480000 11.12019665950000 1.46106014440000
0.00390317590000 0.14202101360000 0.23845258290000 -0.32864395360000 0.18158713290000 -0.07416320750000 0.01812737640000 -0.05846789240000 0.41949806240000 -4.22852879710000 -2.090526445230e1 -1.870007853890e1 -1.071134011160e1 -7.88228481640000 -7.12486756650000 -0.92550419850000
0.00026845090000 0.06415050600000 0.20888483670000 1.04806702330000 -1.10965500990000 0.46926386260000 -0.16340087780000 0.81889535130000 -2.00083511630000 10.97383998420000 20.55071533870000 12.06147001200000 6.30379822260000 4.57370952960000 4.18331664190000 0.54091426720000
-0.00017367530000 0.02367128360000 0.07940401600000 0.41003291420000 -0.54844563930000 0.22332183750000 -0.12218779220000 0.66510864160000 0.40109326030000 -1.500771487200e1 -1.405973706260e1 -6.42348889580000 -3.29486128390000 -2.40808205230000 -2.23552840820000 -0.28860268010000
0.00007154660000 -0.00014402530000 -0.00004740920000 0.02618991080000 1.10824737730000 -0.67859092140000 0.33709695430000 -2.67049571200000 4.02137579890000 12.85889909560000 7.39382037610000 3.00209436300000 1.55796531320000 1.15070408230000 1.07947323030000 0.13928645830000
-0.00003280220000 0.00050438220000 0.00197335340000 0.02117116060000 0.49291182180000 -0.54436300610000 0.13729513040000 1.31534644680000 -6.51481768290000 -7.86116494690000 -3.25533594690000 -1.27259357880000 -0.67013579750000 -0.49844619590000 -0.47023952590000 -0.06066471500000
0.00001333170000 -0.00013060860000 -0.00048465550000 -0.00269319970000 -0.00759364460000 0.77861391230000 -0.20150220460000 1.80899827150000 5.48016970240000 3.80028823640000 1.27630676380000 0.49625853600000 0.26346778100000 0.19661982860000 0.18597191200000 0.02398994100000
-0.00000491090000 0.00004704970000 0.00017724250000 0.00106695700000 0.00645113220000 0.65363618170000 -1.21586049430000 -2.57100948820000 -3.13005375540000 -1.56765324850000 -0.46467783050000 -0.18058656590000 -0.09618886630000 -0.07187375410000 -0.06805174140000 -0.00877813810000
0.00000138870000 -0.00001317160000 -0.00004989730000 -0.00030299380000 -0.00184604400000 -0.00680858020000 1.69659933900000 1.08804299570000 1.04550069700000 0.46220700940000 0.13065522180000 0.05078413350000 0.02707803810000 0.02024074990000 0.01917088870000 0.00247283960000
* p-type functions
22 14
8728400.01010000
1503871.63310000
329948.94562000
88163.41421500
27628.28358800
9837.99942640
3877.29618190
1654.98389150
751.51716008
357.71696059
176.27116575
88.94738877
45.50100308
23.36143362
11.91040579
5.95710587
2.88142309
1.32478504
0.56695499
0.22018191
0.07525763
0.02572287
0.00004169360000 -0.00002102490000 0.00001283570000 -0.00000499460000 0.00000137350000 -0.00000253740000 0.00000329060000 -0.00000502160000 0.00000337280000 -0.00000958300000 0.00001957940000 -0.00003288900000 0.00008695240000 -0.00318862020000
0.00014956580000 -0.00007554850000 0.00004613820000 -0.00001795570000 0.00000493780000 -0.00000912420000 0.00001186010000 -0.00001811700000 0.00001197610000 -0.00003298890000 0.00007506220000 -0.00009576190000 0.00028422370000 0.01314205170000
0.00050079600000 -0.00025353820000 0.00015492030000 -0.00006030670000 0.00001658550000 -0.00003063280000 0.00003963460000 -0.00006042400000 0.00004124890000 -0.00012082130000 0.00022094940000 -0.00045167610000 0.00058857540000 -0.04003910790000
0.00152555430000 -0.00077486600000 0.00047378840000 -0.00018447870000 0.00005073300000 -0.00009379080000 0.00012242650000 -0.00018735210000 0.00012032500000 -0.00031220310000 0.00085731600000 -0.00071283410000 0.00307129970000 0.12578594610000
0.00451537440000 -0.00230589560000 0.00141168380000 -0.00055000740000 0.00015129240000 -0.00027924290000 0.00035904440000 -0.00054616100000 0.00038875840000 -0.00122304860000 0.00164954530000 -0.00537562560000 0.00974148210000 -0.39951155460000
0.01310647180000 -0.00674906430000 0.00413948540000 -0.00161394630000 0.00044389070000 -0.00082143580000 0.00108085780000 -0.00165898070000 0.00100797000000 -0.00229630050000 0.00891249830000 -0.00189021720000 0.01869609570000 1.19328133180000
0.03686995070000 -0.01926985130000 0.01185822550000 -0.00463055190000 0.00127432480000 -0.00234972490000 0.00299449720000 -0.00454395950000 0.00342355270000 -0.01172732050000 0.00968330900000 -0.06047312810000 0.07102233380000 -2.78897231930000
0.09614075060000 -0.05153794500000 0.03190409940000 -0.01248914640000 0.00343652130000 -0.00636790040000 0.00846184660000 -0.01303625390000 0.00739791300000 -0.01382649600000 0.08226215730000 0.02218907450000 0.33807950890000 5.57975227140000
0.21241536920000 -0.11862394520000 0.07412545420000 -0.02913858600000 0.00802845650000 -0.01478421000000 0.01859604330000 -0.02812981390000 0.02297512000000 -0.08724420990000 0.02528791450000 -0.51577655150000 0.82894709190000 -6.44929367640000
0.34859391510000 -0.20417167560000 0.12922294740000 -0.05106614370000 0.01406578790000 -0.02617032520000 0.03576864570000 -0.05571928170000 0.02553067940000 -0.00928443840000 0.50012662010000 0.57740627530000 -0.26453729570000 4.18965062080000
0.33654604710000 -0.17048325100000 0.10181340620000 -0.03920593870000 0.01078837590000 -0.01949913540000 0.02068243460000 -0.02913499240000 0.05054183420000 -0.30547781820000 -0.63688729390000 -2.42909060720000 -3.46914654020000 -1.15377024610000
0.13794580760000 0.16836498850000 -0.16757369320000 0.07736824180000 -0.02189496120000 0.03966286280000 -0.04125849480000 0.06185458700000 -0.11958935970000 0.76780203030000 1.09424426820000 7.57967404500000 6.29864079420000 -0.57662022910000
0.01747226860000 0.52692481340000 -0.52283648160000 0.24329636520000 -0.06863598990000 0.13068771080000 -0.19780013430000 0.32499158300000 -0.05593811790000 -0.72553288070000 -4.90931229800000 -1.162538747440e1 -6.17256967690000 0.91299550690000
0.00298543430000 0.33173450770000 -0.18945621910000 0.05976871440000 -0.01578385560000 0.02392184920000 0.02456379370000 -0.09010825390000 -0.26670289300000 2.45198308780000 9.64490963520000 11.21674510020000 4.42279922350000 -0.65351332810000
-0.00108464170000 0.09656770640000 0.59117913330000 -0.42892483270000 0.13132704990000 -0.24422586730000 0.23885469400000 -0.36987806200000 0.94812725810000 -6.58973610720000 -1.040119163340e1 -7.93869816950000 -2.64435710840000 0.35500027610000
-0.00079799590000 0.05030991980000 0.53389675240000 -0.43967001590000 0.13620636480000 -0.29188937200000 0.60669822910000 -1.16169883730000 -0.36805456760000 9.10764120090000 7.50296645050000 4.55094606680000 1.41959527290000 -0.17112138230000
-0.00020026520000 0.00605109850000 0.08792340250000 0.42040236140000 -0.17420548050000 0.46201365300000 -1.26780747350000 3.71559530760000 -1.48622865420000 -7.80971174860000 -4.16593421250000 -2.26920404810000 -0.70537531010000 0.07858715000000
0.00003172070000 0.00121680030000 0.02008658940000 0.69418006750000 -0.31440454750000 0.70107411230000 -0.12109354240000 -4.14509066920000 2.87155621820000 4.88309292210000 1.97221083960000 1.03025572170000 0.32534463620000 -0.03470477590000
-0.00001349170000 -0.00016436700000 0.00350746610000 0.17519161720000 0.00609552220000 -1.02321894950000 1.90678015760000 2.42838328200000 -3.09186163300000 -2.54057167820000 -0.84871665450000 -0.43452745010000 -0.13891598510000 0.01451889130000
0.00000545750000 0.00011923810000 0.00035650390000 0.00094268370000 0.65033256460000 -0.47029382230000 -1.89302746170000 -0.53922441620000 2.68206438700000 1.21878388800000 0.34498550580000 0.17165728380000 0.05514224070000 -0.00570707270000
-0.00000206450000 -0.00004537640000 -0.00010356100000 0.00178452430000 0.47253688150000 0.88430296190000 0.61605899480000 -0.60418116210000 -2.21602672450000 -0.59694208490000 -0.13888559900000 -0.06507862250000 -0.02088999600000 0.00214670470000
0.00000063740000 0.00001428260000 0.00003352140000 -0.00052446940000 0.00185267440000 0.11259143080000 0.40892205650000 0.77163977370000 1.37485940760000 0.25520215210000 0.04781995320000 0.02034661560000 0.00650184210000 -0.00066258950000
* d-type functions
14 12
7999.10195990
2178.64490350
773.04912896
324.51003173
150.40817191
73.43613274
36.63708215
18.32066596
9.05982933
4.37293925
2.02319776
0.87201951
0.33494810
0.12865564
0.00058418820000 -0.00032889370000 0.00011216650000 -0.00008699000000 0.00013056030000 -0.00015062510000 0.00017475910000 -0.00075652730000 0.00012119170000 -0.00279239360000 0.00548715370000 -0.04899285200000
0.00448665250000 -0.00254987260000 0.00087483680000 -0.00067309210000 0.00102917360000 -0.00142885810000 0.00228488350000 -0.00279601620000 0.01302419090000 -0.01184948050000 -0.10228437270000 0.15715316780000
0.02432330940000 -0.01388237520000 0.00474999780000 -0.00368705160000 0.00554012350000 -0.00639960930000 0.00745085600000 -0.03257727330000 0.00825011380000 -0.15737731560000 -0.05129362060000 -2.03992637940000
