File: BASIS_pob

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# Basis Sets for Solid-State Calculations
#
# Consistent Gaussian basis sets for solid-state calculations
#
# By Michael F. Peintinger, Daniel Vilela Oliveira and Thomas Bredow
#
#
#
# How to cite:
# Peintinger, M. F., Oliveira, D. V. and Bredow, T. , Consistent gaussian basis sets of
# Triple-Zeta valence with polarization quality for solid-State Calculations.
# J. Comput. Chem. (2013), 34, 451-459. DOI: 10.1002/jcc.23153
#
#@article {JCC:JCC23153,
#author = {Peintinger, Michael F. and Oliveira, Daniel Vilela and Bredow, Thomas},
#title = {Consistent gaussian basis sets of Triple-Zeta valence with polarization quality for solid-State Calculations},
#journal = {Journal of Computational Chemistry},
#publisher = {Wiley Subscription Services, Inc., A Wiley Company},
#issn = {1096-987X},
#url = {https://doi.org/10.1002/jcc.23153},
#doi = {10.1002/jcc.23153},
#pages = {451--459},
#keywords = {CRYSTAL, basis sets, TZVP, solid-state calculations},
#year = {2012},
#}
#
########################################################################################################################
#01_H   04_Be  06_C  08_O  11_Na  13_Al  15_P  17_Cl  20_Ca  22_Ti  24_Cr  26_Fe  28_Ni  30_Zn  32_Ge  34_Se
#03_Li  05_B   07_N  09_F  12_Mg  14_Si  16_S  19_K   21_Sc  23_V   25_Mn  27_Co  29_Cu  31_Ga  33_As  35_Br
########################################################################################################################
 H  pob-TZVP
 4
 1 0 0 3 1
  34.061341000      0.00602519780
  5.1235746000      0.04502109400
  1.1646626000      0.20189726000
 2 0 0 1 1
  0.4157455100      1.00000000000
 2 0 0 1 1
  0.1795111000      1.00000000000
 2 1 1 1 1
  0.8000000000      1.00000000000

 Li pob-TZVP
 5
 1 0 0 6 1
  6269.2628010      0.00020540968826
  940.31612431      0.00159165540890
  214.22107528      0.00828698297070
  60.759840184      0.03385637424900
  19.915152032      0.11103225876000
  7.3171509797      0.27449383329000
 2 0 0 2 1
  2.9724674216      0.23792456411000
  1.2639852314      0.30765411924000
 2 0 0 1 1
  0.5025516200      1.00000000000000
 2 0 0 1 1
  0.1000746200      1.00000000000000
 2 1 1 1 1
  0.1450713300      1.00000000000000

 Be pob-TZVP
 5
 1 0 0 6 1
 4700.2365626        0.00023584389316
 704.82845622        0.00182437910190
 160.43110478        0.00939661482240
 45.425347336        0.03690892415900
 14.798334125        0.10897561281000
 5.3512452537        0.21694284551000
 2 0 0 2 1
 2.1542044819        0.44695408857000
 0.9336374440        0.20866985771000
 2 0 0 1 1
 0.24174508          1.00000000000000
 2 0 0 1 1
 0.12111452          1.00000000000000
 2 1 1 1 1
 0.79262157          1.00000000000000

 B  pob-TZVP
 8
 1 0 0 6 1
  8564.86606870      0.00022837198155
  1284.15162630      0.00176825764470
  292.278716040      0.00914070805160
  82.7754691760      0.03634263898900
  27.0179392690      0.11063458441000
  9.81496196600      0.23367344321000
 2 0 0 2 1
  3.93185590590      0.41818777978000
  1.65955997120      0.22325473798000
 2 0 0 1 1
  0.53318702000      1.00000000000000
 2 0 0 1 1
  0.26659351000      1.00000000000000
 2 1 1 4 1
  22.4538758030      0.00502655751790
  5.10450583300      0.03280173896500
  1.49860813440      0.13151230768000
  0.50927831315      0.33197167769000
 2 1 1 1 1
  0.53857716000      1.00000000000000
 2 1 1 1 1
  0.26928858000      1.00000000000000
 3 2 2 1 1
  0.75005942000      1.00000000000000

 C  pob-TZVP
 8
 1 0 0 6 1
  13575.349682      0.00022245814352
  2035.2333680      0.00172327382520
  463.22562359      0.00892557153140
  131.20019598      0.03572798450200
  42.853015891      0.11076259931000
  15.584185766      0.24295627626000
 2 0 0 2 1
  6.2067138508      0.41440263448000
  2.5764896527      0.23744968655000
 2 0 0 1 1
  0.4941102000      1.00000000000000
 2 0 0 1 1
  0.1644071000      1.00000000000000
 2 1 1 4 1
  34.697232244      0.00533336578050
  7.9582622826      0.03586410909200
  2.3780826883      0.14215873329000
  0.8143320818      0.34270471845000
 2 1 1 1 1
  0.5662417100      1.00000000000000
 2 1 1 1 1
  0.2673545000      1.00000000000000
 3 2 2 1 1
  0.8791584200      1.00000000000000

 N  pob-TZVP
 8
 1 0 0 6 1
  19730.800647      0.00021887984991
  2957.8958745      0.00169607088030
  673.22133595      0.00879546035380
  190.68249494      0.03535938260500
  62.295441898      0.11095789217000
  22.654161182      0.24982972552000
 2 0 0 2 1
  8.9791477428      0.4062389614800
  3.6863002370      0.2433821717600
 2 0 0 1 1
  0.7865398200      1.0000000000000
 2 0 0 1 1
  0.2677997200      1.0000000000000
 2 1 1 4 1
  49.200380510      0.0055552416751
  11.346790537      0.0380523797230
  3.4273972411      0.1495367102900
  1.1785525134      0.3494930523000
 2 1 1 1 1
  0.3780331700      1.0000000000000
 2 1 1 1 1
  0.1473661500      1.0000000000000
 3 2 2 1 1
  0.3612294900      1.0000000000000

 O  pob-TZVP
 8
 1 0 0 6 1
  27032.382631      0.00021726302465
  4052.3871392      0.00168386621990
  922.32722710      0.00873956162650
  261.24070989      0.03523996880800
  85.354641351      0.11153519115000
  31.035035245      0.25588953961000
 2 0 0 2 1
  12.260860728      0.39768730901000
  4.9987076005      0.24627849430000
 2 0 0 1 1
  1.0987136000      1.00000000000000
 2 0 0 1 1
  0.3565870100      1.00000000000000
 2 1 1 4 1
  63.274954801      0.0060685103418
  14.627049379      0.0419125758240
  4.4501223456      0.1615384108800
  1.5275799647      0.3570695131100
 2 1 1 1 1
  0.5489735000      1.0000000000000
 2 1 1 1 1
  0.1858671100      1.0000000000000
 3 2 2 1 1
  0.2534621300      1.0000000000000

 F  pob-TZVP
 8
 1 0 0 6 1
  35479.100441      0.00021545014888
  5318.4728983      0.00167006865270
  1210.4810975      0.00867332114760
  342.85518140      0.03504993317500
  112.01943181      0.11165320133000
  40.714740248      0.25988506647000
 2 0 0 2 1
  16.039678111      0.39422966880000
  6.5038186740      0.24998238551000
 2 0 0 1 1
  1.4420074900      1.00000000000000
 2 0 0 1 1
  0.4597725800      1.00000000000000
 2 1 1 4 1
  80.233900483      0.00636859991340
  18.594010743      0.04430314353000
  5.6867902653      0.16867248708000
  1.9511006294      0.36166346255000
 2 1 1 1 1
  0.6322845200      1.00000000000000
 2 1 1 1 1
  0.1983553200      1.00000000000000
 3 2 2 1 1
  0.5631263500      1.00000000000000

 Na pob-TZVP
 9
 1 0 0 7 1
  26041.1099270      0.00061806342811
  3906.12685480      0.00477486044140
  888.974549930      0.02447168482900
  251.454979610      0.09475539497700
  81.6501435120      0.26867496920000
  28.9041584010      0.47925475440000
  10.6257829320      0.33248591469000
 2 0 0 3 1
  53.7694101790      0.01952773187200
  16.3082430250      0.09264801079400
  2.37303841250     -0.39938670172000
 3 0 0 2 1
  0.95730772603      1.64285953910000
  0.40806460959      0.55692596966000
 3 0 0 1 1
  0.67460191000      1.00000000000000
 3 0 0 1 1
  0.10055549000      1.00000000000000
 2 1 1 5 1
  138.079799890      0.00579518919290
  32.2327003930      0.04162084625100
  9.98160753600      0.16281916885000
  3.48220339280      0.36011784647000
  1.22991346200      0.44858979889000
 2 1 1 1 1
  0.40094322000      1.00000000000000
 2 1 1 1 1
  0.10067345000      1.00000000000000
 3 2 2 1 1
  1.04630000000      1.00000000000000

 Mg pob-TZVP
 9
 1 0 0 7 1
  31438.3495550      0.00060912311326
  4715.51533540      0.00470661964650
  1073.16292470      0.02413582065700
  303.572387680      0.09362895983400
  98.6262510420      0.26646742093000
  34.9438084170      0.47890929917000
  12.8597851990      0.33698490286000
 2 0 0 3 1
  64.8769130040      0.01918088930700
  19.7255207770      0.09091370439200
  2.89518043390     -0.39563756125000
 3 0 0 2 1
  1.19604547100      1.68276033730000
  0.54329451156      0.52141091954000
 3 0 0 1 1
  1.34711883000      1.00000000000000
 3 0 0 1 1
  0.34506887000      1.00000000000000
 2 1 1 5 1
  179.871896120      0.00537995490180
  42.1200693760      0.03931801409800
  13.1205030320      0.15740129476000
  4.62575036090      0.35919094128000
  1.66952110160      0.45533379310000
 2 1 1 1 1
  0.56631001000      1.00000000000000
 2 1 1 1 1
  0.18813966000      1.00000000000000
 3 2 2 1 1
  0.69355357000      1.00000000000000

 Al pob-TZVP
 10
 1 0 0 7 1
  37792.5507720      0.00057047888709
  5668.06821650      0.00440930165380
  1289.85828410      0.02263096741100
  364.865960280      0.08802564429500
  118.576315150      0.25223701612000
  42.0248676050      0.45960547169000
  15.4995016290      0.33277886014000
 2 0 0 3 1
  75.2080265980      0.01925056019000
  23.0314089720      0.08790674395200
  3.63487976490     -0.34246704535000
 3 0 0 2 1
  1.60650499570      1.51062660580000
  0.76103394581      0.58071016470000
 3 0 0 1 1
  0.69881874000      1.00000000000000
 3 0 0 1 1
  0.34940937000      1.00000000000000
 2 1 1 5 1
  452.523031920      0.00231108124660
  107.081950490      0.01856864182300
  34.1310212550      0.08721623703500
  12.5870374280      0.26902101523000
  4.98119197040      0.52128324272000
 3 1 1 1 1
  1.93791887000      1.00000000000000
 3 1 1 1 1
  0.72047185000      1.00000000000000
 3 1 1 1 1
  0.18328583000      1.00000000000000
 3 2 2 1 1
  0.57798580000      1.00000000000000

 Si pob-TZVP
 10
 1 0 0 7 1
  44773.358078      0.00055914765868
  6717.1992104      0.00432060401890
  1528.8960325      0.02218709646000
  432.54746585      0.08648924911600
  140.61505226      0.24939889716000
  49.857636724      0.46017197366000
  18.434974885      0.34250236575000
 2 0 0 3 1
  86.533886111      0.02130006300700
  26.624606846      0.09467613931800
  4.4953057159     -0.32616264859000
 3 0 0 2 1
  2.1035045710      1.39808038500000
  1.0106094922      0.63865786699000
 3 0 0 1 1
  0.7422443800      1.00000000000000
 3 0 0 1 1
  0.2160762500      1.00000000000000
 2 1 1 5 1
  394.47503628      0.00262856939590
  93.137683104      0.02055625774900
  29.519608742      0.09207026280100
  10.781663791      0.25565889739000
  4.1626574778      0.42111707185000
 3 1 1 1 1
  1.4499318500      1.00000000000000
 3 1 1 1 1
  0.5949286700      1.00000000000000
 3 1 1 1 1
  0.1146786100      1.00000000000000
 3 2 2 1 1
  0.5074090300      1.00000000000000

 P  pob-TZVP
 10
 1 0 0 7 1
  52426.999233       0.0005520716410
  7863.2660552       0.0042678595308
  1789.5227333       0.0219315291860
  506.27300165       0.0856671683730
  164.60698546       0.2484068660500
  58.391918722       0.4633675397100
  21.643663201       0.3535055815600
 2 0 0 3 1
  99.013837620       0.0218956799580
  30.550439817       0.0956504702950
  5.4537087661      -0.2945427018600
 3 0 0 2 1
  2.6503362563       1.3294381200000
  1.2726688867       0.6610939647300
 3 0 0 1 1
  0.3072409700       1.0000000000000
 3 0 0 1 1
  0.1102708300       1.0000000000000
 2 1 1 5 1
  472.27219248       0.0025710623052
  111.58882756       0.0202502979990
  35.445936418       0.0915807167870
  12.990776875       0.2574945401400
  5.0486221658       0.4286289975800
 3 1 1 1 1
  1.8889755200       1.0000000000000
 3 1 1 1 1
  0.4424064200       1.0000000000000
 3 1 1 1 1
  0.1573225300       1.0000000000000
 3 2 2 1 1
  0.5061295000       1.0000000000000

 S  pob-TZVP
 10
 1 0 0 7 1
  60700.928104     0.00054695944225
  9102.6106854     0.00422972245570
  2071.4166009     0.02174782415900
  586.02476821     0.08510005358900
  190.55395021     0.24799128459000
  67.630384260     0.46703640406000
  25.127306905     0.36434587550000
 2 0 0 3 1
  112.57463010     0.02167004024000
  34.795554217     0.09360230176000
  6.5115556215    -0.26068001422000
 3 0 0 2 1
  3.2399032261     1.28420894350000
  1.5477160881     0.66036416584000
 3 0 0 1 1
  0.2887335200     1.00000000000000
 3 0 0 1 1
  0.1153457200     1.00000000000000
 2 1 1 5 1
  564.36716027     0.00247967963170
  133.42624379     0.01967793025000
  42.468271189     0.08998000825800
  15.616527580     0.25705880575000
  6.1093988469     0.43515167292000
 3 1 1 1 1
  2.0359436000     1.00000000000000
 3 1 1 1 1
  0.3337928300     1.00000000000000
 3 1 1 1 1
  0.1155009100     1.00000000000000
 3 2 2 1 1
  0.5207010100     1.00000000000000

 Cl pob-TZVP
 10
 1 0 0 7 1
  69507.990945      0.00054314897497
  10426.156880      0.00419904639610
  2373.2334061      0.02159214167900
  671.56420071      0.08459885009400
  218.41999790      0.24757249724000
  77.572249714      0.47016930228000
  28.888815277      0.37436370716000
 2 0 0 3 1
  127.10527185      0.02518216660300
  39.339582961      0.10786112456000
  7.6740679989     -0.27408821574000
 3 0 0 2 1
  3.8745627630      1.32138750140000
  1.8385832573      0.68636955368000
 3 0 0 1 1
  0.4498594500      1.00000000000000
 3 0 0 1 1
  0.1363703100      1.00000000000000
 2 1 1 5 1
  666.50423284      0.00236326638360
  157.64241690      0.01887930037400
  50.262520978      0.08720634127300
  18.536078105      0.25285612970000
  7.2940532777      0.43507154820000
 3 1 1 1 1
  2.80149164000     1.00000000000000
 3 1 1 1 1
  0.73964278000     1.00000000000000
 3 1 1 1 1
  0.21056105000     1.00000000000000
 3 2 2 1 1
  0.23728440000     1.00000000000000

 K  pob-TZVP
 11
 1 0 0 8 1
  153976.183250      0.00023662636107
  23082.4976720      0.00183429291370
  5253.23447450      0.00953105277690
  1486.95501330      0.03863840698000
  484.063337260      0.12480768502000
  173.566539800      0.29278861009000
  67.1163814640      0.40633425860000
  26.3395020540      0.20077215860000
 2 0 0 4 1
  172.876935670     -0.02420096093600
  53.0586490630     -0.11553095040000
  7.92127539640      0.57455545175000
  3.21088804720      0.57023185107000
 3 0 0 2 1
  4.56620708950     -0.22615763466000
  0.70209907282      0.75528392045000
 4 0 0 1 1
  0.91009660000      1.00000000000000
 4 0 0 1 1
  0.31839021000      1.00000000000000
 4 0 0 1 1
  0.10000178000      1.00000000000000
 2 1 1 6 1
  728.184498730      0.00261506897920
  172.132650610      0.02067363083500
  54.8298470750      0.09320560387000
  20.1662664940      0.25436518210000
  7.86107288060      0.39131132810000
  3.11052131320      0.22481345943000
 3 1 1 3 1
  11.7573374920     -0.02577728921700
  1.51396174110      0.57359428604000
  0.58328591795      1.07983200020000
 3 1 1 1 1
  0.31652437000      1.00000000000000
 3 1 1 1 1
  0.12001438000      1.00000000000000
 3 2 2 1 1
  0.29120633000      1.00000000000000

 Ca pob-TZVP
 11
 1 0 0 8 1
  172517.326850      0.00023317502546
  25861.5192750      0.00180765219800
  5885.66186680      0.00939438442550
  1665.97300310      0.03810840900900
  542.367181480      0.12331203853000
  194.578034920      0.29004470954000
  75.3035976360      0.40587151157000
  29.5740625890      0.20398410743000
 2 0 0 4 1
  191.200746600     -0.02441975975900
  58.8402998830     -0.11547027448000
  8.96425408450      0.56356636717000
  3.68569605410      0.56709682704000
 3 0 0 2 1
  5.24642897260     -0.22825334325000
  0.84862621528      0.72625219172000
 4 0 0 1 1
  1.30710626000      1.00000000000000
 4 0 0 1 1
  0.38027232000      1.00000000000000
 4 0 0 1 1
  0.16014616000      1.00000000000000
 2 1 1 6 1
  836.972620580      0.00252583460920
  197.930401420      0.02007650668600
  63.1355580540      0.09130298736600
  23.2826871700      0.25247029915000
  9.11764449320      0.39426326344000
  3.63361201390      0.23011559492000
 3 1 1 3 1
  13.4941631200     -0.02649502195100
  1.81392597900      0.55088108210000
  0.71981826006      1.02806166200000
 3 1 1 1 1
  0.36108303000      1.00000000000000
 3 1 1 1 1
  0.16029529000      1.00000000000000
 3 2 2 1 1
  0.78864471000      1.00000000000000

 Sc pob-TZVP
 14
 1 0 0 8 1
  191612.918740      0.00023076475942
  28723.8503630      0.00178903299460
  6537.01164900      0.00929904011400
  1850.30971710      0.03773943801100
  602.388551560      0.12227148359000
  216.173247660      0.28814821470000
  83.7125178800      0.40517543099000
  32.9087071890      0.20566019623000
 2 0 0 4 1
  211.343932340     -0.02452799146200
  65.1289201390     -0.11570158142000
  10.0343115350      0.55995283317000
  4.15968845970      0.56087765073000
 3 0 0 2 1
  6.00090416130     -0.22840494325000
  0.98255784150      0.71948970378000
 4 0 0 1 1
  1.42204508000      1.00000000000000
 4 0 0 1 1
  0.41466167000      1.00000000000000
 4 0 0 1 1
  0.14961565000      1.00000000000000
 2 1 1 6 1
  947.341228230      0.00247372087440
  224.096997320      0.01974296706000
  71.5603348820      0.09035714754900
  26.4448244900      0.25201602503000
  10.3937982850      0.39675535929000
  4.16063045590      0.23208624517000
 3 1 1 3 1
  15.5657371350     -0.02712942397400
  2.11215448650      0.55109256629000
  0.84184709021      1.00906358060000
 3 1 1 1 1
  0.63537059000      1.00000000000000
 3 1 1 1 1
  0.31768530000      1.00000000000000
 3 2 2 4 1
  30.9893909930      0.01190283743100
  8.69054650690      0.06765585685000
  2.95202563370      0.21332539722000
  1.07619107450      0.38391075578000
 3 2 2 1 1
  0.35567614000      1.00000000000000
 3 2 2 1 1
  0.12383645000      1.00000000000000
 4 3 3 1 1
  0.34500000000      1.00000000000000

 Ti pob-TZVP
 14
 1 0 0 8 1
  211575.690250      0.00023318151011
  31714.9450580      0.00180796908510
  7217.54765430      0.00939843113520
  2042.93942470      0.03815685361800
  665.128962080      0.12374757197000
  238.749422640      0.29208551143000
  92.5086910010      0.41226800855000
  36.4039192090      0.21090534061000
 2 0 0 4 1
  232.726246070     -0.02492014073800
  71.7912097110     -0.11746490087000
  11.1585346150      0.56503342318000
  4.65481354160      0.56211101812000
 3 0 0 2 1
  6.80346291740     -0.23011425503000
  1.12010764030      0.72103186735000
 4 0 0 1 1
  1.74504592000      1.00000000000000
 4 0 0 1 1
  0.63463883000      1.00000000000000
 4 0 0 1 1
  0.21154627700      1.00000000000000
 2 1 1 6 1
  1063.14747320      0.00246908393200
  251.565070610      0.01977334552300
  80.4085548540      0.09098797667200
  29.7681932690      0.25559900413000
  11.7368305560      0.40489386764000
  4.71423752300      0.23693402558000
 3 1 1 3 1
  17.7968037040     -0.02787863961500
  2.42726986800      0.55672914668000
  0.96823445537      1.00554473500000
 3 1 1 1 1
  1.73304386000      1.00000000000000
 3 1 1 1 1
  0.37056694000      1.00000000000000
 3 2 2 4 1
  37.7133847230      0.01151383509200
  10.6929311840      0.06724634399600
  3.67284469900      0.21484207775000
  1.35885903030      0.38890892779000
 3 2 2 1 1
  0.86367514000      1.00000000000000
 3 2 2 1 1
  0.43183757000      1.00000000000000
 4 3 3 1 1
 0.562000000000      1.00000000000000

 V  pob-TZVP
 14
 1 0 0 8 1
  232340.65058      0.00023072410092
  34828.841170      0.00178881789620
  7926.5448691      0.00929924901310
  2243.7733046      0.03776146334700
  730.59322944      0.12255909662000
  262.32219631      0.28963508811000
  101.70403805      0.41004702955000
  40.064784617      0.21113610858000
 2 0 0 4 1
  255.24014968     -0.02445811633800
  78.804646961     -0.11527205366000
  12.340598946      0.55174749453000
  5.1742019219      0.54504528489000
 3 0 0 2 1
  7.6513894469     -0.22967638286000
  1.2639759898      0.71683769077000
 4 0 0 1 1
  2.0363959000      1.00000000000000
 4 0 0 1 1
  0.5857304500      1.00000000000000
 4 0 0 1 1
  0.2750729900      1.00000000000000
 2 1 1 6 1
  1184.2369151      0.00244498267290
  280.23075192      0.01964345446600
  89.643627137      0.09079694919000
  33.242411253      0.25650768222000
  13.144514452      0.40815393750000
  5.2948534140      0.23860378268000
 3 1 1 3 1
  20.175586851     -0.02824148902300
  2.7605865197      0.55574635619000
  1.1008900902      0.99319919270000
 3 1 1 1 1
  0.7153797600      1.00000000000000
 3 1 1 1 1
  0.2384599200      1.00000000000000
 3 2 2 4 1
  43.861134864      0.01148717423800
  12.516021891      0.06824715397700
  4.3313854957      0.21837784195000
  1.6138855773      0.39245212296000
 3 2 2 1 1
  0.5790593700      1.00000000000000
 3 2 2 1 1
  0.2143837300      1.00000000000000
 4 3 3 1 1
  0.8310000000      1.00000000000000

 Cr pob-TZVP
 14
 1 0 0 8 1
  254477.80704      0.00023386945693
  38131.797054      0.00181426018000
  8675.2930607      0.00943639257210
  2455.0099848      0.03834363936700
  799.16217787      0.12459194837000
  286.90021489      0.29489696029000
  111.25413232      0.41846149607000
  43.864152636      0.21633763420000
 2 0 0 4 1
  279.32669173     -0.02345090811100
  86.274732376     -0.11080370027000
  13.555756113      0.53028965842000
  5.6978112751      0.51603516947000
 3 0 0 2 1
  8.5636582615     -0.38109545675000
  1.3988296768      1.19915914360000
 4 0 0 1 1
  1.5142137900      1.00000000000000
 4 0 0 1 1
  0.5047379300      1.00000000000000
 4 0 0 1 1
  0.1505787700      1.00000000000000
 2 1 1 6 1
  1306.4398864      0.00242773261850
  309.25311441      0.01954404101700
  98.996273963      0.09065179455300
  36.756916451      0.25699279154000
  14.566657077      0.40935504891000
  5.8739937432      0.23729388849000
 3 1 1 3 1
  22.890999695     -0.02816602661300
  3.0855001822      0.56034120148000
  1.2132329118      0.98119019650000
 3 1 1 1 1
  0.4593168100      1.00000000000000
 3 1 1 1 1
  0.2296584050      1.0000000000000
 3 2 2 4 1
  43.720074476      0.01362296402600
  12.391242652      0.07893518013300
  4.2639442006      0.23833840000000
  1.5525221790      0.39526851122000
 3 2 2 1 1
  1.1288617700      1.00000000000000
 3 2 2 1 1
  0.5172623600      1.00000000000000
 4 3 3 1 1
  1.1470000000      1.00000000000000

 Mn pob-TZVP
 14
 1 0 0 8 1
  277185.00153      0.00022838385133
  41550.769890      0.00177076503750
  9455.9700152      0.00920772099940
  2676.5206482      0.03741597182500
  871.46687530      0.12164861426000
  312.98306420      0.28824392499000
  121.44454051      0.41041600847000
  47.922598829      0.21372375145000
 2 0 0 4 1
  303.66723163     -0.02458992614000
  93.881403187     -0.11602608038000
  14.879421214      0.55112059677000
  6.2865200745      0.53707560756000
 3 0 0 2 1
  9.4858591337     -0.22889262695000
  1.5698706158      0.71196169587000
 4 0 0 1 1
  2.1881832800      1.00000000000000
 4 0 0 1 1
  0.6599294200      1.00000000000000
 4 0 0 1 1
  0.1011885900      1.00000000000000
 2 1 1 6 1
  1444.7978182      0.0023994136455
  342.06551197      0.0193692868640
  109.58400891      0.0902361089880
  40.747988173      0.2574546785100
  16.188626566      0.4127235195800
  6.5484505964      0.2408770000700
 3 1 1 3 1
  25.357086437     -0.0287071740580
  3.4830168782      0.5520810071200
  1.3858800906      0.9722690137900
 3 1 1 1 1
  1.1854291400      1.0000000000000
 3 1 1 1 1
  0.5353715500      1.0000000000000
 3 2 2 4 1
  56.563189119      0.0115432452950
  16.278734711      0.0702998459870
  5.6964273914      0.2245077082100
  2.1411147942      0.3970306543400
 3 2 2 1 1
  0.7529196500      1.0000000000000
 3 2 2 1 1
  0.2283584800      1.0000000000000
 4 3 3 1 1
  1.3260000000      1.0000000000000