0.09048560850000 -0.05274406950000 0.01821325520000 -0.01403269240000 0.02153274900000 -0.03021186650000 0.04887923200000 -0.05875554980000 0.28994197650000 -0.29039252020000 -1.95185507740000 3.33495208770000
0.23204819560000 -0.13662892470000 0.04706424200000 -0.03668681300000 0.05517013430000 -0.06181048470000 0.06672984950000 -0.36803687250000 -0.04353520330000 -1.49692111080000 4.15656863660000 -3.46691604920000
0.38702671910000 -0.22262001650000 0.07683959680000 -0.05854509420000 0.08967191470000 -0.13670512060000 0.24540111060000 0.01866596480000 1.57235324120000 3.99949637340000 -4.67592694170000 2.84572686390000
0.34272613750000 -0.10654983550000 0.02541087630000 -0.01889898290000 0.01782235240000 0.05226123520000 -0.23922341840000 -0.49309990070000 -4.40021748360000 -4.54190102200000 3.73941220960000 -1.99979884930000
0.12120968510000 0.30260041930000 -0.14244885810000 0.12178570610000 -0.19187516150000 0.14153959580000 0.07697272560000 2.95604541790000 5.41249158600000 3.39588843060000 -2.42061741150000 1.25664200240000
0.02330530850000 0.53491805620000 -0.24559741580000 0.18351710710000 -0.27992053550000 0.59405786870000 -1.43607304920000 -4.50536050970000 -4.20436190070000 -1.98808326030000 1.36931493790000 -0.72123780070000
0.00705051030000 0.27540179470000 0.00345640160000 -0.02208567520000 0.15307112630000 -1.00224278130000 3.31307441670000 3.69541195890000 2.41975107360000 1.00776522090000 -0.70293957750000 0.37866804420000
0.00081417690000 0.02967338830000 0.44937432060000 -0.54404257600000 0.98904445840000 -0.18962136080000 -3.55853259390000 -2.07560191560000 -1.14219127740000 -0.46247650110000 0.32872615680000 -0.17979418880000
0.00000727190000 0.00160628460000 0.51714519290000 -0.09107745050000 -0.96541521030000 1.49900302380000 2.49904047930000 0.91710805870000 0.47353597450000 0.19298487320000 -0.13867084310000 0.07638526260000
0.00000063630000 -0.00050102540000 0.18276769340000 0.65922515420000 -0.32807522690000 -1.79121359720000 -1.40717738240000 -0.36165693720000 -0.18305625270000 -0.07500516940000 0.05410062740000 -0.02987795980000
-0.00000009760000 0.00015875680000 0.00310294190000 0.40912497600000 0.87969522230000 1.08045544380000 0.58288005600000 0.11821952620000 0.05890247060000 0.02413045050000 -0.01741450840000 0.00962491290000
* f-type functions
9 7
537.33058020
182.69675881
77.12324527
35.83545250
17.27162634
8.37209250
3.94118187
1.67725377
0.71379102
0.00199442510000 -0.00067657040000 0.00059297750000 -0.00092165670000 0.01085899090000 -0.05280178560000 0.05501723820000
0.01681752160000 -0.00609297710000 0.00621138480000 0.01383499980000 0.02966715050000 -0.09824841750000 -1.63054956170000
0.07264022530000 -0.02484529440000 0.02196549350000 -0.02439165620000 0.43642054650000 -1.55774591010000 2.21459504040000
0.19984220550000 -0.07388570680000 0.07881082070000 0.20310513100000 0.43772138350000 2.75830755440000 -1.97941621490000
0.34492646080000 -0.12212458810000 0.13262814790000 -0.12955828420000 0.27652527060000 -2.43772242810000 1.37811581560000
0.37728515190000 -0.14698769140000 0.20841632830000 1.09449680690000 -1.41760925540000 1.43924526080000 -0.77670410690000
0.24269498050000 0.06380565340000 -0.21535742440000 -2.27735438600000 1.01161959030000 -0.65519529120000 0.36340236680000
0.06224291850000 0.52837168000000 -1.03009193070000 1.90577455940000 -0.39689196570000 0.25630695860000 -0.14720653920000
0.00163120880000 0.52307317120000 1.18062742250000 -0.82469785460000 0.12437522120000 -0.08249305080000 0.04818967770000
* g-type functions
5 5
3.82362957
2.53094224
1.31605469
0.67487761
0.28943783
0.02834586800000 -0.00357448340000 0.01346423820000 -0.40116863660000 3.22305148340000
0.31707117840000 0.68360141920000 -1.00591220670000 -0.77153270930000 -4.65025044630000
0.48965551090000 0.15200354170000 0.99960198680000 2.21516618940000 2.97182128580000
0.29208185370000 -0.74055315430000 0.22081717270000 -2.10934138800000 -1.51384287700000
0.05416018530000 -0.29110768460000 -0.91604336490000 1.05050703750000 0.47969797910000
* h-type functions
4 4
3.16409656
1.61993507
3.17156983
0.82944520
15.54405688990000 -1.509306126130e1 1.787405292837e2 -6.396967867316e2
0.47763494220000 1.16164498790000 -2.54139770950000 2.66096920210000
-1.527651723820e1 15.11099282430000 -1.767055947084e2 6.381709742782e2
0.39867855450000 -1.36494104330000 0.95330060270000 -0.72986936790000
/Po.ANO-R.Zobel.25s22p14d9f6g4h.17s15p12d8f6g4h.
J.P. Zobel, P.-O. Widmark, V. Veryazov. J. Chem. Theory Comput. 16 (2020) 278-294. doi:10.1021/acs.jctc.9b00873
POLONIUM (25s,22p,14d,9f,6g,4h) -> [17s,15p,12d,8f,6g,4h]
84.0 5
* s-type functions
25 17
60304906.71400000
15375427.95700000
4489556.89870000
1459989.99080000
516873.46649000
195625.26805000
78044.69569200
32472.41708400
13982.02755200
6196.52632420
2816.09252110
1309.10396270
621.29911420
300.47712037
147.72573879
73.57030727
36.92212311
18.53383326
9.21015970
4.46935387
2.08077664
0.90900141
0.36257308
0.12775613
0.04501611
0.00064426900000 -0.00038203380000 0.00028220600000 -0.00011130320000 0.00003505650000 -0.00001237580000 0.00000484250000 -0.00002125990000 0.00002841930000 -0.00004471660000 0.00009038690000 -0.00020109450000 0.00029149840000 -0.00592624070000 0.00649589670000 -0.00852853630000 0.07121500850000
0.00166019960000 -0.00098507820000 0.00072805530000 -0.00028722620000 0.00009047760000 -0.00003194260000 0.00001249630000 -0.00005486060000 0.00007340330000 -0.00011630440000 0.00022881450000 -0.00054302260000 0.00123859360000 0.00203357690000 -0.02099385920000 0.01844514740000 -0.25635553300000
0.00334353290000 -0.00198624860000 0.00146932670000 -0.00057993270000 0.00018268890000 -0.00006449220000 0.00002523930000 -0.00011080660000 0.00014803200000 -0.00023175700000 0.00047756290000 -0.00102882050000 0.00177881730000 0.04015974690000 0.05337331600000 -0.06106824350000 0.47899038410000
0.00613739360000 -0.00365428570000 0.00270832270000 -0.00106999170000 0.00033721380000 -0.00011906320000 0.00004656390000 -0.00020442660000 0.00027385530000 -0.00043814960000 0.00082967750000 -0.00207608620000 0.00331261090000 -0.11650373310000 -0.06467606160000 0.44339417510000 -1.23761765930000
0.01106671330000 -0.00661548970000 0.00491748410000 -0.00194565350000 0.00061325620000 -0.00021646960000 0.00008476580000 -0.00037214790000 0.00049607950000 -0.00076252220000 0.00168195400000 -0.00325606510000 0.00662466510000 0.33284273790000 -0.30123090890000 -1.28767240400000 1.66900058120000
0.01961579710000 -0.01179984720000 0.00881624820000 -0.00349743710000 0.00110377150000 -0.00038983630000 0.00015231000000 -0.00066868480000 0.00089933400000 -0.00148301780000 0.00247442020000 -0.00748788220000 0.01357281540000 -0.85293586290000 1.14328860630000 2.27010520180000 -1.97051465480000
0.03499707630000 -0.02126610260000 0.01600514960000 -0.00637232860000 0.00201131640000 -0.00070977940000 0.00027836510000 -0.00122227330000 0.00161909020000 -0.00236037150000 0.00623124020000 -0.00875587010000 0.01422508970000 1.27376011010000 -2.27492673140000 -3.88735199180000 3.35639430700000
0.06218452950000 -0.03835638170000 0.02921740600000 -0.01170384040000 0.00370582670000 -0.00130977040000 0.00051060870000 -0.00224140420000 0.00304384370000 -0.00536988380000 0.00638086970000 -0.03019273720000 0.04995831630000 -0.92574626330000 3.62119572510000 1.96739652140000 -5.16192909970000
0.10869319590000 -0.06874728480000 0.05328791590000 -0.02153187070000 0.00681943540000 -0.00240531890000 0.00094623840000 -0.00415708770000 0.00543049220000 -0.00698674690000 0.02630342150000 -0.01688406810000 0.07358847990000 0.39187827200000 -3.87125859000000 2.18341701540000 3.30371249860000
0.17781557130000 -0.11715885960000 0.09368957280000 -0.03844749780000 0.01227203070000 -0.00434407500000 0.00168620230000 -0.00739768630000 0.01025577810000 -0.02049472400000 0.00783718720000 -0.13753107890000 0.09723618860000 -2.09965245600000 6.30666272850000 -4.59299491530000 1.79907199930000
0.24711936460000 -0.17546517680000 0.14722641620000 -0.06188118020000 0.01978638110000 -0.00697095240000 0.00276274790000 -0.01215882310000 0.01532102710000 -0.01287692260000 0.11413601430000 0.03237422590000 0.60912444700000 5.93439419090000 -8.69534187020000 4.35391301530000 -7.19224464960000
0.24021207540000 -0.18631138070000 0.16646513580000 -0.07211820970000 0.02351232060000 -0.00837347030000 0.00318788550000 -0.01393788810000 0.02113715910000 -0.06258353590000 -0.10051429700000 -0.56006174520000 -0.46209874050000 -6.13215547880000 8.41478648400000 -1.78664004300000 11.98595262500000
0.13029510350000 -0.05123843440000 0.01166488330000 0.00312755630000 -0.00232001230000 0.00099062220000 -0.00016861740000 0.00056935830000 -0.00702000690000 0.08428633950000 0.39486713530000 1.20579369220000 0.25223524970000 -0.39716258230000 -9.30071006090000 -1.53607950280000 -1.525773657700e1