 Fe pob-TZVP
 14
 1 0 0 8 1
  300784.84637      0.00022806273096
  45088.970557      0.00176817887610
  10262.516317      0.00919270834900
  2905.2897293      0.03735549580700
  946.11487137      0.12151108426000
  339.87832894      0.28818881468000
  131.94425588      0.41126612677000
  52.111494077      0.21518583573000
 2 0 0 4 1
  329.48839267     -0.02474521647700
  101.92332739     -0.11683089050000
  16.240462745      0.55293621136000
  6.8840675801      0.53601640182000
 3 0 0 2 1
  10.470693782     -0.22912708577000
  1.7360039648      0.71159319984000
 4 0 0 1 1
  1.7565166800      1.00000000000000
 4 0 0 1 1
  0.77548354        1.00000000000000
 4 0 0 1 1
  0.1058918100      1.00000000000000
 2 1 1 6 1
  1585.3959970      0.00237939601790
  375.38006499      0.01925315475500
  120.31816501      0.09002183653600
  44.788749031      0.25798172356000
  17.829278584      0.41492649744000
  7.2247153786      0.24207474784000
 3 1 1 3 1
  28.143219756     -0.02904175515200
  3.8743241412      0.55312260343000
  1.5410752281      0.96771136842000
 3 1 1 1 1
  0.9336590800      1.00000000000000
 3 1 1 1 1
  0.1999999900      1.00000000000000
 3 2 2 4 1
  61.996675034      0.01197197225500
  17.873732552      0.07321013541000
  6.2744782934      0.23103094314000
  2.3552337175      0.39910706494000
 3 2 2 1 1
  0.8417158200      1.00000000000000
 3 2 2 1 1
  0.2611100300      1.00000000000000
 4 3 3 1 1
  1.5980000000      1.00000000000000

 Co pob-TZVP
 14
 1 0 0 8 1
  325817.01553      0.00022568462484
  48839.636453      0.00174993975330
  11114.937307      0.00910031340970
  3146.1603642      0.03699625683700
  1024.4378465      0.12044269621000
  368.02508816      0.28598731649000
  142.91229205      0.40908312004000
  56.482649209      0.21500145739000
 2 0 0 4 1
  356.40298318     -0.02476705967800
  110.31165215     -0.11702139134000
  17.659634834      0.55215522200000
  7.5059030479      0.53246877060000
 3 0 0 2 1
  11.501807176     -0.22942470077000
  1.9081994606      0.71180933514000
 4 0 0 1 1
  2.6083233500      1.00000000000000
 4 0 0 1 1
  0.7955677300      1.00000000000000
 4 0 0 1 1
  0.1356673700      1.00000000000000
 2 1 1 6 1
  1731.1369144      0.00239057676850
  409.91750438      0.01938299996700
  131.45648578      0.09090544850900
  48.987439714      0.26146681577000
  19.537078992      0.42157264570000
  7.9287281634      0.24571813557000
 3 1 1 3 1
  31.076017584     -0.02943806997300
  4.2835180697      0.55615568168000
  1.7022921563      0.96772195064000
 3 1 1 1 1
  1.1628100700      1.00000000000000
 3 1 1 1 1
  0.7018644100      1.00000000000000
 3 2 2 4 1
  68.140745239      0.01198384536000
  19.685241019      0.07368854047500
  6.9322128825      0.23085496779000
  2.6025125694      0.39281059225000
 3 2 2 1 1
  0.9207081800      1.00000000000000
 3 2 2 1 1
  0.2922317400      1.00000000000000
 4 3 3 1 1
  1.9030000000      1.00000000000000

 Ni pob-TZVP
 14
 1 0 0 8 1
  351535.72935      0.00022529386884
  52695.809283      0.00174686162230
  11992.468293      0.00908499921360
  3394.5776689      0.03694074844700
  1105.3594585      0.12032819950000
  397.14677769      0.28596715057000
  154.27542974      0.40983020196000
  61.018723780      0.21620642851000
 2 0 0 4 1
  384.45559739     -0.02465127926800
  119.04879199     -0.11658505277000
  19.137012223      0.54864126676000
  8.1526718562      0.52640051122000
 3 0 0 2 1
  12.579408642     -0.22797884293000
  2.0870866081      0.70703738215000
 4 0 0 1 1
  2.9480296700      1.00000000000000
 4 0 0 1 1
  0.87308901        1.00000000000000
 4 0 0 1 1
  0.16787354        1.00000000000000
 2 1 1 6 1
  1883.0907486      0.00237482584430
  445.95155320      0.01928945717200
  143.08430815      0.09071821150700
  53.372920722      0.26181414117000
  21.321919357      0.42309149832000
  8.6643561994      0.24641686015000
 3 1 1 3 1
  34.144255211     -0.02967712916300
  4.7122455921      0.55616824096000
  1.8709231845      0.96357766460000
 3 1 1 1 1
  1.0453650800      1.00000000000000
 3 1 1 1 1
  0.4276468400      1.00000000000000
 3 2 2 4 1
  74.591603465      0.01207745467200
  21.590632752      0.07463726215400
  7.6246142580      0.23236775502000
  2.8632206762      0.39042651680000
 3 2 2 1 1
  1.0075942000      1.00000000000000
 3 2 2 1 1
  0.3167209900      1.00000000000000
 4 3 3 1 1
  2.1740000000      1.00000000000000

 Cu pob-TZVP
 14
 1 0 0 8 1
  377518.79923      0.00022811766128
  56589.984311      0.00176880359310
  12878.711706      0.00919934602270
  3645.3752143      0.03741101643400
  1187.0072945      0.12189873737000
  426.46421902      0.28983900714000
  165.70660164      0.41531872174000
  65.598942707      0.21905799287000
 2 0 0 4 1
  414.41265811     -0.02468252505300
  128.32056039     -0.11716827406000
  20.622089750      0.55301315941000
  8.7821226045      0.52242718609000
 3 0 0 2 1
  13.741372006     -0.22736061821000
  2.2431246833      0.71761210873000
 4 0 0 1 1
  0.8152953200      1.00000000000000
 4 0 0 1 1
  0.4076476600      1.00000000000000
 4 0 0 1 1
  0.1768011100      1.00000000000000
 2 1 1 6 1
  2034.7596692      0.00235248222980
  481.90468106      0.01913407075100
  154.67482963      0.09017110527800
  57.740576969      0.26063284735000
  23.099052811      0.42093485770000
  9.3882478591      0.24344615121000
 3 1 1 3 1
  37.596171210     -0.02899109453000
  5.1240690810      0.54919083831000
  2.0119996085      0.93793330488000
 3 1 1 1 1
  1.4641814000      1.00000000000000
 3 1 1 1 1
  0.7320907000      1.00000000000000
 3 2 2 4 1
  74.129460637      0.01436321667600
  21.359842587      0.08662817709600
  7.4995240537      0.25631430541000
  2.7601394169      0.40374062368000
 3 2 2 1 1
  1.4592938300      1.00000000000000
 3 2 2 1 1
  0.6355722500      1.00000000000000
 4 3 3 1 1
  2.2330000000      1.00000000000000

 Zn pob-TZVP
 14
 1 0 0 8 1
  405924.31028      0.00022442017483
  60846.955735      0.00174020866260
  13847.343092      0.00905133395650
  3919.6158551      0.03681734144500
  1276.3594167      0.12004850256000
  458.67254435      0.28576057621000
  178.28725246      0.41087462062000
  70.612192837      0.21816962456000
 2 0 0 4 1
  443.88077950     -0.02493427498400
  137.55875267     -0.11817955766000
  22.268083479      0.55367318468000
  9.5217310606      0.52628934936000
 3 0 0 2 1
  14.874114065     -0.22929955254000
  2.4647517612      0.71135484742000
 4 0 0 1 1
  1.0113272200      1.00000000000000
 4 0 0 1 1
  0.322980200       1.00000000000000
 4 0 0 1 1
  0.1016731100      1.00000000000000
 2 1 1 6 1
  2205.3508534      0.00233562404480
  522.35300699      0.01903102263400
  167.73055542      0.08995575867500
  62.670045373      0.26113248631000
  25.109749456      0.42348448173000
  10.225142681      0.24618926885000
 3 1 1 3 1
  40.713442521     -0.03002966759200
  5.6247090696      0.55575254864000
  2.2279949116      0.95581013442000
 3 1 1 1 1
  1.1601141800      1.00000000000000
 3 1 1 1 1
  0.2624550000      1.00000000000000
 3 2 2 4 1
  88.554315311      0.01272817001500
  25.721525557      0.07939449984300
  9.1278367624      0.24491506805000
  3.4312364064      0.40390526479000
 3 2 2 1 1
  1.1861283200      1.00000000000000
 3 2 2 1 1
  0.4308920600      1.00000000000000
 4 3 3 1 1
  2.6140000000      1.00000000000000

 Ga pob-TZVP
 15
 1 0 0 8 1
  435548.66254      0.00023646329650
  65289.589031      0.00183352717760
  14858.784256      0.00953718630810
  4205.9734729      0.03880341246800
  1369.6416431      0.12661604848000
  492.30348905      0.30175310292000
  191.41923233      0.43543934218000
  75.840558665      0.23282363780000
 2 0 0 4 1
  474.30810613     -0.02674370795800
  147.10297560     -0.12654657542000
  23.982599435      0.58840346839000
  10.298230094      0.56324271589000
 3 0 0 2 1
  16.050381430     -0.24516439508000
  2.6988468784      0.74578049593000
 4 0 0 1 1
  1.1590064400      1.00000000000000
 4 0 0 1 1
  0.5763081300      1.00000000000000
 4 0 0 1 1
  0.2433825700      1.00000000000000
 2 1 1 6 1
  2432.0171070      0.00224340659280
  576.12049582      0.01834226533600
  185.11584354      0.08727969716700
  69.246572556      0.25684868351000
  27.818107777      0.42398378107000
  11.420229938      0.25701340043000
 3 1 1 3 1
  42.819661530     -0.01932651911900
  6.3885901000      0.31571386917000
  2.6698993326      0.57617792822000
 4 1 1 1 1
  1.0663932200      1.00000000000000
 4 1 1 1 1
  0.3641398200      1.00000000000000
 4 1 1 1 1
  0.1148217200      1.00000000000000
 3 2 2 5 1
  103.92331829      0.01146461365200
  30.371094389      0.07362574738300
  10.872078097      0.23505107382000
  4.1549137954      0.40318563513000
  1.5345659145      0.40824748152000
 4 2 2 1 1
  1.7915711500      1.00000000000000
 4 2 2 1 1
  0.7852028800      1.00000000000000
 4 2 2 1 1
  0.2830723400      1.00000000000000

 Ge pob-TZVP
 15
 1 0 0 8 1
  466115.00592      0.0002248726466
  69875.420762      0.0017435426729
  15903.276716      0.0090691482206
  4501.8233453      0.0369061746850
  1466.0570924      0.1205016790700
  527.07841728      0.2874864170300
  205.00395074      0.4162232188500
  81.251596065      0.2239784569500
 2 0 0 4 1
  505.74661282     -0.0251846092910
  156.96593744     -0.1189892972100
  25.761448176      0.5493013587000
  11.106654687      0.5293930912900
 3 0 0 2 1
  17.272059104     -0.2285459572800
  2.9438289048      0.6837793031700
 4 0 0 1 1
  1.2786569600      1.0000000000000
 4 0 0 1 1
  0.3368300500      1.0000000000000
 4 0 0 1 1
  0.16841502500     1.0000000000000
 2 1 1 6 1
  2633.9346241      0.0022143925310
  624.00161628      0.0181408991410
  200.58528404      0.0866321849220
  75.097081525      0.2564902059200
  30.214388474      0.4265861126200
  12.440087567      0.2620052731300
 3 1 1 3 1
  45.981316002     -0.0203217676780
  6.9945654416      0.3201374452700
  2.9686001327      0.5905101455500
 4 1 1 1 1
  1.2044364000      1.0000000000000
 4 1 1 1 1
  0.4237841000      1.0000000000000
 4 1 1 1 1
  0.2118920500      1.0000000000000
 3 2 2 5 1
  119.44887581      0.0105865445210
  35.062915293      0.0696012809450
  12.636924529      0.2280703528700
  4.8888672922      0.4030106722000
  1.8453195392      0.4130484701500
 4 2 2 1 1
  1.9531065900      1.0000000000000
 4 2 2 1 1
  0.6401807200      1.0000000000000
 4 2 2 1 1
  0.1305796200      1.0000000000000

 As pob-TZVP
 15
 1 0 0 8 1
  498032.42158      0.00022740196900
  74656.868743      0.00176328164130
  16990.960004      0.00917280403810
  4809.6200321      0.03733782934400
  1566.2887055      0.12199536117000
  563.21360499      0.29137475324000
  219.11179978      0.42326351479000
  86.866061030      0.22921464278000
 2 0 0 4 1
  538.19512479     -0.02525419729700
  167.14850224     -0.11915461115000
  27.605517159      0.54628495980000
  11.947858521      0.53001520976000
 3 0 0 2 1
  18.538023133     -0.23479188136000
  3.2018985739      0.69167053428000
 4 0 0 1 1
  1.7882833500      1.00000000000000
 4 0 0 1 1
  0.5960944500      1.00000000000000
 4 0 0 1 1
  0.2162856800      1.00000000000000
 2 1 1 6 1
  2678.9421546      0.00233189552870
  634.61765840      0.01904214997700
  203.93967606      0.09022974491300
  76.323890369      0.26169037693000
  30.664124943      0.41857168155000
  12.505056732      0.23447830190000
 3 1 1 4 1
  49.256229549     -0.02123553987000
  7.7274891466      0.30470206668000
  3.5410493476      0.52888373107000
  1.6985585501      0.37272250955000
 4 1 1 1 1
  0.8684807100      1.00000000000000
 4 1 1 1 1
  0.4172966600      1.00000000000000
 4 1 1 1 1
  0.1070219000      1.00000000000000
 3 2 2 5 1
  135.33289305      0.00992911441060
  39.860212744      0.06656884349600
  14.446428359      0.22275768307000
  5.6432900356      0.40309224382000
  2.1668188623      0.41671667946000
 4 2 2 1 1
  1.8975050400      1.00000000000000
 4 2 2 1 1
  0.9487525200      1.00000000000000
 4 2 2 1 1
  0.4743762600      1.00000000000000

 Se pob-TZVP
 15
 1 0 0 8 1
  531071.66696      0.00024108973168
  79603.044117      0.00186964314410
  18115.844240      0.00972716165360
  5127.8923194      0.03960479303100
  1669.9130839      0.12948855136000
  600.57534527      0.30959437289000
  233.70021247      0.45115769216000
  92.672443932      0.24579189033000
 2 0 0 4 1
  571.57513675     -0.02689570788100
  177.63686375     -0.12670989353000
  29.517767052      0.57699001719000
  12.824399795      0.56369075408000
 3 0 0 2 1
  19.848235841     -0.25132415534000
  3.4744018486      0.72905416980000
 4 0 0 1 1
  1.1988909800      1.00000000000000
 4 0 0 1 1
  0.2102537200      1.00000000000000
 4 0 0 1 1
  0.1000000000      1.00000000000000
 2 1 1 6 1
  2815.3500566      0.00255690268540
  666.92558298      0.02087402690100
  214.34213188      0.09877209625000
  80.246687942      0.28471821221000
  32.251081288      0.45003584934000
  13.106432562      0.24416091055000
 3 1 1 4 1
  53.366108516     -0.02155845627300
  8.1827777195      0.32662310638000
  3.6239945672      0.57740499319000
  1.6341591401      0.34301320826000
 4 1 1 1 1
  0.9841832000      1.00000000000000
 4 1 1 1 1
  0.4396626900      1.00000000000000
 4 1 1 1 1
  0.1000000000      1.00000000000000
 3 2 2 5 1
  151.82910279      0.00939702769880
  44.839992523      0.06408650399100
  16.328999510      0.21834238004000
  6.4305057612      0.40314789649000
  2.5048025169      0.41966491490000
 4 2 2 1 1
  1.1031689800      1.00000000000000
 4 2 2 1 1
  0.4307032000      1.00000000000000
 4 2 2 1 1
  0.21535160000     1.00000000000000

 Br pob-TZVP
 15
 1 0 0 8 1
  565073.25256      0.0002366031469
  84701.723179      0.0018348332508
  19276.271900      0.0095465849860
  5456.4284576      0.0388771421530
  1776.9503500      0.1271831423100
  639.19398276      0.3043766219100
  248.78823961      0.4449094049700
  98.678305494      0.2438164305800
 2 0 0 4 1
  606.07824568     -0.0265271587090
  188.45598484     -0.1248458480900
  31.497144506      0.5646868355900
  13.736008320      0.5555526856400
 3 0 0 2 1
  21.203212766     -0.2494092049300
  3.7616420178      0.7121311974300
 4 0 0 1 1
  1.4940008700      1.0000000000000
 4 0 0 1 1
  0.5908622600      1.0000000000000
 4 0 0 1 1
  0.1454311300      1.0000000000000
 2 1 1 6 1
  3019.6955723      0.0024971049798
  715.35481126      0.0204192675960
  229.98328751      0.0968971483090
  86.167844615      0.2805390125200
  34.667870802      0.4460639047300
  14.113870307      0.2441007392300
 3 1 1 4 1
  57.085653082     -0.0218559507100
  8.8193845840      0.3270707532000
  3.9340302872      0.5785522952000
  1.7998830384      0.3357098769800
 4 1 1 1 1
  1.5874541800      1.0000000000000
 4 1 1 1 1
  0.4896365520      1.0000000000000
 4 1 1 1 1
  0.150040570       1.0000000000000
 3 2 2 5 1
  168.85370257      0.0089663981988
  49.977949919      0.0620620593160
  18.274913338      0.2147473238400
  7.2455694631      0.4033533674600
  2.8562315025      0.4220881308000
 4 2 2 1 1
  1.0111406400      1.0000000000000
 4 2 2 1 1
  0.4296930700      1.0000000000000
 4 2 2 1 1
  0.2143006900      1.0000000000000

# Augmentation sets based on MOLOPT exponents
########################################################################################################################
#01_H   04_Be  06_C  08_O  11_Na  13_Al  15_P  17_Cl  20_Ca  22_Ti  24_Cr  26_Fe  28_Ni  30_Zn  32_Ge  34_Se
#03_Li  05_B   07_N  09_F  12_Mg  14_Si  16_S  19_K   21_Sc  23_V   25_Mn  27_Co  29_Cu  31_Ga  33_As  35_Br
########################################################################################################################
 H  plus-pob-TZVP
 1
 2 0 0 1 1
  0.082193184441    1.00000000000

 Li plus-pob-TZVP
 1
 2 0 0 1 1
  0.032613166298    1.00000000000000

 Be plus-pob-TZVP
 1
 2 0 0 1 1
 0.074144067364      1.00000000000000

 B  plus-pob-TZVP
 1
 2 0 1 1 1 1
  0.101655384143     1.00000000000000     1.00000000000000

 C  plus-pob-TZVP
 2
 2 0 1 1 1 1
  0.075144725465     1.00000000000000     1.00000000000000
 2 0 0 1 1
  0.030286753006     1.00000000000000

 N  plus-pob-TZVP
 2
 2 0 1 1 1 1
  0.084582888713    1.0000000000000       1.00000000000000
 2 0 0 1 1
  0.039193834928     1.00000000000000

 O  plus-pob-TZVP
 2
 2 0 0 1 1
  0.142977330880     1.00000000000000
 2 0 1 1 1 1
  0.046760918300    1.0000000000000       1.00000000000000

 F  plus-pob-TZVP
 2
 2 0 0 1 1
  0.157658905678     1.00000000000000
 2 0 1 1 1 1
  0.048130255107    1.0000000000000       1.00000000000000

 Na plus-pob-TZVP
 1
 3 0 1 1 1 1
  0.049895108245     1.00000000000000     1.00000000000000

 Mg plus-pob-TZVP
 2
 3 0 0 1 1
  0.168626419621     1.00000000000000
 3 0 1 1 1 1
  0.059428253135     1.00000000000000     1.0000000000000

 Al plus-pob-TZVP
 2
 3 0 0 1 1
  0.242418503788     1.00000000000000
 3 0 1 1 1 1
  0.078268495175     1.00000000000000     1.000000000000

 Si plus-pob-TZVP
 2
 3 0 0 1 1
  0.139986977410    1.00000000000000
 3 0 1 1 1 1
  0.068212286977    1.00000000000000    1.0000000000

 P  plus-pob-TZVP
 1
 3 0 1 1 1 1
  0.075778343330     1.0000000000000    1.0000000000

 S  plus-pob-TZVP
 1
 3 0 1 1 1 1
  0.070570776865   1.00000000000000     1.0000000000

 Cl plus-pob-TZVP
 1
 3 0 1 1 1 1
  0.089684813445    1.00000000000000    1.0000000000

 K  plus-pob-TZVP
 1
 4 0 1 1 1 1
  0.03685406000      1.00000000000000   1.0000000000

 Ca plus-pob-TZVP
 1
 4 0 1 1 1 1
  0.05500016000      1.00000000000000   1.00000000000

 Sc plus-pob-TZVP
 1
 4 0 2 1 1 1 1
  0.05442881000      1.00000000000000    1.000000000  1.00000000

 Ti plus-pob-TZVP
 1
 4 0 2 1 1 1 1
  0.07707846000      1.00000000000000    1.000000000  1.00000000

 V  plus-pob-TZVP
 1
 4 0 2 1 1 1 1
  0.06739027000      1.00000000000000    1.000000000  1.00000000

 Cr plus-pob-TZVP
 1
 4 0 2 1 1 1 1
  0.09628516000      1.00000000000000    1.000000000  1.00000000

 Mn plus-pob-TZVP
 1
 4 1 2 1 1 1
  0.1019242300      1.00000000000000     1.0000000000

 Fe plus-pob-TZVP
 1
 4 1 2 1 1 1
  0.1034740500      1.00000000000000     1.0000000000

 Co plus-pob-TZVP
 1
 4 0 2 1 1 1 1
  0.0958401800      1.00000000000000     1.0000000000   1.00000000

 Ni plus-pob-TZVP
 1
 4 0 2 1 1 1 1
  0.0994657700      1.00000000000000     1.0000000000   1.00000000

 Cu plus-pob-TZVP
 1
 4 0 2 1 1 1 1
  0.0616842300      1.00000000000000     1.0000000000   1.00000000

 Zn plus-pob-TZVP
 1
 4 0 2 1 1 1 1
  0.0798300500      1.00000000000000     1.0000000000   1.00000000

 Ga plus-pob-TZVP
 1
 4 0 2 1 1 1 1
  0.0765616700      1.00000000000000     1.0000000000   1.00000000

 Ge plus-pob-TZVP
 1
 4 0 1 1 1 1
  0.1107399300      1.00000000000000     1.0000000000