0.09532852650000 0.20346624420000 -0.43481339110000 0.26838737590000 -0.09595336070000 0.03389879920000 -0.01380568110000 0.06151139350000 -0.06804164030000 -0.06786908260000 -1.26839200230000 -1.68124120810000 -5.70323514120000 8.65918028550000 11.71587629090000 3.81535087510000 15.97473764870000
0.09881387890000 0.21384815270000 -0.71404850840000 0.51945654870000 -0.20166590980000 0.07330144010000 -0.02748387110000 0.12045564040000 -0.19967408800000 0.74194663290000 1.70963045180000 6.99009805320000 14.19443874850000 -1.294211651900e1 -1.263325468880e1 -4.43349509220000 -1.426671630780e1
0.04605890070000 0.16702973610000 -0.04434203900000 -0.06839157990000 0.04523931830000 -0.01876538970000 0.00461569930000 -0.01921219060000 0.11221251000000 -1.14015563210000 -4.71086771970000 -1.663352307370e1 -1.817966788300e1 12.42626204450000 11.07298198810000 3.84710232470000 11.20891198070000
0.05910504920000 0.35026719670000 0.57842150640000 -1.23167248000000 0.63768794810000 -0.23517088190000 0.09838142950000 -0.45275241030000 0.46892005040000 1.17478477260000 13.19686253670000 21.86484161900000 16.15311445920000 -9.42988652560000 -8.21623054110000 -2.80427603520000 -7.94087876980000
0.02234533910000 0.13853275450000 0.24294640360000 -0.36285593420000 0.20020509030000 -0.08422268630000 0.02151390610000 -0.07265207320000 0.40547675600000 -4.55986495150000 -2.107064901510e1 -1.908109915130e1 -1.136719839460e1 6.16481586350000 5.38328378350000 1.81321424770000 5.14774856670000
0.00877075180000 0.06397381500000 0.21683178040000 1.05238251460000 -1.11223177640000 0.49071546980000 -0.17400625730000 0.83182994760000 -1.98068231000000 11.56830097750000 20.93288453190000 12.57431794990000 6.80969743040000 -3.61550939010000 -3.18745696180000 -1.06485903630000 -3.06051492020000
0.00309024280000 0.02456889340000 0.08529517250000 0.42770074880000 -0.57984710620000 0.25352178510000 -0.14146998870000 0.70029791790000 0.26018879840000 -1.578608987420e1 -1.447916551600e1 -6.84461266480000 -3.61876488850000 1.92832444540000 1.71535442150000 0.57044320830000 1.65836929300000
0.00010570240000 0.00024499700000 0.00125190090000 0.01865643610000 1.11964331700000 -0.72612388990000 0.37378929510000 -2.73728679630000 4.35819130630000 13.60501249550000 7.70142620600000 3.26131539870000 1.73767694490000 -0.93472638850000 -0.83639419680000 -0.27748408930000 -0.81267617570000
0.00006647480000 0.00074728410000 0.00270393990000 0.01772869030000 0.50354988500000 -0.56976533980000 0.14694048900000 1.31842688300000 -6.95028528450000 -8.38650536010000 -3.42487659860000 -1.40405972370000 -0.75791604310000 0.41057004500000 0.36852795030000 0.12212413630000 0.35906602310000
-0.00000697220000 -0.00015605130000 -0.00055778270000 -0.00277773710000 -0.00853048790000 0.82373849560000 -0.24275261540000 1.92150576090000 5.83845806790000 4.07806836450000 1.35163235630000 0.55360193530000 0.30125748590000 -0.16376899370000 -0.14721063960000 -0.04875859060000 -0.14361568670000
0.00000257990000 0.00005767310000 0.00020751110000 0.00106385060000 0.00686332280000 0.63431662540000 -1.21545149520000 -2.73363282640000 -3.33122729730000 -1.68028323290000 -0.49207498640000 -0.20220968530000 -0.11042185960000 0.06011014300000 0.05406438530000 0.01790335650000 0.05277214160000
-0.00000070700000 -0.00001607000000 -0.00005811960000 -0.00030109150000 -0.00196045720000 -0.00635814180000 1.71348457140000 1.16979823530000 1.10996462420000 0.49124592730000 0.13710982080000 0.05644842360000 0.03086137230000 -0.01680709000000 -0.01511966540000 -0.00500651080000 -0.01476091090000
* p-type functions
22 15
9138673.62190000
1576281.31500000
346268.91610000
92610.27237700
29031.17760000
10333.37737700
4068.02644590
1733.48943620
785.57591398
373.14765567
183.53482320
92.49230413
47.29246502
24.29594516
12.40953331
6.22600893
3.02439715
1.39777259
0.60160065
0.23492642
0.08065273
0.02768894
0.00004235800000 -0.00002164430000 0.00001325260000 -0.00000516170000 0.00000151640000 -0.00000244110000 0.00000350850000 -0.00000530670000 0.00000355550000 -0.00000877330000 0.00002070460000 -0.00002519140000 0.00048486140000 -0.00141994240000 0.00167140480000
0.00015203080000 -0.00007781570000 0.00004766320000 -0.00001856700000 0.00000545440000 -0.00000878220000 0.00001264810000 -0.00001915090000 0.00001261300000 -0.00002985380000 0.00007917080000 -0.00010694250000 -0.00050054650000 0.00162330220000 -0.00666574620000
0.00050603200000 -0.00025959540000 0.00015909260000 -0.00006199090000 0.00001821420000 -0.00002931380000 0.00004204750000 -0.00006353220000 0.00004331290000 -0.00011120660000 0.00023354660000 -0.00045696700000 0.00265290450000 -0.00184175680000 0.01710802720000
0.00153094450000 -0.00078793270000 0.00048322180000 -0.00018833950000 0.00005532520000 -0.00008911940000 0.00012882550000 -0.00019543700000 0.00012477130000 -0.00027204470000 0.00088783220000 -0.00080571770000 -0.00156191130000 -0.00398734040000 -0.04446263990000
0.00449656220000 -0.00232663660000 0.00142869430000 -0.00055719850000 0.00016376940000 -0.00026340620000 0.00037573240000 -0.00056636220000 0.00040392850000 -0.00113776460000 0.00174257820000 -0.00535703160000 0.02349447200000 0.06669559730000 0.08915315680000
0.01296010770000 -0.00676131890000 0.00415976560000 -0.00162360370000 0.00047690360000 -0.00076892020000 0.00111956360000 -0.00170401120000 0.00102349920000 -0.00184326830000 0.00904385590000 -0.00284946300000 -0.00181362470000 -0.19730368070000 -0.61478033740000
0.03627919200000 -0.01920464340000 0.01185522040000 -0.00463455490000 0.00136303380000 -0.00219032130000 0.00309940360000 -0.00465927120000 0.00353458430000 -0.01108672700000 0.01045316710000 -0.05844677740000 0.16284750450000 -0.02843885350000 1.40416494060000
0.09447185530000 -0.05126840050000 0.03183975460000 -0.01247979060000 0.00366659410000 -0.00591918130000 0.00869603040000 -0.01329031890000 0.00739947840000 -0.00959576290000 0.08276449710000 0.01203131450000 0.23548905120000 1.13336413910000 -4.33487164630000
0.20932432590000 -0.11824453610000 0.07413706010000 -0.02918364680000 0.00859526950000 -0.01379600650000 0.01929572220000 -0.02890852740000 0.02390059160000 -0.08483924030000 0.03060067970000 -0.49560510710000 0.78260853670000 -4.65566337140000 6.47631992830000
0.34599749020000 -0.20488833120000 0.13014074530000 -0.05151743780000 0.01514232670000 -0.02453728810000 0.03697273070000 -0.05719975230000 0.02509773410000 0.01420390800000 0.49237149740000 0.48742931820000 -0.01078992010000 9.53899408550000 -5.63198390670000
0.33815919080000 -0.17474706260000 0.10499053790000 -0.04050622850000 0.01195178580000 -0.01886319970000 0.02280341920000 -0.03174059500000 0.05585565100000 -0.33531153560000 -0.59506907230000 -2.23377808860000 -3.87055212890000 -1.258573101840e1 3.39442890090000
0.14218323460000 0.16130274240000 -0.16406683190000 0.07651160490000 -0.02323587240000 0.03675697340000 -0.04332384270000 0.06431208930000 -0.13105272720000 0.81734125560000 1.02623370430000 7.33987910780000 6.79231106300000 12.26583023520000 -1.65658384170000
0.02115477010000 0.52422672050000 -0.52546725080000 0.24644011090000 -0.07401609140000 0.12267211010000 -0.20331117820000 0.33330679080000 -0.03926238350000 -0.97468099340000 -4.87194382860000 -1.145590931210e1 -6.69084276110000 -9.65286841870000 0.81695896250000
0.00488651210000 0.33530491350000 -0.19941434030000 0.06492727290000 -0.01892595460000 0.02569939110000 0.01599627270000 -0.08244441840000 -0.31786343210000 2.96572382800000 9.58637153760000 11.17835261790000 4.87099687300000 6.53518077800000 -0.48528734140000
-0.00109164730000 0.09937943380000 0.58869023130000 -0.43444080800000 0.14321217900000 -0.23271244830000 0.26222847530000 -0.40920923050000 1.08202049140000 -7.19877460630000 -1.020720895360e1 -7.98985206440000 -2.96358279690000 -3.96633451590000 0.31876887470000
-0.00099768300000 0.05202908450000 0.53952829070000 -0.45207262210000 0.14791694110000 -0.27472639620000 0.61254938430000 -1.15517199590000 -0.58955350730000 9.65997533710000 7.19653556690000 4.61894092870000 1.61225096230000 2.20229751420000 -0.19733281300000
-0.00025159480000 0.00646916560000 0.08884791750000 0.43096500910000 -0.18876823930000 0.43985356910000 -1.28050859540000 3.81390575110000 -1.24099281440000 -8.25040137810000 -3.87769632890000 -2.31645702410000 -0.80710316960000 -1.12328204570000 0.10824057160000
0.00002693950000 0.00135138880000 0.01831328940000 0.70084728210000 -0.35086835740000 0.64375377120000 -0.18239651710000 -4.32790675210000 2.68006148000000 5.18551132230000 1.77684026830000 1.05418485520000 0.37336745230000 0.52515216820000 -0.05253713090000
-0.00001761560000 -0.00015202270000 0.00276733140000 0.16457014360000 0.04452261150000 -0.92960649490000 2.01372896900000 2.60955491550000 -2.98037943010000 -2.71715683820000 -0.73900385710000 -0.44420829240000 -0.15941163310000 -0.22523236730000 0.02290939290000
0.00000624490000 0.00012144470000 0.00034364490000 0.00038851970000 0.69603281980000 -0.52389017480000 -1.94324567330000 -0.66499828880000 2.63960695190000 1.31577381890000 0.28833001310000 0.17486664840000 0.06314888300000 0.08936339610000 -0.00914926490000
-0.00000238810000 -0.00004598890000 -0.00011213400000 0.00154615940000 0.41345500280000 0.94629790740000 0.64248164820000 -0.52621732680000 -2.23296556970000 -0.65775884160000 -0.10920960420000 -0.06597190360000 -0.02386861330000 -0.03378898930000 0.00346739070000
0.00000073430000 0.00001448060000 0.00003621230000 -0.00045862560000 -0.00428033850000 0.12073059840000 0.37006932060000 0.72756768290000 1.41334470090000 0.28998467140000 0.03450080560000 0.02052001310000 0.00742187480000 0.01050439690000 -0.00107863400000
* d-type functions
14 12
8624.16942840
2336.32917970
827.46769067
347.21511081
160.94121126
78.60572529
39.25632860
19.67812739
9.77624726
4.75404807
2.22272291
0.97062224
0.37818409
0.14735208
0.00054923160000 -0.00031165630000 0.00010989790000 -0.00007744870000 0.00012637070000 -0.00014776350000 0.00016881870000 -0.00073780670000 0.00019852230000 -0.00531942660000 0.01392521620000 -0.08497374600000
0.00419988340000 -0.00240539360000 0.00085320550000 -0.00059577730000 0.00098060780000 -0.00137175850000 0.00230476950000 -0.00229993400000 0.01300124870000 0.00038194530000 -0.13060135900000 0.30458908060000
0.02275644140000 -0.01308648500000 0.00462963150000 -0.00326548730000 0.00533472630000 -0.00623730670000 0.00712296580000 -0.03179184170000 0.01184827050000 -0.26080393820000 -0.11401165800000 -2.17353189330000
0.08523512420000 -0.05003322560000 0.01786128940000 -0.01248515290000 0.02061546130000 -0.02914209270000 0.04957844100000 -0.04789509300000 0.29148927570000 -0.02060469970000 -1.84311771450000 3.54958776640000
0.22223786490000 -0.13188433000000 0.04698600180000 -0.03327846950000 0.05454560320000 -0.06215081870000 0.06502764540000 -0.36673824060000 -0.01850820830000 -1.88544933020000 3.95800384190000 -3.65509561700000
0.38068586830000 -0.22173575800000 0.07921717520000 -0.05483837660000 0.08980007070000 -0.13688715000000 0.26315115990000 0.04099571610000 1.56840710350000 4.39968686630000 -4.40451972800000 2.90717582800000
0.35194709380000 -0.12270831750000 0.03296364660000 -0.02310404700000 0.02989815160000 0.03424127980000 -0.24857179230000 -0.64040411710000 -4.41283583240000 -4.90813042420000 3.49710280560000 -1.98295603320000
0.13214675790000 0.27927600240000 -0.13837234930000 0.10762951220000 -0.19104865690000 0.15113094240000 0.12078517130000 3.20243198290000 5.40269545530000 3.70773706520000 -2.26931636040000 1.23395204620000
0.02567539170000 0.53581485840000 -0.25653329190000 0.17599497950000 -0.27987174590000 0.58772593060000 -1.59383890110000 -4.75198805100000 -4.18363326720000 -2.21961975940000 1.29863972200000 -0.71511704400000
0.00781634550000 0.29414133820000 -0.01857489540000 0.00308273100000 0.08863132800000 -0.89763727300000 3.53594730060000 3.88705691050000 2.41008865950000 1.15127017510000 -0.67707337870000 0.38219296750000
0.00096224840000 0.03541310090000 0.44864027590000 -0.49689568220000 1.05220010080000 -0.40808160980000 -3.72847430400000 -2.19128601390000 -1.14176250280000 -0.53680484150000 0.32096187250000 -0.18439958860000
0.00001826070000 0.00159242310000 0.52718109140000 -0.16069871420000 -0.90666793500000 1.69955963020000 2.56626014730000 0.96909577650000 0.47448866560000 0.22562948970000 -0.13648491810000 0.07909646010000
-0.00000296180000 -0.00047728550000 0.17879156160000 0.64742671270000 -0.45942558310000 -1.88153172400000 -1.40511072350000 -0.37955257810000 -0.18315103080000 -0.08775093010000 0.05335471300000 -0.03102359180000
0.00000103960000 0.00014253790000 0.00316930890000 0.45770756420000 0.91399498320000 1.08590290040000 0.56487621790000 0.12264909330000 0.05857932650000 0.02810179610000 -0.01711005630000 0.00995841500000
* f-type functions
9 8
568.27410751
193.17979463
81.61420131
37.99141856
18.36088175
8.93480735
4.23198015
1.82054971
0.78317977
0.00191001090000 -0.00065812270000 0.00059166730000 -0.00084785750000 0.00763744190000 -0.00620361510000 0.05980427650000 -0.05544497860000
0.01619079150000 -0.00600056250000 0.00564789760000 0.01362946940000 -0.02672257290000 -0.10691885510000 -0.02688271620000 1.63908359510000
0.07056011100000 -0.02454197950000 0.02200685240000 -0.02145984850000 0.23631430980000 -0.34679356580000 1.74136132710000 -2.11375915110000
0.19612787890000 -0.07418279720000 0.07225728410000 0.20143628770000 -0.28372964830000 -1.23302737370000 -2.91079555830000 1.76790429540000
0.34304567230000 -0.12390043070000 0.13745267130000 -0.10638550570000 1.89052282420000 2.19601792560000 2.55129027430000 -1.16778211870000
0.37902050530000 -0.15277947180000 0.18482498870000 1.09093283130000 -2.90507251890000 -1.58093092070000 -1.52496131080000 0.64496752170000
0.24480882840000 0.06478453780000 -0.15294441610000 -2.31131071440000 1.88792772200000 0.81244101330000 0.70602307240000 -0.30303096020000
0.06234458160000 0.52864830510000 -1.09477178520000 1.92335538020000 -0.78346837390000 -0.34687312230000 -0.27929845710000 0.12422984700000
0.00150298440000 0.52022143870000 1.21632480060000 -0.81326097770000 0.25090350150000 0.11114993360000 0.08982356470000 -0.04078359890000
* g-type functions
6 6
5.12483896
3.84397239
2.49528630
1.26566411
0.63143213
0.25779832
0.00326763230000 -0.08191810330000 0.18880573450000 -0.64415777340000 2.22323630370000 -6.50855646740000
0.04634869900000 0.19437435520000 -0.42303003940000 1.62851163330000 -6.53634067750000 10.05402308710000
0.34515806120000 0.55527990960000 -0.52666424850000 -0.15233984170000 6.31399822940000 -5.38070108700000
0.48579370470000 0.10467456300000 0.68713448610000 -1.67364147690000 -3.48474181550000 1.78042929260000
0.26340013620000 -0.71827204140000 0.34592798730000 1.75195680050000 1.67686597110000 -0.64964928320000
0.05647700980000 -0.29362920650000 -0.96071713860000 -0.87548903520000 -0.50622255770000 0.16378974320000
* h-type functions
4 4
2.50174647
1.37969769
0.71690460
0.33409327
0.45358712430000 -0.63188287630000 1.40245684070000 -0.88079749620000
0.42218308660000 -0.00882563680000 -1.71485450310000 2.01323559090000
0.26731234180000 0.54270843310000 0.40423125870000 -2.20953090960000
0.03660627610000 0.47404300090000 0.48278837340000 1.30947293140000
/At.ANO-R.Zobel.25s22p14d9f6g4h.17s15p12d8f6g4h.
J.P. Zobel, P.-O. Widmark, V. Veryazov. J. Chem. Theory Comput. 16 (2020) 278-294. doi:10.1021/acs.jctc.9b00873
ASTATINE (25s,22p,14d,9f,6g,4h) -> [17s,15p,12d,8f,6g,4h]
85.0 5
* s-type functions
25 17
60477702.16400000
15470961.71600000
4539176.04250000
1484320.62410000
528486.10866000
201102.16833000
80613.12892900
33673.02805100
14542.16939600
6457.70358910
2938.03438980
1366.27100010
648.30757252
313.39465932
154.01271933
76.70060223
38.52318521
19.37583393
9.66326237
4.71570737
2.21327788
0.97750214
0.39544461
0.14182326
0.05086385
0.00067707300000 -0.00040079300000 0.00030836030000 -0.00012088370000 0.00003903930000 -0.00001372080000 0.00000533600000 -0.00002239070000 0.00003139930000 -0.00004843200000 0.00009720340000 -0.00020290970000 0.00039218050000 -0.00179448590000 0.01374915210000 -0.00894648370000 0.01937942180000
0.00173727720000 -0.00102905150000 0.00079213310000 -0.00031062690000 0.00010032990000 -0.00003526390000 0.00001371070000 -0.00005753440000 0.00008075320000 -0.00012541570000 0.00024498130000 -0.00053464140000 0.00104373220000 0.00645076660000 -0.03368889030000 0.09940031780000 -0.08715569660000
0.00347362200000 -0.00206006560000 0.00158716670000 -0.00062271350000 0.00020114310000 -0.00007069300000 0.00002749760000 -0.00011538080000 0.00016170960000 -0.00024819090000 0.00050790040000 -0.00102824380000 0.00204161810000 -0.01632599520000 0.12098056440000 -0.22682172310000 0.32913676750000
0.00632709830000 -0.00376105880000 0.00290291700000 -0.00114015740000 0.00036844560000 -0.00012951440000 0.00005033670000 -0.00021124830000 0.00029684490000 -0.00046550630000 0.00087482840000 -0.00203970320000 0.00378918790000 0.03229118180000 -0.21514078610000 0.19523229400000 -0.89532519120000
0.01132095540000 -0.00675668780000 0.00522984460000 -0.00205747190000 0.00066499100000 -0.00023370260000 0.00009096700000 -0.00038165220000 0.00053378120000 -0.00080440040000 0.00176342510000 -0.00315646290000 0.00705759260000 -0.09299226460000 0.43899465410000 0.06582471290000 2.62059583760000