 As plus-pob-TZVP
 1
 4 0 0 1 1
  0.0979818600      1.00000000000000

 Se plus-pob-TZVP
 0
 4 0 0 0 0

 Br plus-pob-TZVP
 1
 4 0 0 1 1
  0.1158870400      1.00000000000000

#  pob-DZVP
# Elements                             References
# --------                             ----------
# H Li Be B C N O F Na Mg Al Si P S Cl K Ca Sc Ti V Cr Mn Fe Co Ni Cu Zn Ga Ge As Se Br         Peintinger, M. F., Oliveira, D. V. and Bredow, T. , Consistent gaussian basis sets of Triple-Zeta valence with polarization quality for solid-State Calculations. Priv. Commun.
#
# HYDROGEN
H  pob-DZVP
  3
  1  0  0  3  1
    24.62344998        0.01857031
    3.640664800        0.14010862
    0.773177290        0.55558583
  1  0  0  1  1
    0.196065500        1.00000000
  1  1  1  1  1
    0.184819860        1.00000000
# LITHIUM
Li  pob-DZVP
  4
  1  0  0  5  1
    266.277855160     0.006492015033
    40.0697834470     0.047747863215
    9.05599443890     0.202687961110
    2.45030090510     0.486065748170
    0.72209571855     0.436269779550
  1  0  0  1  1
    0.39888728000     1.000000000000
  1  0  0  1  1
    0.15000386000     1.000000000000
  1  1  1  1  1
    0.20621187000     1.000000000000
# BERYLLIUM
Be  pob-DZVP
  4
  1  0  0  5  1
    515.18616125     0.005561530798
    77.511037595     0.041190068062
    17.552481693     0.179133781080
    4.8028940596     0.447367164550
    1.4516214316     0.420095819200
  1  0  0  1  1
    0.3001210300     1.000000000000
  1  0  0  1  1
    0.1409622900     1.000000000000
  1  1  1  1  1
    0.6951546600     1.000000000000
# BORON
B  pob-DZVP
  6
  1  0  0  5  1
    839.31830086     -0.0055929201074
    126.26464843     -0.0415655207710
    28.620600763     -0.1829981698300
    7.8793722710     -0.4654039186600
    2.4088857172     -0.4417388479100
  1  0  0  1  1
    1.0283121300      1.0000000000000
  1  0  0  1  1
    0.2245461000      1.0000000000000
  1  1  1  3  1
    6.0332223619     -0.0356036724560
    1.2499157866     -0.1989577576900
    0.3387167635     -0.5085020261800
  1  1  1  1  1
    0.2288434900      1.0000000000000
  1  2  2  1  1
    0.5683718000      1.0000000000000
# CARBON
C  pob-DZVP
  6
  1  0  0  5  1
    1238.40169380       0.0054568832082
    186.290049920       0.0406384092110
    42.2511763460       0.1802559388800
    11.6765579320       0.4631512175500
    3.59305064820       0.4408717331400
  1  0  0  1  1
    0.46866670000       1.0000000000000
  1  0  0  1  1
    0.23547146000       1.0000000000000
  1  1  1  3  1
    9.46809706210       0.0383878717280
    2.01035451420       0.2111702511200
    0.54771004707       0.5132817211400
  1  1  1  1  1
    0.21046214000       1.0000000000000
  1  2  2  1  1
    0.52857792000       1.0000000000000
# NITROGEN
N  pob-DZVP
  6
  1  0  0  5  1
    1712.8415853     -0.0053934125305
    257.64812677     -0.0402215811180
    58.458245853     -0.1793114499000
    16.198367905     -0.4637631782300
    5.0052600809     -0.4417142266200
  1  0  0  1  1
    0.6348591000      1.0000000000000
  1  0  0  1  1
    0.2108223500      1.0000000000000
  1  1  1  3  1
    13.571470233     -0.0400723988520
    2.9257372874     -0.2180704502800
    0.7992775075     -0.5129446604900
  1  1  1  1  1
    0.2391884400      1.0000000000000
  1  2  2  1  1
    0.5119810200      1.0000000000000
# OXYGEN
O  pob-DZVP
  6
  1  0  0  5  1
    2266.1767785      -0.005343180993
    340.87010191      -0.039890039230
    77.363135167      -0.178539119850
    21.479644940      -0.464276849590
    6.6589433124      -0.443097451720
  1  0  0  1  1
    0.8478937000       1.000000000000
  1  0  0  1  1
    0.2790534900       1.000000000000
  1  1  1  3  1
    17.721504317       0.043394573193
    3.8635505440       0.230941207650
    1.0480920883       0.513753110640
  1  1  1  1  1
    0.2623818000       1.000000000000
  1  2  2  1  1
    0.4790426200       1.000000000000
# FLUORINE
F  pob-DZVP
  6
  1  0  0  5  1
    2894.8325990     -0.0053408255515
    435.41939120     -0.0399042588660
    98.843328866     -0.1791276803800
    27.485198001     -0.4675809082500
    8.5405498171     -0.4465313102000
  1  0  0  1  1
    1.1206217000      1.0000000000000
  1  0  0  1  1
    0.3778534100      1.0000000000000
  1  1  1  3  1
    22.696633924     -0.0452128744360
    4.9872339257     -0.2375431706700
    1.3491613954     -0.5128735358700
  1  1  1  1  1
    0.3184307600      1.0000000000000
  1  2  2  1  1
    1.2725609300      1.0000000000000
# SODIUM
Na  pob-DZVP
  7
  1  0  0  5  1
    4098.2003908     -0.0058535911879
    616.49374031     -0.0436471618720
    139.96644001     -0.1943146588400
    39.073441051     -0.4868506573100
    11.929847205     -0.4188170513700
  1  0  0  3  1
    20.659966030      0.0859496898540
    1.9838860978     -0.5635914404100
    0.6483632394     -0.5195400904800
  1  0  0  1  1
    0.2501479300      1.0000000000000
  1  0  0  1  1
    0.1200013100      1.0000000000000
  1  1  1  5  1
    75.401862017      0.0154353625320
    17.274818978      0.0997382931840
    5.1842347425      0.3120959396600
    1.6601211973      0.4929567480700
    0.5123252896      0.3242039831800
  1  1  1  1  1
    0.1500052600      1.0000000000000
  1  2  2  1  1
    0.2522706400      1.0000000000000
# MAGNESIUM
Mg  pob-DZVP
  7
  1  0  0  5  1
    4953.8339196     -0.0057778967498
    745.18044154     -0.0431247610820
    169.21604972     -0.1926821698700
    47.300672019     -0.4864143911600
    14.461336973     -0.4255089407700
  1  0  0  3  1
    24.768174789      0.0879569699840
    2.4940945349     -0.5516505812800
    0.8780758453     -0.5344329483300
  1  0  0  1  1
    0.3450688700      1.0000000000000
  1  0  0  1  1
    0.1500539900      1.0000000000000
  1  1  1  5  1
    98.053010494     -0.0144805646010
    22.586932277     -0.0954957507870
    6.8391509842     -0.3078767265100
    2.2332843818     -0.4993629288600
    0.7160659939     -0.3150347621300
  1  1  1  1  1
    0.2469232300      1.0000000000000
  1  2  2  1  1
    0.4148382900      1.0000000000000
# ALUMINUM
Al  pob-DZVP
  8
  1  0  0  5  1
    5887.5727030      0.0013483347987
    885.61225996      0.0100715768090
    201.13604899      0.0451324540560
    56.284974674      0.1146126804300
    17.229551243      0.1015960894300
  1  0  0  3  1
    29.340249922      0.0693474542080
    3.0439630420     -0.4252811767900
    1.1285539518     -0.4144983221000
  1  0  0  1  1
    0.7834298000      1.0000000000000
  1  0  0  1  1
    0.1440019200      1.0000000000000
  1  1  1  5  1
    145.11918809      0.0063963373134
    33.717894833      0.0441893599650
    10.369863083      0.1558157599300
    3.5135616036      0.2863528695100
    1.1980050273      0.2292142324800
  1  1  1  1  1
    0.3200672400      1.0000000000000
  1  1  1  1  1
    0.1500336200      1.0000000000000
  1  2  2  1  1
    0.1530089300      1.0000000000000
# SILICON
Si  pob-DZVP
  8
  1  0  0  5  1
    6903.7118686      0.0013373962995
    1038.4346419      0.0099966546241
    235.87581480      0.0449101651010
    66.069385169      0.1146363854000
    20.247945761      0.1028006385800
  1  0  0  3  1
    34.353481730      0.0708372850100
    3.6370788192     -0.4302883625200
    1.4002048599     -0.4138277496900
  1  0  0  1  1
    0.6071355100      1.0000000000000
  1  0  0  1  1
    0.1560972800      1.0000000000000
  1  1  1  5  1
    179.83907373      0.0061916656462
    41.907258846      0.0433994319820
    12.955294367      0.1563201935100
    4.4383267393      0.2941999698200
    1.5462247904      0.2353682381400
  1  1  1  1  1
    0.3738706200      1.0000000000000
  1  1  1  1  1
    0.1400744900      1.0000000000000
  1  2  2  1  1
    0.3500000000      1.0000000000000
# PHOSPHOROUS
P  pob-DZVP
  8
  1  0  0  5  1
    8002.4795106       0.0057503489302
    1203.6813590       0.0430076289590
    273.44227031       0.1936398625200
    76.655541517       0.4965169339900
    23.516927435       0.4498326247900
  1  0  0  3  1
    39.791683439       0.0951881297890
    4.2770343323      -0.5764984036800
    1.6940256888      -0.5423958386500
  1  0  0  1  1
    0.8995735800       1.0000000000000
  1  0  0  1  1
    0.2876874300       1.0000000000000
  1  1  1  5  1
    219.50755823       0.0092100565257
    51.274155030       0.0654097657450
    15.921595892       0.2403373027900
    5.5069913481       0.4631832178800
    1.9537719426       0.3739256338200
  1  1  1  1  1
    0.5526276500       1.0000000000000
  1  1  1  1  1
    0.1635434500       1.0000000000000
  1  2  2  1  1
    0.4500000000       1.0000000000000
# SULFUR
S  pob-DZVP
  8
  1  0  0  5  1
    9184.9303010      -0.0022294387756
    1381.5105503      -0.0166830299370
    313.87147580      -0.0752624361160
    88.053870623      -0.1937682703800
    27.039914905      -0.1771802080300
  1  0  0  3  1
    45.648731303      -0.1073606257300
    4.9664522326       0.6506629301800
    2.0116242047       0.5971215535400
  1  0  0  1  1
    0.3846557700       1.0000000000000
  1  0  0  1  1
    0.1485543300       1.0000000000000
  1  1  1  5  1
    261.98233439      -0.0092729929822
    61.306894736      -0.0665476692410
    19.103729887      -0.2482859590300
    6.6567720378      -0.4870384740200
    2.3959635161      -0.3933785031200
  1  1  1  1  1
    0.6742097700       1.0000000000000
  1  1  1  1  1
    0.1697373600       1.0000000000000
  1  2  2  1  1
    0.1500000000       1.0000000000000
# CHLORINE
Cl  pob-DZVP
  8
  1  0  0  5  1
    10449.827566      0.0019708362484
    1571.7365221      0.0147547279770
    357.12065523      0.0666791128750
    100.25185935      0.1722892408400
    30.812727554      0.1588378610000
  1  0  0  3  1
    51.923789434     -0.1000929890900
    5.7045760975      0.6084175275300
    2.3508376809      0.5435215335500
  1  0  0  1  1
    0.5111756700      1.0000000000000
  1  0  0  1  1
    0.1916276100      1.0000000000000
  1  1  1  5  1
    307.66790569     -0.0087801484118
    72.102015515     -0.0635633554710
    22.532680262     -0.2401642827600
    7.8991765444     -0.4779886655700
    2.8767268321     -0.3851585000500
  1  1  1  1  1
    1.1066398400      1.0000000000000
  1  1  1  1  1
    0.2588839100      1.0000000000000
  1  2  2  1  1
    0.6513145300      1.0000000000000
# POTASSIUM
K  pob-DZVP
  9
  1  0  0  6  1
    31478.746764       0.0039838653994
    4726.8876066       0.0305017597620
    1075.4345353       0.1507375262200
    303.39811023       0.5191293980100
    98.327112831       1.0366957005000
    33.636222177       0.7639896319900
  1  0  0  3  1
    65.639209962      -0.2824261710600
    7.3162592218       1.6914935860000
    2.8902580135       1.2965331953000
  1  0  0  3  1
    4.5459748965      -0.0076343555273
    0.7040412406       0.0256357189600
    0.28266888959       0.0166068592080
  1  0  0  1  1
    0.2905816400       1.0000000000000
  1  0  0  1  1
    0.1300423900       1.0000000000000
  1  1  1  5  1
    361.22492154       0.0209064798230
    84.670222166       0.1504364174000
    26.469088236       0.5544006107700
    9.2658077615       1.0409009991000
    3.3423388293       0.6782534119400
  1  1  1  3  1
    1.5100876104       0.7524819114600
    0.5656837516       1.3708585031000
    0.2081700850       0.6604763307900
  1  1  1  1  1
    0.1517370000       1.0000000000000
  1  2  2  1  1
    0.3966958300       1.0000000000000
# CALCIUM
Ca  pob-DZVP
  9
  1  0  0  6  1
    35138.713929      0.003948252074
    5276.4111348      0.030234243552
    1200.4692589      0.149520196810
    338.71810542      0.515973457130
    109.85385922      1.033951029600
    37.608880299      0.769379335260
  1  0  0  3  1
    73.107977555     -0.282685250110
    8.2407705688      1.679609214200
    3.2959812993      1.280376601600
  1  0  0  3  1
    5.23418009140    -0.007686860456
    0.84187220515     0.025382375978
    0.36510294029     0.016512171511
  1  0  0  1  1
    0.3207089200      1.000000000000
  1  0  0  1  1
    0.1400001600      1.000000000000
  1  1  1  5  1
    413.11313893      0.020327135354
    96.935786224      0.147302763620
    30.372154659      0.548871673220
    10.684776830      1.044065981800
    3.8821258350      0.686534906840
  1  1  1  3  1
    1.7993016295      0.754102468710
    0.6918905653      1.340929659900
    0.2636402410      0.563919894350
  1  1  1  1  1
    0.1400000000      1.000000000000
  1  2  2  1  1
    0.5251112100      1.000000000000
# SCANDIUM
Sc  pob-DZVP
  11
  1  0  0  6  1
    38956.081804      0.0039293205858
    5849.5733637      0.0300932212290
    1330.8813154      0.1489037095000
    375.55534165      0.5146428290600
    121.87261370      1.0337708070000
    41.760243729      0.7743685162700
  1  0  0  3  1
    81.060633953     -0.2831855231600
    9.2059823972      1.6770806984000
    3.7063215732      1.2594733678000
  1  0  0  3  1
    5.9888909988     -0.0077821367493
    0.9736343238      0.0254996927450
    0.4204101922      0.0161915608200
  1  0  0  1  1
    0.4103497400      1.0000000000000
  1  0  0  1  1
    0.1400237900      1.0000000000000
  1  1  1  5  1
    466.31481262      0.0199843003900
    109.51217097      0.1456104307200
    34.375921827      0.5468746622300
    12.142096955      1.0479006012000
    4.4336767669      0.6889489032700
  1  1  1  3  1
    2.0971291866      0.7561921472400
    0.8097760696      1.3178212235000
    0.3083404659      0.5431226817300
  1  1  1  1  1
    0.2103537500      1.0000000000000
  1  2  2  4  1
    19.240334928      0.0270390821440
    5.1178995899      0.1380368474300
    1.6554278827      0.3486908640300
    0.5401635561      0.4859418571700
  1  2  2  1  1
    0.1611818500      1.0000000000000
  1  3  3  1  1
    0.3450000000      1.0000000000000
# TITANIUM
Ti  pob-DZVP
  11
  1  0  0  6  1
    42961.5121850       0.0039127635355
    6450.97591690       0.0299698204890
    1467.72109150       0.1483635270700
    414.209973550       0.5134728532400
    134.487158400       1.0335365483000
    46.1222097960       0.7785423393000
  1  0  0  3  1
    89.4477625430      -0.2838540125900
    10.2233460600       1.6772785333000
    4.13537742710       1.2411928456000
  1  0  0  3  1
    6.78961814520      -0.0078399994518
    1.11067306910       0.0254954930190
    0.47565975578       0.0160611728920
  1  0  0  1  1
    0.31748035000       1.0000000000000
  1  0  0  1  1
    0.15000110000       1.0000000000000
  1  1  1  5  1
    522.036847820       0.0197541796420
    122.686494890       0.1446067761900
    38.5729036110       0.5466900416500
    13.6721693190       1.0531647540000
    5.01185293590       0.6911121336300
  1  1  1  3  1
    2.41319282820       0.7580343713600
    0.93252270050       1.3036241399000
    0.35429058390       0.5363865330000
  1  1  1  1  1
    0.25003159000       1.0000000000000
  1  2  2  4  1
    23.4651259570       0.0265363801150
    6.33325938320       0.1379645396300
    2.07664899460       0.3531264422800
    0.69027361954       0.4864712416600
  1  2  2  1  1
    0.18915399000       1.0000000000000
  1  3  3  1  1
    0.56200000000       1.0000000000000
# VANADIUM
V  pob-DZVP
  11
  1  0  0  6  1
    47160.376060      0.0014498688908
    7081.4110871      0.0111064352510
    1611.1621223      0.0550054235850
    454.72940551      0.1906025259100
    147.71321208      0.3843502295700
    50.699538950      0.2909554679200
  1  0  0  3  1
    98.262492669     -0.1094233785600
    11.294293099      0.6453949039900
    4.5853360105      0.4711788077700
  1  0  0  3  1
    7.6359689588     -0.2045494905400
    1.2539836689      0.5259485276400
    0.5327193539      0.2556058274800
  1  0  0  1  1
    0.4384774900      1.0000000000000
  1  0  0  1  1
    0.1969337700      1.0000000000000
  1  1  1  5  1
    580.55044988      0.0097315110917
    136.52341127      0.0715312411370
    42.983958820      0.2719768841400
    15.282798763      0.5261898889300
    5.6202495154      0.3445253349800
  1  1  1  3  1
    2.7485386415      0.3404039649600
    1.0618550073      0.5798399612000
    0.4023551865      0.2391164308300
  1  1  1  1  1
    0.2914552600      1.0000000000000
  1  2  2  4  1
    27.358434017      0.0266419270500
    7.4540604253      0.1399531172600
    2.4633917847      0.3575106663900
    0.8248092528      0.4848835414800
  1  2  2  1  1
    0.1669591800      1.0000000000000
  1  3  3  1  1
    0.5310000000      1.0000000000000
# CHROMIUM
Cr  pob-DZVP
  11
  1  0  0  6  1
    51528.0863490      0.0014405823106
    7737.21034870      0.0110362022870
    1760.37484700      0.0546766518060
    496.877065440      0.1896503810300
    161.465205980      0.3829541285000
    55.4663522680      0.2909005066800
  1  0  0  3  1
    107.547329990     -0.1093228110000
    12.4086718970      0.6447259947100
    5.04236288260      0.4626271256000
  1  0  0  3  1
    8.54616401650     -0.2271101328600
    1.39004412210      0.7330152759100
    0.56066602876      0.4422556543300
  1  0  0  1  1
    0.48497949000      1.0000000000000
  1  0  0  1  1
    0.14539019000      1.0000000000000
  1  1  1  5  1
    640.485360960      0.0096126715203
    150.697111940      0.0708898346550
    47.5037552960      0.2706525899000
    16.9341201650      0.5243734341400
    6.24096805900      0.3410799471400
  1  1  1  3  1
    3.08854632060      0.3397398690300
    1.17910477690      0.5727206292700
    0.43369774432      0.2458272820600
  1  1  1  1  1
    0.33254991000      1.0000000000000
  1  2  2  4  1
    27.5594794260      0.0306124880440
    7.46870203270      0.1559327094400
    2.43459035740      0.3698442127600
    0.78244754808      0.4707111807700
  1  2  2  1  1
    0.21679761000      1.0000000000000
  1  3  3  1  1
    1.14700000000      1.0000000000000
# MANGANESE
Mn  pob-DZVP
  11
  1  0  0  6  1
    56137.0090370      0.0014321304702
    8429.20639430      0.0109725091620
    1917.82772330      0.0543824687120
    541.362301980      0.1888433512900
    176.000691420      0.3819802505400
    60.5004770100      0.2915677259600
  1  0  0  3  1
    117.172828820     -0.1093366132800
    13.5969733680      0.6430503943100
    5.54839963410      0.4584897058400
  1  0  0  3  1
    9.46628535300     -0.2253897725900
    1.55950060700      0.7230775865700
    0.65230205868      0.4530072153600
  1  0  0  1  1
    0.32978445000      1.0000000000000
  1  0  0  1  1
    0.14042718000      1.0000000000000
  1  1  1  5  1
    706.004975350      0.0095055518167
    166.197288200      0.0703562711420
    52.4520619060      0.2700555698200
    18.7469328620      0.5257434460200
    6.92829916220      0.3425403322300
  1  1  1  3  1
    3.47722049380      0.3399407373600
    1.34069064490      0.5720383625400
    0.50498803038      0.2384760583100
  1  1  1  1  1
    0.21289599000      1.0000000000000
  1  2  2  4  1
    35.4232649350      0.0269853041110
    9.78142214510      0.1438345864800
    3.26734887670      0.3641895837700
    1.10264721890      0.4815267066100
  1  2  2  1  1
    0.32317618000      1.0000000000000
  1  3  3  1  1
    1.12600000000      1.0000000000000
# IRON
Fe  pob-DZVP
  11
  1  0  0  6  1
    60923.640643       0.0014302254466
    9147.8893982       0.0109587900380
    2081.3505927       0.0543325542480
    587.55977067       0.1888499500900
    191.09043990       0.3825306994600
    65.732730112       0.2930833598400
  1  0  0  3  1
    127.25891928      -0.1096456492500
    14.830913010       0.6438763133200
    6.0653307408       0.4547234732300
  1  0  0  3  1
    10.449943710      -0.2253963995200
    1.7245228003       0.7216439815600
    0.7177217733       0.4498549292200
  1  0  0  1  1
    0.5185142600       1.0000000000000
  1  0  0  1  1
    0.1411818500       1.0000000000000
  1  1  1  5  1
    773.43750995       0.0094325735144
    182.15149714       0.0700296205750
    57.547272758       0.2699365199600
    20.614988935       0.5270001104700
    7.6348557890       0.3428414802800
  1  1  1  3  1
    3.8719327990       0.3397440298800
    1.4924724132       0.5684259400500
    0.5606128496       0.2364936583900
  1  1  1  1  1
    0.4057599100       1.0000000000000
  1  2  2  4  1
    38.968133419       0.0278796643820
    10.800067078       0.1485831998200
    3.6136457999       0.3690547949600
    1.2129967888       0.4774510088300
  1  2  2  1  1
    0.3292804600       1.0000000000000
  1  3  3  1  1
    1.5980000000       1.0000000000000
# COBALT
Co  pob-DZVP
  11
  1  0  0  6  1
    65902.208257      0.0014284614936
    9895.3896027      0.0109460727830
    2251.4305789      0.0542859538900
    635.61097084      0.1888517907900
    206.78820681      0.3830163499400
    71.179242971      0.2944355126600
  1  0  0  3  1
    137.77268040     -0.1099022173600
    16.118079243      0.6445553739500
    6.6030327710      0.4511678792400
  1  0  0  3  1
    11.479915788     -0.2259384691000
    1.8956426324      0.7223140900800
    0.7846623207      0.4490381229600
  1  0  0  1  1
    0.4348075800      1.0000000000000
  1  0  0  1  1
    0.2101019300      1.0000000000000
  1  1  1  5  1
    843.64358575      0.0093866097254
    198.76386994      0.0698802087160
    62.854963098      0.2703707034500
    22.562842280      0.5290478688000
    8.3713209127      0.3435702957900
  1  1  1  3  1
    4.2858719800      0.3402799903600
    1.6508041817      0.5669339238400
    0.6183423110      0.2361797978300
  1  1  1  1  1
    0.1630982500      1.0000000000000
  1  2  2  4  1
    42.927867612      0.0284877883650
    11.942533053      0.1520695128300
    4.0046495664      0.3731091399900
    1.3413193804      0.4754983767600
  1  2  2  1  1
    0.2886814600      1.0000000000000
  1  3  3  1  1
    1.9030000000      1.0000000000000
# NICKEL
Ni  pob-DZVP
  11
  1  0  0  6  1
    71074.803211      0.001426038673
    10672.020941      0.010928236994
    2428.1389007      0.054212626938
    685.53595148      0.188747689020
    223.10072863      0.383246169850
    76.842014042      0.295506371440
  1  0  0  3  1
    148.71122016     -0.110144430590
    17.459154987      0.645214269880
    7.1625280665      0.447978381030
  1  0  0  3  1
    12.556137125     -0.226454032240
    2.0735740488      0.723209592860
    0.8538264060      0.448680264760
  1  0  0  1  1
    0.4174245700      1.000000000000
  1  0  0  1  1
    0.1404726200      1.000000000000
  1  1  1  5  1
    916.73608662      0.009343963561
    216.06139913      0.069737374902
    68.383914817      0.270734950120
    24.593843952      0.530783015490
    9.1392960204      0.344102294380
  1  1  1  3  1
    4.7193371746      0.340760820160
    1.8161849234      0.565801696110
    0.6784075072      0.236167173610
  1  1  1  1  1
    0.4119464100      1.000000000000
  1  2  2  4  1
    47.093832108      0.028982316948
    13.146463975      0.154949959500
    4.4170548925      0.376331151110
    1.4771565078      0.473650960140
  1  2  2  1  1
    0.4238000700      1.000000000000
  1  3  3  1  1
    2.1740000000      1.000000000000
# COPPER
Cu  pob-DZVP
  11
  1  0  0  6  1
    76381.348056      0.0014336079896
    11468.777499      0.0109867498650
    2609.4246495      0.0545136524650
    736.75033098      0.1899012825800
    239.82419958      0.3858195921100
    82.656829252      0.2979060749800
  1  0  0  3  1
    160.13544196     -0.1114677856700
    18.834177695      0.6534930103100
    7.7176595741      0.4477053442100
  1  0  0  3  1
    13.710846717     -0.2287091112200
    2.2349895670      0.7346442303100
    0.8781836006      0.4327307087400
  1  0  0  1  1
    0.7389003700      1.0000000000000
  1  0  0  1  1
    0.1720064700      1.0000000000000
  1  1  1  5  1
    991.24075782      0.0093878498798
    233.69376116      0.0702082824580
    74.020930927      0.2732352222000
    26.664967447      0.5358079272800
    9.9192087478      0.3457579490600
  1  1  1  3  1
    5.1519553926      0.3422910808300
    1.9638205828      0.5645659248400
    0.7156009704      0.2407858431800
  1  1  1  1  1
    0.3579068100      1.0000000000000
  1  2  2  4  1
    47.335049590      0.0323755477580
    13.161666077      0.1681021868400
    4.3693777244      0.3847770798200
    1.4132925109      0.4614788017800
  1  2  2  1  1
    0.3231420000      1.0000000000000
  1  3  3  1  1
    2.2330000000      1.0000000000000
# ZINC
Zn  pob-DZVP
  11
  1  0  0  6  1
    82000.711629      0.001421076400
    12312.471777      0.010891499487
    2801.3944193      0.054057188059
    790.99424302      0.188474639040
    257.56551079      0.383465493460
    88.814933400      0.297237941970
  1  0  0  3  1
    171.86353716     -0.110518495230
    20.302534785      0.646077169840
    8.3464123068      0.442201173220
  1  0  0  3  1
    14.847536940     -0.227053092780
    2.4495029507      0.724332179350
    0.9984582182      0.448364955920
  1  0  0  1  1
    0.4816363300      1.000000000000
  1  0  0  1  1
    0.1957354600      1.000000000000
  1  1  1  5  1
    1071.5185372      0.009276779724
    252.69712152      0.069541149430
    80.100829126      0.271567725640
    28.903393172      0.534013555730
    10.768899879      0.345013234460
  1  1  1  3  1
    5.6446212530      0.341296001640
    2.1678291347      0.563905219730
    0.8054089834      0.236761097350
  1  1  1  1  1
    0.2717229500      1.000000000000
  1  2  2  4  1
    56.088939191      0.029588869140
    15.751908917      0.158725714040
    5.3115812367      0.379762291590
    1.7737904917      0.468989591720
  1  2  2  1  1
    0.5008942200      1.000000000000
  1  3  3  1  1
    2.6140000000      1.000000000000
# GALLIUM
Ga  pob-DZVP
  12
  1  0  0  6  1
    87842.126296      0.0014271588798
    13189.496402      0.0109388940970
    3000.9482141      0.0543082001270
    847.38425966      0.1895105598300
    276.00980642      0.3861518591800
    95.216672071      0.3005108271900
  1  0  0  3  1
    184.00703968     -0.1112446196300
    21.827051433      0.6483132291800
    9.0026963761      0.4435838359400
  1  0  0  3  1
    16.033176938     -0.2301429955500
    2.6707724878      0.7294686151600
    1.1252834170      0.4621497695100
  1  0  0  1  1
    0.9338577400      1.0000000000000
  1  0  0  1  1
    0.1574498300      1.0000000000000
  1  1  1  5  1
    1167.2665844      0.0090974021307
    275.38062789      0.0684562733430
    87.375073070      0.2692229388800
    31.597254670      0.5350789788200
    11.824122798      0.3527906276000
  1  1  1  3  1
    6.2881845133      0.3393824453000
    2.5199853240      0.5687194760800
    1.0169726306      0.2771769493900
  1  1  1  1  1
    0.3650037800      1.0000000000000
  1  1  1  1  1
    0.1507841800      1.0000000000000
  1  2  2  4  1
    65.354237674      0.0273701463820
    18.504656747      0.1509946397600
    6.3179620632      0.3748532854500
    2.1641389426      0.4751060685100
  1  2  2  1  1
    0.6662863400      1.0000000000000
  1  2  2  1  1
    0.1526260800      1.0000000000000
# GERMANIUM
Ge  pob-DZVP
  12
  1  0  0  6  1
    93889.836642      0.0014233976060
    14097.497528      0.0109107956540
    3207.5477309      0.0541837059430
    905.76727269      0.1892282034900
    295.11014693      0.3861284700100
    101.84713141      0.3016405073600
  1  0  0  3  1
    196.56719662     -0.1111877094000
    23.405292522      0.6461600736900
    9.6839116702      0.4418890456800
  1  0  0  3  1
    17.269736544     -0.2302742137500
    2.8964622160      0.7301716939800
    1.2553621412      0.4619722225500
  1  0  0  1  1
    1.1396354400      1.0000000000000
  1  0  0  1  1
    0.2182833100      1.0000000000000
  1  1  1  5  1
    1259.2085995      0.0090115464252
    297.15626382      0.0679868416890
    94.353387522      0.2685385648800
    34.176329677      0.5365964921900
    12.816139615      0.3563351496100
  1  1  1  3  1
    6.8471029784      0.3390069311900
    2.7717363939      0.5680936526400
    1.1458418175      0.2724653988400
  1  1  1  1  1
    0.3917114300      1.0000000000000
  1  1  1  1  1
    0.1400040000      1.0000000000000
  1  2  2  4  1
    74.782168177      0.0257558602050
    21.310849759      0.1453681613200
    7.3464792363      0.3713420985900
    2.5656271395      0.4800299843600
  1  2  2  1  1
    0.9421431900      1.0000000000000
  1  2  2  1  1
    0.2637066200      1.0000000000000
# ARSENIC
As  pob-DZVP
  12
  1  0  0  6  1
    100146.52554      0.0014258349617
    15036.861711      0.0109301769630
    3421.2902833      0.0542941746100
    966.16965717      0.1897607815300
    314.87394026      0.3877519545300
    108.70823790      0.3040281204000
  1  0  0  3  1
    209.54238950     -0.1116209420400
    25.038221139      0.6469760776200
    10.390964343      0.4422360867300
  1  0  0  3  1
    18.555090093     -0.2299419056900
    3.1281217449      0.7331910761300
    1.3884885073      0.4553365394300
  1  0  0  1  1
    0.4181824500      1.0000000000000
  1  0  0  1  1
    0.1550131000      1.0000000000000
  1  1  1  5  1
    1355.6443507      0.0089182507898
    319.99929270      0.0674547507170
    101.67734092      0.2675977211000
    36.886323845      0.5377684452000
    13.861115909      0.3599257024400
  1  1  1  3  1
    7.4260666912      0.3403684963700
    3.0316247187      0.5703014933400
    1.2783078340      0.2660617023800
  1  1  1  1  1
    0.5541281300      1.0000000000000
  1  1  1  1  1
    0.1782049800      1.0000000000000
  1  2  2  4  1
    84.445514539      0.0245184027240
    24.190416102      0.1410745467700
    8.4045015119      0.3687522891500
    2.9808970748      0.4840956136200
  1  2  2  1  1
    0.9609040000      1.0000000000000
  1  2  2  1  1
    0.1643010400      1.0000000000000
# SELENIUM
Se  pob-DZVP
  12
  1  0  0  6  1
    106612.20027      0.0014274889113
    16007.604701      0.0109435251140
    3642.1699707      0.0543741715960
    1028.5912993      0.1901809294700
    335.30298888      0.3891302169600
    115.80129154      0.3062020708800
  1  0  0  3  1
    222.93325020     -0.1119880800900
    26.726257934      0.6475212420700
    11.124501923      0.4424197665100
  1  0  0  3  1
    19.888520061     -0.2285722776200
    3.3668473803      0.7359135995100
    1.5249277839      0.4433019957700
  1  0  0  1  1
    0.5304965700      1.0000000000000
  1  0  0  1  1
    0.2012996100      1.0000000000000
  1  1  1  5  1
    1455.9068120      0.0088203597043
    343.75101831      0.0668758519670
    109.29554964      0.2664057808000
    39.707711022      0.5383492842200
    14.950185232      0.3630328199300
  1  1  1  3  1
    8.0208962094      0.3415380702500
    3.2934649756      0.5725790658300
    1.4058602438      0.2554981322200
  1  1  1  1  1
    0.5015097700      1.0000000000000
  1  1  1  1  1
    0.1509689200      1.0000000000000
  1  2  2  4  1
    94.494024044      0.0234901010980
    27.188185260      0.1374773576700
    9.5091567352      0.3664992912400
    3.4170516853      0.4875098988400
  1  2  2  1  1
    1.0106184400      1.0000000000000
  1  2  2  1  1
    0.1503429700      1.0000000000000
# BROMINE
Br  pob-DZVP
  12
  1  0  0  6  1
    113286.38776      0.0014283037779
    17009.626303      0.0109504174960
    3870.1842567      0.0544210066040
    1093.0357227      0.1904790769500
    356.39721797      0.3902464273700
    123.12539643      0.3081443251400
  1  0  0  3  1
    236.74084007     -0.1122806567100
    28.468661070      0.6477596231200
    11.883443722      0.4423557598600
  1  0  0  3  1
    21.269633312     -0.2264257632300
    3.6129226841      0.7382371200800
    1.6626648969      0.4268386869400
  1  0  0  1  1
    0.5091510600      1.0000000000000
  1  0  0  1  1
    0.2448482800      1.0000000000000
  1  1  1  5  1
    1560.2801881      0.0087166669072
    368.47859205      0.0662436374200
    117.22978849      0.2649561038500
    42.648909248      0.5383916058700
    16.087225096      0.3657938788800
  1  1  1  3  1
    8.6352810058      0.3424878736600
    3.5613665502      0.5750067821300
    1.5292626609      0.2433039417200
  1  1  1  1  1
    0.5560447400      1.0000000000000
  1  1  1  1  1
    0.1564046700      1.0000000000000
  1  2  2  4  1
    104.85518642      0.0226501475810
    30.281143688      0.1345548323000
    10.651394267      0.3647445453700
    3.8699456233      0.4904458705600
  1  2  2  1  1
    1.2561204000      1.0000000000000
  1  2  2  1  1
    0.2125147300      1.0000000000000