0.01990459020000 -0.01195501230000 0.00929886230000 -0.00366880560000 0.00118729150000 -0.00041748280000 0.00016206800000 -0.00068032310000 0.00095960010000 -0.00155089670000 0.00256381620000 -0.00732347220000 0.00855956460000 0.19630289260000 -0.99542516600000 -0.49795175680000 -5.74312739120000
0.03523526950000 -0.02137860280000 0.01674445080000 -0.00663286740000 0.00214704760000 -0.00075443180000 0.00029419750000 -0.00123400800000 0.00171558180000 -0.00245251140000 0.00644369100000 -0.00815183670000 0.03422430110000 -0.33560173410000 1.72026905210000 -0.36567751160000 8.54786755490000
0.06212745870000 -0.03826248500000 0.03031260790000 -0.01208706740000 0.00392478860000 -0.00138107270000 0.00053472180000 -0.00224556470000 0.00319685190000 -0.00552724510000 0.00647480050000 -0.03002534180000 0.01241775900000 0.20944080900000 -2.49623140350000 4.14591838330000 -8.42051640480000
0.10787346810000 -0.06811366910000 0.05485545960000 -0.02208073460000 0.00717362880000 -0.00251996300000 0.00098633300000 -0.00413620410000 0.00567447870000 -0.00716339700000 0.02686067100000 -0.01258263020000 0.14004845470000 -0.00339193810000 3.73813985490000 -1.007753735410e1 7.50444047740000
0.17565997740000 -0.11546540940000 0.09575011620000 -0.03918302860000 0.01282731820000 -0.00452109590000 0.00174130310000 -0.00731668360000 0.01062445490000 -0.02080628630000 0.00759658500000 -0.13928291930000 0.01446338330000 -1.33881782020000 -6.41142506460000 13.44693422100000 -7.97537502650000
0.24398243030000 -0.17254845690000 0.14965457120000 -0.06281985120000 0.02061339640000 -0.00723696930000 0.00285802110000 -0.01198369690000 0.01588704030000 -0.01317885510000 0.11551223110000 0.06231163650000 0.66814146070000 2.49164806230000 5.61176360520000 -1.344642103660e1 9.82355682450000
0.23892647880000 -0.18399478370000 0.16917625570000 -0.07327265940000 0.02449282700000 -0.00868381690000 0.00326715950000 -0.01375087280000 0.02174884730000 -0.06302387330000 -0.10176669020000 -0.59583856040000 -0.51871769400000 -5.24842152790000 0.89301240630000 12.71337220350000 -1.185172991840e1
0.13226958490000 -0.05371935150000 0.01633030420000 0.00163097090000 -0.00189006370000 0.00083445450000 -0.00005268650000 0.00029787800000 -0.00656755820000 0.08361445240000 0.39780609990000 1.24099924210000 0.44918572690000 12.76282375830000 -7.23570165680000 -1.158288179100e1 12.20094766720000
0.09874768230000 0.19510348740000 -0.42626482700000 0.26783653230000 -0.09867405700000 0.03489752600000 -0.01424328310000 0.06005772080000 -0.07037412040000 -0.06686927890000 -1.26322180680000 -1.89313685420000 -6.08338286320000 -2.072977668120e1 9.49133027130000 9.70865434670000 -1.063977594200e1
0.10534026280000 0.20777209640000 -0.71047709960000 0.52509613810000 -0.20973463460000 0.07624345680000 -0.02815218900000 0.11931019800000 -0.20575576620000 0.74882650500000 1.67485311610000 7.49881913700000 14.51669616120000 23.48768447290000 -8.60426589710000 -7.52497222090000 8.27869284680000
0.04687309140000 0.16443641110000 -0.05995100480000 -0.05313397390000 0.03977674450000 -0.01679502290000 0.00310447590000 -0.01501940090000 0.10735322500000 -1.14221746210000 -4.69109999200000 -1.736659652530e1 -1.823725227370e1 -2.070806109320e1 6.57812240350000 5.50903673500000 -6.01535009120000
0.05423763060000 0.35489986530000 0.55978502010000 -1.22608773110000 0.65691839460000 -0.24525410160000 0.10335355340000 -0.44749612750000 0.49494102080000 1.17733439470000 13.33097803240000 22.72427514000000 16.04469625740000 15.38009458590000 -4.56104882720000 -3.83672571210000 4.15658443360000
0.02088095540000 0.14427894410000 0.24107415040000 -0.39134694260000 0.22483991000000 -0.09397497160000 0.02199545300000 -0.08532769430000 0.42835720340000 -4.66961999300000 -2.148566324350e1 -1.995975496500e1 -1.128788678620e1 -1.011899682600e1 2.93765369210000 2.51929103490000 -2.71586805540000
0.00705724380000 0.06785522770000 0.22734275140000 1.03364042200000 -1.13243557700000 0.50929123200000 -0.17448559080000 0.82615910530000 -2.06421569010000 11.93427644860000 21.58367940070000 13.32010311810000 6.81899009180000 6.04026946380000 -1.75528287890000 -1.53342424030000 1.64909399470000
0.00250663260000 0.02704884880000 0.09266790060000 0.43414857560000 -0.62043262420000 0.28475650030000 -0.16495719050000 0.72376465960000 0.23295958800000 -1.641039721730e1 -1.514159536320e1 -7.35865961590000 -3.67180628400000 -3.28551474310000 0.96136189970000 0.85057479960000 -0.91381541440000
0.00008698560000 0.00024497610000 0.00174218990000 0.03247701310000 1.13061407140000 -0.77137156870000 0.41311987820000 -2.71461819800000 4.62010451930000 14.28569510730000 8.17815194700000 3.55477722980000 1.78753768000000 1.62017780220000 -0.47681930670000 -0.42490462000000 0.45631880390000
0.00004529390000 0.00082633780000 0.00304691810000 0.02378572440000 0.51394796590000 -0.59213043220000 0.12347481730000 1.18749276570000 -7.31078094000000 -8.89928574050000 -3.68507983840000 -1.54687290040000 -0.78859144690000 -0.72102231900000 0.21291697600000 0.19040877290000 -0.20445588830000
-0.00000393880000 -0.00018287150000 -0.00062499170000 -0.00300323140000 -0.00935816570000 0.86413411330000 -0.21952843450000 2.13104400270000 6.09253714810000 4.35803167830000 1.46623160310000 0.61394499320000 0.31575692030000 0.28997507830000 -0.08577068160000 -0.07682560950000 0.08248855890000
0.00000139620000 0.00006727310000 0.00023209200000 0.00118011970000 0.00723380820000 0.61547708970000 -1.26650443430000 -2.91861433940000 -3.43544214470000 -1.79448579090000 -0.53433474350000 -0.22442536020000 -0.11588336190000 -0.10661301560000 0.03155671970000 0.02828432140000 -0.03036847870000
-0.00000037310000 -0.00001865750000 -0.00006472830000 -0.00033216840000 -0.00201418480000 -0.00377363070000 1.74698812070000 1.23853932500000 1.12996823700000 0.52012545130000 0.14785498100000 0.06223490120000 0.03218008420000 0.02962292270000 -0.00877027940000 -0.00786262560000 0.00844191260000
* p-type functions
22 15
9560988.58490000
1653805.84930000
363964.49271000
97429.97619500
30543.67309000
10864.52989200
4271.86682640
1817.38957970
822.08935562
389.77918603
191.41058752
96.35435392
49.24893742
25.31722663
12.95612564
6.52306985
3.18578843
1.48352085
0.64493921
0.25509473
0.08897841
0.03103615
0.00004281400000 -0.00002268460000 0.00001352300000 -0.00000540170000 0.00000165430000 -0.00000256510000 0.00000371400000 -0.00000541550000 0.00000371950000 -0.00000948230000 0.00002094840000 -0.00003377990000 0.00016046040000 -0.00023137810000 0.00307178250000
0.00015358160000 -0.00008150840000 0.00004860980000 -0.00001942000000 0.00000594700000 -0.00000922250000 0.00001338300000 -0.00001953180000 0.00001321800000 -0.00003246810000 0.00008012660000 -0.00010309200000 0.00019016570000 0.00072552660000 -0.01863051930000
0.00050823250000 -0.00027032680000 0.00016131520000 -0.00006446380000 0.00001974510000 -0.00003061240000 0.00004422900000 -0.00006443580000 0.00004491680000 -0.00011866080000 0.00023459150000 -0.00045826660000 0.00069584680000 -0.00589726900000 0.04929466270000
0.00152749320000 -0.00081506780000 0.00048677830000 -0.00019457720000 0.00005958050000 -0.00009242320000 0.00013465280000 -0.00019685000000 0.00012972120000 -0.00029648410000 0.00088904210000 -0.00076203660000 0.00414633630000 0.00514046570000 -0.18301905280000
0.00445346580000 -0.00238874590000 0.00142863380000 -0.00057140150000 0.00017508690000 -0.00027134940000 0.00038969680000 -0.00056659850000 0.00041076320000 -0.00118182800000 0.00171592190000 -0.00530386640000 0.00664436700000 -0.00301444540000 0.17363637460000
0.01274723340000 -0.00689262750000 0.00413116900000 -0.00165363390000 0.00050628970000 -0.00078587040000 0.00115400050000 -0.00169188970000 0.00105775110000 -0.00204890750000 0.00897015560000 -0.00220514210000 0.02602218240000 -0.21149248820000 -0.42067399290000
0.03550164940000 -0.01946884010000 0.01171247380000 -0.00469527640000 0.00143976820000 -0.00223010990000 0.00317479270000 -0.00460571440000 0.00352737560000 -0.01124728490000 0.00995976710000 -0.05821473580000 0.10252063100000 0.52519673140000 -1.08310696740000
0.09228031550000 -0.05183990120000 0.03139602330000 -0.01261870940000 0.00386425050000 -0.00600375970000 0.00890309260000 -0.01310139660000 0.00767318820000 -0.01136152280000 0.08194706420000 0.02002902930000 0.20959234700000 -3.36453774660000 2.03146375160000
0.20495988060000 -0.11969526960000 0.07325201840000 -0.02956177170000 0.00907940860000 -0.01405444500000 0.01975701900000 -0.02858705780000 0.02363455220000 -0.08496656780000 0.02708612900000 -0.50453756480000 1.03348682910000 6.97306221290000 -3.59241113860000
0.34125421250000 -0.20872106670000 0.12956626560000 -0.05258254540000 0.01610775790000 -0.02509475950000 0.03824134940000 -0.05689743810000 0.02739550840000 0.00273548980000 0.49440524380000 0.53654465010000 -0.47747252670000 -8.86663253560000 6.66868487310000
0.33835482370000 -0.18263283150000 0.10723406390000 -0.04248684470000 0.01308474290000 -0.02002714380000 0.02416805360000 -0.03285714150000 0.05326415760000 -0.32451929980000 -0.60952742960000 -2.38033956100000 -3.25347110560000 8.78201821800000 -9.05928068920000
0.14810956080000 0.15174284580000 -0.15854206880000 0.07580548080000 -0.02410550640000 0.03706627510000 -0.04301859880000 0.06271028300000 -0.12187149010000 0.79414293710000 1.09682625040000 7.54738864060000 6.11836451440000 -7.39678077090000 9.07186560840000
0.02896654450000 0.52193161290000 -0.52476940010000 0.25199156500000 -0.07897353760000 0.12549673570000 -0.21224043760000 0.33325762060000 -0.06397977980000 -0.87672408830000 -5.01723573930000 -1.165966997890e1 -6.09230757240000 5.50234321710000 -7.25041907800000
0.00966471020000 0.34046728530000 -0.21078567720000 0.07281121910000 -0.02239804110000 0.03105451450000 0.01550651240000 -0.07763544910000 -0.28269408370000 2.82224888900000 9.84571727630000 11.36598544980000 4.44060955320000 -3.70266422970000 4.95474162830000
0.00071949840000 0.10107697920000 0.58175122280000 -0.44085405540000 0.15311248680000 -0.24320403480000 0.26930395270000 -0.41792997420000 1.02465698830000 -7.15019135620000 -1.061087074350e1 -8.16302978300000 -2.70712789020000 2.28498741900000 -3.03208314670000
0.00009070600000 0.05268573200000 0.54446559460000 -0.46911311240000 0.16064178790000 -0.28230795340000 0.65486926740000 -1.14428144490000 -0.46427182560000 9.78625942960000 7.64538818940000 4.76208774490000 1.48177724090000 -1.29703733950000 1.69951445950000
-0.00011245730000 0.00671691730000 0.09330075160000 0.43445986810000 -0.20138628660000 0.45324084440000 -1.39306506130000 3.83189409730000 -1.45088013600000 -8.47793111420000 -4.22759334710000 -2.41518800870000 -0.74885532640000 0.67454897370000 -0.87591039290000
0.00006358830000 0.00137959700000 0.02043160510000 0.70740226890000 -0.38313428670000 0.66827097450000 -0.07384168030000 -4.40709765630000 2.91948955700000 5.38582922920000 1.98415661290000 1.11119154400000 0.34999736440000 -0.32013117730000 0.41368137430000
-0.00002018450000 -0.00017123750000 0.00305845190000 0.15907392670000 0.07917731200000 -0.99310382040000 2.00090714130000 2.70787030190000 -3.17853602450000 -2.83347805050000 -0.84192484870000 -0.47255099540000 -0.15079101740000 0.13881925300000 -0.17898844970000
0.00000915100000 0.00012769400000 0.00035236270000 0.00113400710000 0.70267797400000 -0.47778801200000 -2.02007142850000 -0.71174761050000 2.77186658810000 1.36312620520000 0.33466587540000 0.18732564970000 0.06014180090000 -0.05549850770000 0.07149117730000
-0.00000350500000 -0.00004877640000 -0.00011430520000 0.00172024150000 0.38957474020000 0.96238717050000 0.71522154750000 -0.55277611800000 -2.31094310960000 -0.66571183610000 -0.12964761870000 -0.07094324140000 -0.02280556270000 0.02106195940000 -0.02711992700000
0.00000107920000 0.00001530590000 0.00003724340000 -0.00040266220000 -0.00252803970000 0.10362499950000 0.33923538620000 0.77201128150000 1.43881175220000 0.28234812070000 0.04208106770000 0.02201211650000 0.00706533420000 -0.00652679270000 0.00840183580000
* d-type functions
14 12
9244.79333510
2491.00207150
880.74801534
369.45423966
171.24470938
83.64522715
41.79986386
20.99429058
10.47277658
5.12715322
2.41968985
1.06841854
0.42080774
0.16573950
0.00052106590000 -0.00029915800000 0.00010835820000 -0.00007219590000 0.00011852850000 -0.00014749930000 0.00016107750000 -0.00074141770000 0.00005654930000 -0.00384774650000 0.00247616140000 -0.04344033850000
0.00396840210000 -0.00229909470000 0.00083753450000 -0.00055323430000 0.00090525900000 -0.00132666390000 0.00233210720000 -0.00234905880000 0.01326607460000 -0.00312820810000 -0.09084232070000 0.16209475550000
0.02146949450000 -0.01248825890000 0.00453819300000 -0.00302641520000 0.00497549690000 -0.00618401190000 0.00670925400000 -0.03191347550000 0.00474145230000 -0.20021770540000 -0.21735767140000 -2.02320691870000
0.08082542690000 -0.04796239610000 0.01758540730000 -0.01162585570000 0.01907206800000 -0.02824213050000 0.05039223950000 -0.04919880180000 0.29908607320000 -0.09917495690000 -1.70710843420000 3.48234121070000
0.21373047180000 -0.12830802830000 0.04697289850000 -0.03144399550000 0.05198284660000 -0.06333073030000 0.06162048300000 -0.37290323030000 -0.06573108400000 -1.84426146420000 3.80075396410000 -3.74691669350000
0.37451906680000 -0.22145052180000 0.08132615910000 -0.05334265240000 0.08626098020000 -0.13624986470000 0.28087815950000 0.01918876070000 1.67595753790000 4.37086551100000 -4.25103699110000 3.11783884920000
0.35899901370000 -0.13642211410000 0.03953890420000 -0.02641526290000 0.03913873380000 0.01486804760000 -0.26633853350000 -0.62416330120000 -4.56346100810000 -4.87561368140000 3.38220030890000 -2.20494061020000
0.14223809700000 0.25911825200000 -0.13481777980000 0.09902005610000 -0.18305350260000 0.16715511400000 0.18706194420000 3.23242568780000 5.60112026660000 3.68979241690000 -2.20546110560000 1.40204087760000
0.02888553500000 0.53525221590000 -0.26599297850000 0.17494842710000 -0.26789513950000 0.56971667150000 -1.77274677510000 -4.81820926270000 -4.39608402040000 -2.22300710930000 1.27353043460000 -0.82189975160000
0.00904910680000 0.30974225610000 -0.03765402220000 0.01868884820000 0.02620251230000 -0.77440458870000 3.76659861910000 3.95792276940000 2.57247861960000 1.16418649310000 -0.67154251920000 0.44285278020000
0.00118185260000 0.04079480520000 0.44859484800000 -0.47312993890000 1.06779435630000 -0.64984150330000 -3.89140048240000 -2.23532422930000 -1.23202701280000 -0.54757995520000 0.32143106540000 -0.21506016210000
0.00003033860000 0.00156714220000 0.53592583410000 -0.19807294970000 -0.80590406810000 1.90457232610000 2.61847265850000 0.98308890050000 0.51283501380000 0.23100323630000 -0.13728329710000 0.09249416570000
-0.00000656280000 -0.00044628760000 0.17463950010000 0.63844991540000 -0.60504545050000 -1.94950584660000 -1.39027639550000 -0.37928503340000 -0.19684105210000 -0.08969983040000 0.05361671690000 -0.03622181660000
0.00000212230000 0.00012301280000 0.00316177670000 0.48514799830000 0.97327402140000 1.07056678270000 0.54189137120000 0.12053335080000 0.06249625260000 0.02860430350000 -0.01712867540000 0.01158128930000
* f-type functions
9 8
599.94801395
203.90668276
86.20258771
40.19324837
19.47416502
9.51061875
4.53002828
1.96809198
0.85504677
0.00183382070000 -0.00063611620000 0.00060637280000 -0.00087504200000 0.00789563950000 -0.00547753620000 0.05658389940000 -0.08395106550000
0.01561727760000 -0.00589048450000 0.00508606430000 0.01358120260000 -0.02530055870000 -0.10943663390000 -0.01800393050000 1.66719803680000
0.06864433910000 -0.02407701470000 0.02252306280000 -0.02223802940000 0.24489197800000 -0.32855924960000 1.74256777080000 -2.15263200740000
0.19264993930000 -0.07416536910000 0.06544360390000 0.20246171930000 -0.26464473980000 -1.26989978780000 -2.92363537220000 1.81353170450000
0.34120189480000 -0.12446754330000 0.14429936270000 -0.10655335550000 1.87406920420000 2.27916110650000 2.57618430470000 -1.20770357200000
0.38064585040000 -0.15838399120000 0.15553944480000 1.12445126250000 -2.92115439750000 -1.69137982100000 -1.55410493200000 0.67331076460000
0.24685153600000 0.06689997790000 -0.08038618540000 -2.36642918920000 1.92143580920000 0.88995624280000 0.72792489230000 -0.31953654130000
0.06244965060000 0.52066022570000 -1.17003962820000 1.94356702520000 -0.80568577290000 -0.38324674050000 -0.29057069520000 0.13200037100000
0.00139370370000 0.52561347280000 1.25089644660000 -0.79875472450000 0.25748494550000 0.12272970130000 0.09328401900000 -0.04326060240000
* g-type functions
6 6
5.57033376
4.10008461
2.62635640
1.33724192
0.67667925
0.28704356
0.00180643180000 -0.06010703500000 0.21339055050000 -0.47731258250000 1.11582671380000 -6.10819610890000
0.04902732470000 0.16286148430000 -0.49525240790000 1.19557915820000 -4.72886003570000 9.88271617320000
0.31589091110000 0.46461971240000 -0.61003109760000 0.19116519690000 5.28973050610000 -5.87039417590000
0.44861680610000 0.26392060330000 0.74610591630000 -1.89802291860000 -3.16289993940000 2.27883065290000
0.30945684020000 -0.62504383780000 0.41321561850000 1.96586777830000 1.55758848450000 -0.92391784140000
0.10614781300000 -0.43969309230000 -0.88341370350000 -0.98984471410000 -0.46921779930000 0.24910387860000
* h-type functions
4 4
2.71787333
1.50263695
0.78224560
0.36658073
0.41873650290000 -0.64309900630000 0.96066048890000 -1.36885693600000
0.40639011410000 -0.08064688320000 -0.82814751380000 2.53610897910000
0.31210432400000 0.57255231270000 -0.46485500570000 -2.20753408890000
0.06489731960000 0.44050382350000 0.95195512000000 1.04924468400000
/Rn.ANO-R.Zobel.25s22p14d9f6g4h.15s15p12d8f6g4h.