#  pob-TZVPP
# Elements                             References
# --------                             ----------
# H Li Be O F Na Si S Cl K Ca         Peintinger, M. F., Oliveira, D. V. and Bredow, T. , Consistent gaussian basis sets of Triple-Zeta valence with polarization quality for solid-State Calculations. J. Comput. Chem. (2013), 34, 451-459. DOI: 10.1002/jcc.23153
#
# HYDROGEN
H  pob-TZVPP
  5
  1  0  0  3  1
34.061341000 0.00602519780
5.1235746000 0.04502109400
1.1646626000 0.20189726000
  1  0  0  1  1
0.4157455100 1.00000000000
  1  0  0  1  1
0.1695111000 1.00000000000
  1  1  1  1  1
1.7000000000 1.00000000000
  1  1  1  1  1
0.8000000000 1.00000000000
# LITHIUM
Li  pob-TZVPP
  6
  1  0  0  6  1
6269.2628010 0.00020540968826
940.31612431 0.0015916554089
214.22107528 0.0082869829707
60.759840184 0.033856374249
19.915152032 0.11103225876
7.3171509797 0.27449383329
  1  0  0  2  1
2.9724674216 0.23792456411
1.2639852314 0.30765411924
  1  0  0  1  1
0.5398482200 1.0000000000
  1  0  0  1  1
0.1290374500 1.0000000000
  1  0  0  1  1
0.2594612100 1.0000000000
  1  0  0  1  1
0.1264021300 1.0000000000
# BERYLLIUM
Be  pob-TZVPP
  6
  1  0  0  6  1
4700.2365626 0.00023584389316
704.82845622 0.00182437910190
160.43110478 0.00939661482240
45.425347336 0.03690892415900
14.798334125 0.10897561281000
5.3512452537 0.21694284551000
  1  0  0  2  1
2.1542044819 0.44695408857000
0.9336374440 0.20866985771000
  1  0  0  1  1
0.24174508 1.00000000000000
  1  0  0  1  1
0.12111452 1.00000000000000
  1  1  1  1  1
0.99262157 1.00000000000000
  1  1  1  1  1
0.49000000 1.00000000000000
# OXYGEN
O  pob-TZVPP
  9
  1  0  0  6  1
27032.382631 0.00021726302465
4052.3871392 0.00168386621990
922.32722710 0.00873956162650
261.24070989 0.03523996880800
85.354641351 0.11153519115000
31.035035245 0.25588953961000
  1  0  0  2  1
12.260860728 0.39768730901000
4.9987076005 0.24627849430000
  1  0  0  1  1
1.0987136000 1.00000000000000
  1  0  0  1  1
0.3565870100 1.00000000000000
  1  1  1  4  1
63.274954801 0.0060685103418
14.627049379 0.0419125758240
4.4501223456 0.1615384108800
1.5275799647 0.3570695131100
  1  1  1  1  1
0.5489735000 1.0000000000000
  1  1  1  1  1
0.1858671100 1.0000000000000
  1  2  2  1  1
0.7432529700 1.0000000000000
  1  2  2  1  1
0.2579985600 1.0000000000000
# FLUORINE
F  pob-TZVPP
  9
  1  0  0  6  1
35479.100441 0.00021545014888
5318.4728983 0.0016700686527
1210.4810975 0.0086733211476
342.85518140 0.035049933175
112.01943181 0.11165320133
40.714740248 0.25988506647
  1  0  0  2  1
16.039678111 0.39422966880
6.5038186740 0.24998238551
  1  0  0  1  1
1.44200749 1.0000000000
  1  0  0  1  1
0.45977258 1.0000000000
  1  1  1  4  1
80.233900483 0.0063685999134
18.594010743 0.044303143530
5.6867902653 0.16867248708
1.9511006294 0.36166346255
  1  0  0  1  1
0.63228452 1.0000000000
  1  0  0  1  1
0.19835532 1.0000000000
  1  2  2  1  1
0.59186103 1.0000000000
  1  2  2  1  1
0.27618695 1.0000000000
# SODIUM
Na  pob-TZVPP
  10
  1  0  0  7  1
26041.1099270 0.00061806342811
3906.12685480 0.00477486044140
888.974549930 0.02447168482900
251.454979610 0.09475539497700
81.6501435120 0.26867496920000
28.9041584010 0.47925475440000
10.6257829320 0.33248591469000
  1  0  0  3  1
53.7694101790 0.01952773187200
16.3082430250 0.09264801079400
2.37303841250 -0.39938670172000
  1  0  0  2  1
0.95730772603 1.64285953910000
0.40806460959 0.55692596966000
  1  0  0  1  1
0.67460191000 1.00000000000000
  1  0  0  1  1
0.10055549000 1.00000000000000
  1  1  1  5  1
138.079799890 0.00579518919290
32.2327003930 0.04162084625100
9.98160753600 0.16281916885000
3.48220339280 0.36011784647000
1.22991346200 0.44858979889000
  1  1  1  1  1
0.40094322000 1.00000000000000
  1  1  1  1  1
0.10067345000 1.00000000000000
  1  2  2  1  1
1.04630000 1.00000000000000
  1  2  2  1  1
0.27106937 1.00000000000000
# SILICON
Si  pob-TZVPP
  11
  1  0  0  7  1
44773.358078 0.00055914765868
6717.1992104 0.00432060401890
1528.8960325 0.02218709646000
432.54746585 0.08648924911600
140.61505226 0.24939889716000
49.857636724 0.46017197366000
18.434974885 0.34250236575000
  1  0  0  3  1
86.533886111 0.02130006300700
26.624606846 0.09467613931800
4.4953057159 -0.32616264859000
  1  0  0  2  1
2.1035045710 1.39808038500000
1.0106094922 0.63865786699000
  1  0  0  1  1
0.7422443800 1.00000000000000
  1  0  0  1  1
0.2160762500 1.00000000000000
  1  1  1  5  1
394.47503628 0.00262856939590
93.137683104 0.02055625774900
29.519608742 0.09207026280100
10.781663791 0.25565889739000
4.1626574778 0.42111707185000
  1  1  1  1  1
1.4499318500 1.00000000000000
  1  1  1  1  1
0.5949286700 1.00000000000000
  1  1  1  1  1
0.1146786100 1.00000000000000
  1  2  2  1  1
1.2075226400 1.00000000000000
  1  2  2  1  1
0.4220920700 1.00000000000000
# SULFUR
S  pob-TZVPP
  11
  1  0  0  7  1
60700.928104 0.00054695944225
9102.6106854 0.00422972245570
2071.4166009 0.02174782415900
586.02476821 0.08510005358900
190.55395021 0.24799128459000
67.630384260 0.46703640406000
25.127306905 0.36434587550000
  1  0  0  3  1
112.57463010 0.02167004024000
34.795554217 0.09360230176000
6.5115556215 -0.26068001422000
  1  0  0  2  1
3.2399032261 1.28420894350000
1.5477160881 0.66036416584000
  1  0  0  1  1
0.2887335200 1.00000000000000
  1  0  0  1  1
0.1153457200 1.00000000000000
  1  1  1  5  1
564.36716027 0.00247967963170
133.42624379 0.01967793025000
42.468271189 0.08998000825800
15.616527580 0.25705880575000
6.1093988469 0.43515167292000
  1  1  1  1  1
2.0359436000 1.00000000000000
  1  1  1  1  1
0.3337928300 1.00000000000000
  1  1  1  1  1
0.1155009100 1.00000000000000
  1  2  2  1  1
0.3015500400 1.00000000000000
  1  2  2  1  1
0.1001172000 1.00000000000000
# CHLORINE
Cl  pob-TZVPP
  11
  1  0  0  7  1
69507.990945 0.00054314897497
10426.156880 0.00419904639610
2373.2334061 0.02159214167900
671.56420071 0.08459885009400
218.41999790 0.24757249724000
77.572249714 0.47016930228000
28.888815277 0.37436370716000
  1  0  0  3  1
127.10527185 0.02518216660300
39.339582961 0.10786112456000
7.6740679989 -0.27408821574000
  1  0  0  2  1
3.8745627630 1.32138750140000
1.8385832573 0.68636955368000
  1  0  0  1  1
0.4498594500 1.00000000000000
  1  0  0  1  1
0.1363703100 1.00000000000000
  1  1  1  5  1
666.50423284 0.00236326638360
157.64241690 0.01887930037400
50.262520978 0.08720634127300
18.536078105 0.25285612970000
7.2940532777 0.43507154820000
  1  1  1  1  1
2.80149164000 1.00000000000000
  1  1  1  1  1
0.73964278000 1.00000000000000
  1  1  1  1  1
0.21056105000 1.00000000000000
  1  2  2  1  1
0.12426674 1.00000000000000
  1  2  2  1  1
0.23728440 1.00000000000000
# POTASSIUM
K  pob-TZVPP
  12
  1  0  0  8  1
153976.183250 0.00023662636107
23082.4976720 0.00183429291370
5253.23447450 0.00953105277690
1486.95501330 0.03863840698000
484.063337260 0.12480768502000
173.566539800 0.29278861009000
67.1163814640 0.40633425860000
26.3395020540 0.20077215860000
  1  0  0  4  1
172.876935670 -0.02420096093600
53.0586490630 -0.11553095040000
7.92127539640 0.57455545175000
3.21088804720 0.57023185107000
  1  0  0  2  1
4.56620708950 -0.22615763466000
0.70209907282 0.75528392045000
  1  0  0  1  1
0.91009660000 1.00000000000000
  1  0  0  1  1
0.31839021000 1.00000000000000
  1  0  0  1  1
0.10000178000 1.00000000000000
  1  1  1  6  1
728.184498730 0.00261506897920
172.132650610 0.02067363083500
54.8298470750 0.09320560387000
20.1662664940 0.25436518210000
7.86107288060 0.39131132810000
3.11052131320 0.22481345943000
  1  1  1  3  1
11.7573374920 -0.02577728921700
1.51396174110 0.57359428604000
0.58328591795 1.07983200020000
  1  1  1  1  1
0.31652437000 1.00000000000000
  1  1  1  1  1
0.12001438000 1.00000000000000
  1  2  2  1  1
0.40773481000 1.00000000000000
  1  2  2  1  1
0.12000023000 1.00000000000000
# CALCIUM
Ca  pob-TZVPP
  12
  1  0  0  8  1
172517.32685 0.23317502546E-03
25861.519275 0.18076521980E-02
5885.6618668 0.93943844255E-02
1665.9730031 0.38108409009E-01
542.36718148 0.12331203853
194.57803492 0.29004470954
75.303597636 0.40587151157
29.574062589 0.20398410743
  1  0  0  4  1
191.20074660 -0.24419759759E-01
58.840299883 -0.11547027448
8.9642540845 0.56356636717
3.6856960541 0.56709682704
  1  0  0  2  1
5.2464289726 -0.22825334325
0.84862621528 0.72625219172
  1  0  0  1  1
1.30710626 1.0000000000
  1  0  0  1  1
0.38027232 1.0000000000
  1  0  0  1  1
0.16014616 1.0000000000
  1  1  1  6  1
836.97262058 0.25258346092E-02
197.93040142 0.20076506686E-01
63.135558054 0.91302987366E-01
23.282687170 0.25247029915
9.1176444932 0.39426326344
3.6336120139 0.23011559492
  1  1  1  3  1
13.494163120 -0.26495021951E-01
1.8139259790 0.55088108210
0.71981826006 1.0280616620
  1  0  0  1  1
0.36108303 1.0000000000
  1  0  0  1  1
0.16029529 1.0000000000
  1  2  2  1  1
1.57726125 1.0000000000
  1  2  2  1  1
0.37537169 1.0000000000