J.P. Zobel, P.-O. Widmark, V. Veryazov. J. Chem. Theory Comput. 16 (2020) 278-294. doi:10.1021/acs.jctc.9b00873
RADON (25s,22p,14d,9f,6g,4h) -> [15s,15p,12d,8f,6g,4h]
86.0 5
* s-type functions
25 15
58881611.41000000
15125006.88400000
4466271.24390000
1471700.41390000
528219.39602000
202567.58615000
81773.28443400
34362.78124900
14911.30338500
6645.27120730
3030.71133070
1411.43499940
670.25016107
324.12558850
159.34405016
79.41384007
39.94581940
20.14485947
10.08889658
4.95317961
2.34371986
1.04596141
0.42859488
0.15606246
0.05682637
0.00067729390000 -0.00050204400000 0.00033189890000 -0.00013346130000 0.00004557300000 -0.00001536670000 0.00000592590000 -0.00002414310000 0.00003522420000 -0.00005360930000 0.00010528470000 -0.00022912640000 0.00043767010000 -0.00453103470000 0.02519273750000
0.00172968050000 -0.00128292300000 0.00084867590000 -0.00034136990000 0.00011658300000 -0.00003931260000 0.00001515600000 -0.00006175140000 0.00009017880000 -0.00013811540000 0.00026412100000 -0.00060182740000 0.00111697120000 0.01093255480000 -0.10150135950000
0.00342898030000 -0.00254626320000 0.00168626330000 -0.00067863650000 0.00023178300000 -0.00007815500000 0.00003014610000 -0.00012281190000 0.00017906740000 -0.00027126640000 0.00054315480000 -0.00114043140000 0.00236471700000 -0.04549898210000 0.17171938630000
0.00618945300000 -0.00460613810000 0.00305718250000 -0.00123168220000 0.00042086170000 -0.00014193550000 0.00005469550000 -0.00022288240000 0.00032590360000 -0.00050370730000 0.00092664100000 -0.00225010100000 0.00300800620000 0.11373460570000 -0.09949296830000
0.01097509320000 -0.00819822600000 0.00546048430000 -0.00220353320000 0.00075310650000 -0.00025394050000 0.00009803100000 -0.00039928200000 0.00058084080000 -0.00086494140000 0.00185525670000 -0.00346060230000 0.00952691850000 -0.20839859190000 -0.17962660180000
0.01911488460000 -0.01436253460000 0.00962311830000 -0.00389439250000 0.00133270230000 -0.00044962290000 0.00017302400000 -0.00070535260000 0.00103567010000 -0.00164679070000 0.00266298920000 -0.00793797300000 0.00750648190000 0.36113156740000 1.20152709670000
0.03352556840000 -0.02542774460000 0.01718296360000 -0.00698114020000 0.00238990510000 -0.00080583720000 0.00031176450000 -0.00126921580000 0.00183425730000 -0.00259998270000 0.00667859690000 -0.00876685430000 0.03534425360000 -0.64949819140000 -2.94792732740000
0.05855045340000 -0.04502390750000 0.03084395290000 -0.01261260830000 0.00433123450000 -0.00146253260000 0.00056104550000 -0.00228890470000 0.00339495070000 -0.00575146130000 0.00656720460000 -0.03167351290000 0.00879461570000 1.06681093190000 2.50309795250000
0.10070691330000 -0.07923951710000 0.05538090610000 -0.02285446160000 0.00785457700000 -0.00264852950000 0.00102919390000 -0.00418697800000 0.00596405740000 -0.00753392700000 0.02746877160000 -0.01432867200000 0.13119634560000 -1.54226302340000 2.53845689110000
0.16247497090000 -0.13264910790000 0.09596946120000 -0.04024123970000 0.01393489300000 -0.00471467060000 0.00179730660000 -0.00734160140000 0.01112550810000 -0.02118995190000 0.00720983940000 -0.14326580390000 0.05257946350000 1.34180363280000 -9.08937480260000
0.22361872290000 -0.19529642260000 0.14908767400000 -0.06405433530000 0.02224478670000 -0.00750275580000 0.00294661370000 -0.01197256290000 0.01643059080000 -0.01418285000000 0.11691732170000 0.05327810060000 0.59671324800000 -1.87049817760000 12.95940196230000
0.21789471610000 -0.20559168650000 0.16766770730000 -0.07418070740000 0.02622233410000 -0.00892915860000 0.00330938530000 -0.01358250990000 0.02258320830000 -0.06241042230000 -0.10466847280000 -0.59082930560000 -0.42685116210000 0.34599998180000 -1.357820801140e1
0.12667120830000 -0.06700153820000 0.01557687570000 0.00205116120000 -0.00220399110000 0.00093129660000 -0.00002861510000 0.00033979590000 -0.00738023440000 0.08090747210000 0.40467991030000 1.25328390750000 0.31395840740000 7.08500089760000 12.33915795510000
0.11744989980000 0.17979641910000 -0.42279872820000 0.27031341820000 -0.10582813350000 0.03624270530000 -0.01479208970000 0.06020581030000 -0.07236401910000 -0.05542221910000 -1.28894462480000 -1.81271793820000 -5.93113969680000 -1.591533507210e1 -1.037566800160e1
0.12463811730000 0.19139642450000 -0.70408279070000 0.52826626910000 -0.22384930250000 0.07890787840000 -0.02859973170000 0.11848998060000 -0.21593675060000 0.73955758320000 1.72875816580000 7.29422143990000 14.55176137120000 19.89141984280000 8.23831983310000
0.06374575490000 0.15782273890000 -0.06522273820000 -0.04849290780000 0.04009575070000 -0.01668462730000 0.00223832430000 -0.01290165590000 0.11594247610000 -1.11240662760000 -4.79815327960000 -1.722834119550e1 -1.862875484490e1 -1.824241270010e1 -6.19325219480000
0.09232595020000 0.34999419590000 0.54145156180000 -1.21465017660000 0.69192125400000 -0.25519169990000 0.10816270700000 -0.45039434300000 0.50673262970000 1.07711455820000 13.61387520980000 22.85278023430000 16.68518475090000 13.79680428340000 4.39389854930000
0.03681837460000 0.14412234350000 0.23677284070000 -0.40167257560000 0.24528255330000 -0.10006743790000 0.02057571860000 -0.08559361950000 0.47762578360000 -4.58421783350000 -2.210877436970e1 -2.033443427390e1 -1.193020760740e1 -9.16935166070000 -2.91907469410000
0.01435689870000 0.06773669970000 0.23855547520000 1.00145496410000 -1.16733847870000 0.52783897430000 -0.17377298360000 0.81783449670000 -2.23475259070000 12.09672477940000 22.50696572240000 13.75411559420000 7.30685892500000 5.51736540360000 1.79291248330000
0.00549871570000 0.02750411740000 0.09926197210000 0.42717853280000 -0.65606231050000 0.31094138400000 -0.18713368900000 0.76637204110000 0.36697955900000 -1.692352834940e1 -1.606979294400e1 -7.69810065610000 -3.97994023450000 -3.02585300210000 -1.00327225890000
0.00006705320000 0.00009548690000 0.00255142380000 0.05974291800000 1.14241254460000 -0.81613400910000 0.45323506770000 -2.75885970430000 4.71128512830000 14.95908297040000 8.84488935460000 3.76007998630000 1.95589871870000 1.50450690170000 0.50545354880000
0.00010129350000 0.00072505890000 0.00339536120000 0.03572550960000 0.51961166440000 -0.60745947540000 0.09278937560000 1.14814427580000 -7.56588520190000 -9.45513599250000 -4.04960924440000 -1.64908910410000 -0.86897089220000 -0.67415240980000 -0.22807489640000
-0.00002184120000 -0.00018142340000 -0.00066602260000 -0.00329978290000 -0.00996918530000 0.89911903180000 -0.18712327010000 2.26405928600000 6.31520288820000 4.68300920190000 1.62730309320000 0.65704060960000 0.34924943580000 0.27215741590000 0.09237360760000
0.00000769610000 0.00006562070000 0.00024669660000 0.00136278690000 0.00747321810000 0.59924532960000 -1.32122578020000 -3.05371715480000 -3.54087266070000 -1.93665313560000 -0.59438494210000 -0.23991420950000 -0.12804775700000 -0.09996761810000 -0.03397646220000
-0.00000210930000 -0.00001810650000 -0.00006849770000 -0.00037981780000 -0.00202737290000 -0.00184175420000 1.78039475590000 1.28801890750000 1.15302404580000 0.55858754600000 0.16357267890000 0.06609866900000 0.03533065000000 0.02759938070000 0.00938476480000
* p-type functions
22 15
9898800.61670000
1723237.48990000
380832.54819000
102189.66821000
32067.60023300
11405.75516400
4480.89210630
1903.74970000
859.77268541
406.98179602
199.57342610
100.36436666
51.28332532
26.38065493
13.52654701
6.83454725
3.35658907
1.57570625
0.69263867
0.27801307
0.09883132
0.03513371
0.00004903220000 -0.00000728970000 0.00001375860000 -0.00000571570000 0.00000179810000 -0.00000274540000 0.00000394620000 -0.00000565470000 0.00000390500000 -0.00000991610000 0.00002168720000 -0.00003431270000 0.00013101550000 -0.00094372260000 0.00185305530000
0.00017575050000 -0.00002625260000 0.00004940670000 -0.00002052780000 0.00000645750000 -0.00000986020000 0.00001420610000 -0.00002037020000 0.00001385590000 -0.00003397600000 0.00008279710000 -0.00010585840000 0.00074897650000 0.01285439970000 -0.01039362260000
0.00057787890000 -0.00008686350000 0.00016285740000 -0.00006768070000 0.00002129560000 -0.00003251300000 0.00004662700000 -0.00006677410000 0.00004680980000 -0.00012286490000 0.00024141290000 -0.00045550320000 0.00050172290000 -0.05110499590000 0.03440428770000
0.00172532020000 -0.00026168830000 0.00048795540000 -0.00020283790000 0.00006380280000 -0.00009743990000 0.00014098010000 -0.00020240580000 0.00013401020000 -0.00030732310000 0.00090420200000 -0.00080674610000 0.00481747980000 0.15639133980000 -0.13128956590000
0.00499601190000 -0.00076875300000 0.00142115760000 -0.00059106460000 0.00018605840000 -0.00028400990000 0.00040471080000 -0.00057880380000 0.00042231070000 -0.00120122060000 0.00174707110000 -0.00521717630000 0.00260375850000 -0.42167612250000 0.22616062450000
0.01421692260000 -0.00223644620000 0.00408063460000 -0.00169841050000 0.00053418830000 -0.00081615780000 0.00119083210000 -0.00171331560000 0.00107442980000 -0.00210993750000 0.00898083840000 -0.00236836870000 0.04514896270000 0.94750656210000 -0.67061008770000
0.03947383810000 -0.00644619780000 0.01150632950000 -0.00479518580000 0.00151071150000 -0.00230537230000 0.00325439810000 -0.00464824010000 0.00358911080000 -0.01126346130000 0.01005470780000 -0.05732253560000 -0.01163726340000 -1.78481903660000 -0.14815115410000
0.10279622800000 -0.01785374050000 0.03077540460000 -0.01285596430000 0.00404478590000 -0.00618417460000 0.00911886360000 -0.01315761210000 0.00770922240000 -0.01177465540000 0.08142841560000 0.01865906890000 0.53123559940000 3.06691382750000 -1.20309715420000