#  pob-DZVP-rev2
# Elements                             References
# --------                             ----------
# H-Br:  Vilela Oliveira, D., Laun, J., Peintinger, M. F., Bredow, T.,
#        J. Comput. Chem. (2019), 40, 2364-2376. https://doi.org/10.1002/jcc.26013
H  pob-DZVP-rev2
  3
  1  0  0  3  1
       24.62344998  0.01857031
        3.640664800 0.14010862
        0.773177290 0.55558583
  1  0  0  1  1
        0.196065500 1.00000000
  2  1  1  1  1
        0.184819860 1.00000000
#
Li pob-DZVP-rev2
  4
  1  0  0  5  1
      266.277855160    0.006492015033
       40.0697834470   0.047747863215
        9.05599443890  0.202687961110
        2.45030090510  0.486065748170
        0.72209571855  0.436269779550
  2  0  0  1  1
        0.39888728000  1.000000000000
  2  0  0  1  1
        0.15000386000  1.000000000000
  2  1  1  1  1
        0.20621187000  1.000000000000
#
Be pob-DZVP-rev2
  4
  1  0  0  5  1
      515.18616125     0.005561530798
       77.511037595    0.041190068062
       17.552481693    0.179133781080
        4.8028940596   0.447367164550
        1.4516214316   0.420095819200
  1  0  0  1  1
        0.3001210300   1.000000000000
  2  0  0  1  1
        0.1409622900   1.000000000000
  2  1  1  1  1
        0.6951546600   1.000000000000
#
B  pob-DZVP-rev2
  6
  1  0  0  5  1
      839.31830086      -0.0055929201074
      126.26464843      -0.0415655207710
       28.620600763     -0.1829981698300
        7.8793722710    -0.4654039186600
        2.4088857172    -0.4417388479100
  2  0  0  1  1
        1.0283121300     1.0000000000000
  2  0  0  1  1
        0.2245461000     1.0000000000000
  2  1  1  3  1
        6.0332223619    -0.0356036724560
        1.2499157866    -0.1989577576900
        0.3387167635    -0.5085020261800
  2  1  1  1  1
        0.2288434900     1.0000000000000
  3  2  2  1  1
        0.5683718000     1.0000000000000
#
C  pob-DZVP-rev2
  6
  1  0  0  5  1
     1238.40169380      0.0054568832082
      186.290049920     0.0406384092110
       42.2511763460    0.1802559388800
       11.6765579320    0.4631512175500
        3.59305064820   0.4408717331400
  2  0  0  1  1
        0.46866670000   1.0000000000000
  2  0  0  1  1
        0.23547146000   1.0000000000000
  2  1  1  3  1
        9.46809706210   0.0383878717280
        2.01035451420   0.2111702511200
        0.54771004707   0.5132817211400
  2  1  1  1  1
        0.21046214000   1.0000000000000
  3  2  2  1  1
        0.52857792000   1.0000000000000
#
N  pob-DZVP-rev2
  6
  1  0  0  5  1
     1712.8415853       -0.0053934125305
      257.64812677      -0.0402215811180
       58.458245853     -0.1793114499000
       16.198367905     -0.4637631782300
        5.0052600809    -0.4417142266200
  2  0  0  1  1
        0.6348591000     1.0000000000000
  2  0  0  1  1
        0.2108223500     1.0000000000000
  2  1  1  3  1
       13.571470233     -0.0400723988520
        2.9257372874    -0.2180704502800
        0.7992775075    -0.5129446604900
  2  1  1  1  1
        0.2391884400     1.0000000000000
  3  2  2  1  1
        0.5119810200     1.0000000000000
#
O  pob-DZVP-rev2
  6
  1  0  0  5  1
     2266.1767785      -0.005343180993
      340.87010191     -0.039890039230
       77.363135167    -0.178539119850
       21.479644940    -0.464276849590
        6.6589433124   -0.443097451720
  2  0  0  1  1
        0.8478937000    1.000000000000
  2  0  0  1  1
        0.2790534900    1.000000000000
  2  1  1  3  1
       17.721504317     0.043394573193
        3.8635505440    0.230941207650
        1.0480920883    0.513753110640
  2  1  1  1  1
        0.2623818000    1.000000000000
  3  2  2  1  1
        0.4790426200    1.000000000000
#
F  pob-DZVP-rev2
  6
  1  0  0  5  1
     2894.8325990       -0.0053408255515
      435.41939120      -0.0399042588660
       98.843328866     -0.1791276803800
       27.485198001     -0.4675809082500
        8.5405498171    -0.4465313102000
  2  0  0  1  1
        1.1206217000     1.0000000000000
  2  0  0  1  1
        0.3778534100     1.0000000000000
  2  1  1  3  1
       22.696633924     -0.0452128744360
        4.9872339257    -0.2375431706700
        1.3491613954    -0.5128735358700
  2  1  1  1  1
        0.3184307600     1.0000000000000
  3  2  2  1  1
        1.2725609300     1.0000000000000
#
Na pob-DZVP-rev2
  7
  1  0  0  5  1
     4098.2003908       -0.0058535911879
      616.49374031      -0.0436471618720
      139.96644001      -0.1943146588400
       39.073441051     -0.4868506573100
       11.929847205     -0.4188170513700
  2  0  0  3  1
       20.659966030      0.0859496898540
        1.9838860978    -0.5635914404100
        0.6483632394    -0.5195400904800
  3  0  0  1  1
        0.2501479300     1.0000000000000
  3  0  0  1  1
        0.1200013100     1.0000000000000
  2  1  1  5  1
       75.401862017      0.0154353625320
       17.274818978      0.0997382931840
        5.1842347425     0.3120959396600
        1.6601211973     0.4929567480700
        0.5123252896     0.3242039831800
  2  1  1  1  1
        0.1500052600     1.0000000000000
  3  2  2  1  1
        0.2522706400     1.0000000000000
#
Mg pob-DZVP-rev2
  7
  1  0  0  5  1
     4953.8339196       -0.0057778967498
      745.18044154      -0.0431247610820
      169.21604972      -0.1926821698700
       47.300672019     -0.4864143911600
       14.461336973     -0.4255089407700
  2  0  0  3  1
       24.768174789      0.0879569699840
        2.4940945349    -0.5516505812800
        0.8780758453    -0.5344329483300
  3  0  0  1  1
        0.3450688700     1.0000000000000
  3  0  0  1  1
        0.1500539900     1.0000000000000
  2  1  1  5  1
       98.053010494     -0.0144805646010
       22.586932277     -0.0954957507870
        6.8391509842    -0.3078767265100
        2.2332843818    -0.4993629288600
        0.7160659939    -0.3150347621300
  2  1  1  1  1
        0.2469232300     1.0000000000000
  3  2  2  1  1
        0.4148382900     1.0000000000000
#
Al pob-DZVP-rev2
  8
  1  0  0  5  1
     5887.5727030        0.0013483347987
      885.61225996       0.0100715768090
      201.13604899       0.0451324540560
       56.284974674      0.1146126804300
       17.229551243      0.1015960894300
  2  0  0  3  1
       29.340249922      0.0693474542080
        3.0439630420    -0.4252811767900
        1.1285539518    -0.4144983221000
  3  0  0  1  1
        0.7834298000     1.0000000000000
  3  0  0  1  1
        0.1440019200     1.0000000000000
  2  1  1  5  1
      145.11918809       0.0063963373134
       33.717894833      0.0441893599650
       10.369863083      0.1558157599300
        3.5135616036     0.2863528695100
        1.1980050273     0.2292142324800
  3  1  1  1  1
        0.3200672400     1.0000000000000
  3  1  1  1  1
        0.1500336200     1.0000000000000
  3  2  2  1  1
        0.1530089300     1.0000000000000
#
Si pob-DZVP-rev2
  8
  1  0  0  5  1
     6903.7118686        0.0013373962995
     1038.4346419        0.0099966546241
      235.87581480       0.0449101651010
       66.069385169      0.1146363854000
       20.247945761      0.1028006385800
  2  0  0  3  1
       34.353481730      0.0708372850100
        3.6370788192    -0.4302883625200
        1.4002048599    -0.4138277496900
  3  0  0  1  1
        0.6071355100     1.0000000000000
  3  0  0  1  1
        0.1560972800     1.0000000000000
  2  1  1  5  1
      179.83907373       0.0061916656462
       41.907258846      0.0433994319820
       12.955294367      0.1563201935100
        4.4383267393     0.2941999698200
        1.5462247904     0.2353682381400
  3  1  1  1  1
        0.3738706200     1.0000000000000
  3  1  1  1  1
        0.1400744900     1.0000000000000
  3  2  2  1  1
        0.3500000000     1.0000000000000