0.23030458660000 -0.04391846110000 0.07192788860000 -0.03015362070000 0.00951729760000 -0.01452025960000 0.02022479470000 -0.02885205940000 0.02408937730000 -0.08473201020000 0.02812140130000 -0.49829088370000 0.37806557640000 -6.32727165090000 2.93154325500000
0.38934970840000 -0.08244993180000 0.12816114290000 -0.05401087750000 0.01700314140000 -0.02604893880000 0.03953263830000 -0.05754546700000 0.02756928130000 -0.00079143530000 0.49305706730000 0.52712307040000 0.52288965270000 10.62445176270000 -2.56069604030000
0.38343771780000 -0.06118099510000 0.10862347690000 -0.04480992950000 0.01417955110000 -0.02147145710000 0.02555308920000 -0.03488121930000 0.05617771160000 -0.32320399260000 -0.59987035740000 -2.38349721800000 -4.39780670080000 -1.304010611900e1 1.10316523530000
0.09480788350000 0.18648626050000 -0.15281295350000 0.07528049680000 -0.02473783900000 0.03774891360000 -0.04260442540000 0.06308363820000 -0.12667504200000 0.78896658470000 1.09164773210000 7.57187223330000 7.16538114310000 12.35419402880000 -0.06857158540000
-0.14650144240000 0.49969767940000 -0.52278541520000 0.25872499960000 -0.08364544040000 0.13049724330000 -0.22150651450000 0.33788921790000 -0.05889458910000 -0.85739764000000 -5.05095669440000 -1.173711504960e1 -6.92069014120000 -9.67379186480000 -0.25475245700000
-0.10663273910000 0.32926176010000 -0.22203092300000 0.08171524960000 -0.02596979940000 0.03669253410000 0.01513547310000 -0.07094214870000 -0.30806244390000 2.82023256520000 9.97321108390000 11.52177462370000 5.03603665210000 6.61862047660000 0.22019808670000
-0.03242441920000 0.09734211260000 0.57287180450000 -0.44798298340000 0.16188300000000 -0.25663742920000 0.27642141650000 -0.44242695090000 1.09954073440000 -7.24307758390000 -1.085876383940e1 -8.35953850330000 -3.10247215550000 -4.10023074210000 -0.12174945180000
-0.01658384330000 0.05046074320000 0.54814888800000 -0.48809122890000 0.17381651150000 -0.29650446930000 0.70037067360000 -1.14573864230000 -0.58142315170000 10.02917373940000 7.94018318300000 4.93675206040000 1.72392719760000 2.33490537290000 0.05644939370000
-0.00216545470000 0.00662395370000 0.09935859600000 0.43556657280000 -0.21317980000000 0.47706046950000 -1.51845564690000 3.93269300090000 -1.35577298450000 -8.81783010950000 -4.46431867080000 -2.53620762240000 -0.88466869110000 -1.22223015610000 -0.02467613070000
-0.00024630760000 0.00143940320000 0.02465405580000 0.71374202170000 -0.41190942170000 0.70127880370000 0.05577728980000 -4.62216804170000 2.91274827590000 5.69938375300000 2.12725544080000 1.18121381830000 0.41924308950000 0.58537106940000 0.01055578630000
0.00007397430000 -0.00017105450000 0.00382027370000 0.15552695250000 0.10503122880000 -1.07774520960000 1.97325084020000 2.94552346480000 -3.25860664550000 -3.05049458610000 -0.91373013920000 -0.50775984310000 -0.18279438880000 -0.25634242660000 -0.00436817470000
-0.00003441840000 0.00013204230000 0.00037669150000 0.00207134970000 0.70851922350000 -0.41798292290000 -2.09760919990000 -0.86917637930000 2.89024834570000 1.49045476540000 0.36654418750000 0.20301261890000 0.07360420180000 0.10337478840000 0.00171829510000
0.00001379220000 -0.00005057960000 -0.00011407910000 0.00178719480000 0.37118838130000 0.96736338720000 0.79106761390000 -0.49667814810000 -2.42140232150000 -0.73499100850000 -0.14258787310000 -0.07718885850000 -0.02805051510000 -0.03941384850000 -0.00064793460000
-0.00000427970000 0.00001582600000 0.00003809360000 -0.00033942680000 -0.00124484150000 0.08816936580000 0.31352767560000 0.76640946120000 1.49154674310000 0.31000121890000 0.04601187700000 0.02381622020000 0.00865381280000 0.01216031940000 0.00019862020000
* d-type functions
14 12
9860.43959880
2643.01458240
933.08229271
391.32475814
181.37324359
88.58709978
44.28666501
22.27949457
11.15455491
5.49463526
2.61522975
1.16602865
0.46319130
0.18399735
0.00049862990000 -0.00028942660000 0.00010740120000 -0.00006944710000 0.00011462720000 -0.00014669440000 0.00016012770000 -0.00073594740000 0.00005195780000 -0.00432391350000 0.00310387210000 -0.05092892500000
0.00378241100000 -0.00221491870000 0.00082645710000 -0.00053003270000 0.00086368250000 -0.00130179860000 0.00234018800000 -0.00187983640000 0.01324503740000 -0.00324916660000 -0.09019772630000 0.20200865380000
0.02041477160000 -0.01200252870000 0.00446863710000 -0.00289228760000 0.00478189000000 -0.00610434830000 0.00657922940000 -0.03165221470000 0.00387037870000 -0.23683641360000 -0.19680203730000 -2.06579631320000
0.07713965190000 -0.04624259890000 0.01736715200000 -0.01114561390000 0.01819964360000 -0.02773338350000 0.05067525090000 -0.03876820280000 0.29875510280000 -0.11699365470000 -1.72787763420000 3.51005335910000
0.20645620250000 -0.12527951900000 0.04700432740000 -0.03053059370000 0.05084741200000 -0.06376484110000 0.06159094600000 -0.37793831580000 -0.06253426870000 -1.75779393910000 3.89853182830000 -3.72957770370000
0.36892640280000 -0.22109007350000 0.08322324790000 -0.05305909460000 0.08501735480000 -0.13777517070000 0.29096832910000 0.07148056000000 1.71981621390000 4.25499423380000 -4.45254064220000 3.06303950750000
0.36460870720000 -0.14781405820000 0.04534354410000 -0.02954933390000 0.04692525920000 0.00358717200000 -0.26736278170000 -0.80197085140000 -4.61819763700000 -4.78578709530000 3.61637437260000 -2.15197670020000
0.15110479750000 0.24173296190000 -0.13170931610000 0.09387263800000 -0.18001848530000 0.17165088960000 0.20684559760000 3.49465518770000 5.60565327300000 3.65187129750000 -2.40220373760000 1.37371021090000
0.03186479450000 0.53386849640000 -0.27432249820000 0.17698322730000 -0.26318453310000 0.57688603670000 -1.86845473570000 -5.08383536050000 -4.36804153610000 -2.22295498910000 1.40920757950000 -0.81498259170000
0.01019184320000 0.32284688460000 -0.05438602690000 0.03159162460000 -0.02007588670000 -0.72964336200000 3.91710902870000 4.17516000620000 2.54988288980000 1.17676717920000 -0.75238536230000 0.44527830000000
0.00140624900000 0.04579463950000 0.44908194480000 -0.46453537160000 1.10751425530000 -0.76135607370000 -4.02101569670000 -2.37183919790000 -1.22143124310000 -0.55780358840000 0.36291905810000 -0.21845501720000
0.00004069150000 0.00153870480000 0.54335034840000 -0.22503502250000 -0.79046748820000 2.00673857000000 2.68413998120000 1.04629417970000 0.50777312090000 0.23573862060000 -0.15523699760000 0.09426323190000
-0.00000935050000 -0.00041476610000 0.17077632130000 0.64856046270000 -0.65216643500000 -1.99421702540000 -1.41079296560000 -0.40246237030000 -0.19414509880000 -0.09125647700000 0.06043338830000 -0.03682902570000
0.00000290080000 0.00010270460000 0.00314255650000 0.48795920550000 0.99472278540000 1.07823813740000 0.54593840500000 0.12732787060000 0.06139014630000 0.02898759400000 -0.01923072250000 0.01173296650000
* f-type functions
9 8
632.48601472
214.90037101
90.89755394
42.44356200
20.61119735
10.09877173
4.83489843
2.11963035
0.92925071
0.00176419440000 -0.00061624050000 0.00061317190000 -0.00092234680000 0.00810505240000 -0.00413364270000 0.05679958630000 -0.09375547670000
0.01508793510000 -0.00578425740000 0.00468388680000 0.01357861610000 -0.02149457830000 -0.11319686130000 -0.01544648120000 1.67826343300000
0.06686388010000 -0.02365225090000 0.02283006900000 -0.02372374830000 0.25854646310000 -0.29267827240000 1.75248913630000 -2.17297908410000
0.18938842530000 -0.07409711010000 0.06079771720000 0.20376144900000 -0.21878995760000 -1.33045906140000 -2.93123261660000 1.84010424220000
0.33943523480000 -0.12511835880000 0.14938169590000 -0.11339329220000 1.80835921290000 2.41326955570000 2.58550277950000 -1.23253669560000
0.38217830350000 -0.16351440750000 0.13682452340000 1.16281259830000 -2.89380576000000 -1.86655339430000 -1.56996432300000 0.69253548170000
0.24880190390000 0.06829664790000 -0.03038962280000 -2.42237238070000 1.92523509270000 1.00882649150000 0.74236778940000 -0.33165495190000
0.06255433630000 0.51457154510000 -1.22544940630000 1.97365291630000 -0.81246375450000 -0.43710227520000 -0.29857228760000 0.13797490690000
0.00129953500000 0.52956651030000 1.27724798750000 -0.79610547200000 0.25882678880000 0.13986206340000 0.09568479480000 -0.04514463740000
* g-type functions
6 6
5.47224620
4.19804010
2.70541001
1.36309918
0.70758650
0.31100318
0.00845193510000 -0.05520346610000 0.27401645360000 -0.72091235480000 1.67355030260000 -7.47360963880000
0.04362729840000 0.17195043330000 -0.64372475930000 1.70950540300000 -5.56583693950000 11.59661225280000
0.30000717000000 0.44690389420000 -0.54652524450000 -0.24274294980000 5.75019018130000 -6.22847760470000
0.40659602210000 0.33466435340000 0.77877276710000 -1.74298868410000 -3.51217856830000 2.34273961240000
0.34174854280000 -0.58762951590000 0.40142146060000 2.02266855680000 1.85974289240000 -1.00216102590000
0.15157463570000 -0.46459840430000 -0.85250561980000 -1.05246960880000 -0.57880187850000 0.27523013390000
* h-type functions
4 4
2.81921748
0.84433021
1.56632103
0.40112731
0.40508071860000 -0.68252584170000 1.04909576520000 -1.35645737490000
0.36743633900000 0.54232630160000 -0.35035303770000 -2.41676189490000
0.34789429600000 -0.10789965720000 -1.00279873200000 2.68116420770000
0.10040112270000 0.44582932550000 0.90186697510000 1.14715873110000
|