P  pob-DZVP-rev2
  8
  1  0  0  5  1
     8002.4795106        0.0057503489302
     1203.6813590        0.0430076289590
      273.44227031       0.1936398625200
       76.655541517      0.4965169339900
       23.516927435      0.4498326247900
  2  0  0  3  1
       39.791683439      0.0951881297890
        4.2770343323    -0.5764984036800
        1.6940256888    -0.5423958386500
  2  0  0  1  1
        0.8995735800     1.0000000000000
  3  0  0  1  1
        0.2876874300     1.0000000000000
  2  1  1  5  1
      219.50755823       0.0092100565257
       51.274155030      0.0654097657450
       15.921595892      0.2403373027900
        5.5069913481     0.4631832178800
        1.9537719426     0.3739256338200
  3  1  1  1  1
        0.5526276500     1.0000000000000
  3  1  1  1  1
        0.1635434500     1.0000000000000
  3  2  2  1  1
        0.4500000000     1.0000000000000
#
S  pob-DZVP-rev2
  8
  1  0  0  5  1
     9184.9303010       -0.0022294387756
     1381.5105503       -0.0166830299370
      313.87147580      -0.0752624361160
       88.053870623     -0.1937682703800
       27.039914905     -0.1771802080300
  2  0  0  3  1
       45.648731303     -0.1073606257300
        4.9664522326     0.6506629301800
        2.0116242047     0.5971215535400
  3  0  0  1  1
        0.3846557700     1.0000000000000
  3  0  0  1  1
        0.1485543300     1.0000000000000
  2  1  1  5  1
      261.98233439      -0.0092729929822
       61.306894736     -0.0665476692410
       19.103729887     -0.2482859590300
        6.6567720378    -0.4870384740200
        2.3959635161    -0.3933785031200
  3  1  1  1  1
        0.6742097700     1.0000000000000
  3  1  1  1  1
        0.1697373600     1.0000000000000
  3  2  2  1  1
        0.1500000000     1.0000000000000
#
Cl pob-DZVP-rev2
  8
  1  0  0  5  1
    10449.827566         0.0019708362484
     1571.7365221        0.0147547279770
      357.12065523       0.0666791128750
      100.25185935       0.1722892408400
       30.812727554      0.1588378610000
  2  0  0  3  1
       51.923789434     -0.1000929890900
        5.7045760975     0.6084175275300
        2.3508376809     0.5435215335500
  3  0  0  1  1
        0.5111756700     1.0000000000000
  3  0  0  1  1
        0.1916276100     1.0000000000000
  2  1  1  5  1
      307.66790569      -0.0087801484118
       72.102015515     -0.0635633554710
       22.532680262     -0.2401642827600
        7.8991765444    -0.4779886655700
        2.8767268321    -0.3851585000500
  3  1  1  1  1
        1.1066398400     1.0000000000000
  3  1  1  1  1
        0.2588839100     1.0000000000000
  3  2  2  1  1
        0.6513145300     1.0000000000000
#
K  pob-DZVP-rev2
  9
  1  0  0  6  1
    31478.746764         0.0039838653994
     4726.8876066        0.0305017597620
     1075.4345353        0.1507375262200
      303.39811023       0.5191293980100
       98.327112831      1.0366957005000
       33.636222177      0.7639896319900
  2  0  0  3  1
       65.639209962     -0.2824261710600
        7.3162592218     1.6914935860000
        2.8902580135     1.2965331953000
  3  0  0  3  1
        4.5459748965    -0.0076343555273
        0.7040412406     0.0256357189600
        0.28266888959    0.0166068592080
  4  0  0  1  1
        0.2905816400     1.0000000000000
  4  0  0  1  1
        0.1300423900     1.0000000000000
  2  1  1  5  1
      361.22492154       0.0209064798230
       84.670222166      0.1504364174000
       26.469088236      0.5544006107700
        9.2658077615     1.0409009991000
        3.3423388293     0.6782534119400
  3  1  1  3  1
        1.5100876104     0.7524819114600
        0.5656837516     1.3708585031000
        0.2081700850     0.6604763307900
  3  1  1  1  1
        0.1517370000     1.0000000000000
  3  2  2  1  1
        0.3966958300     1.0000000000000

Ca pob-DZVP-rev2
  9
  1  0  0  6  1
    35138.713929        0.003948252074
     5276.4111348       0.030234243552
     1200.4692589       0.149520196810
      338.71810542      0.515973457130
      109.85385922      1.033951029600
       37.608880299     0.769379335260
  2  0  0  3  1
       73.107977555    -0.282685250110
        8.2407705688    1.679609214200
        3.2959812993    1.280376601600
  3  0  0  3  1
        5.23418009140  -0.007686860456
        0.84187220515   0.025382375978
        0.36510294029   0.016512171511
  4  0  0  1  1
        0.3207089200    1.000000000000
  4  0  0  1  1
        0.1400001600    1.000000000000
  2  1  1  5  1
      413.11313893      0.020327135354
       96.935786224     0.147302763620
       30.372154659     0.548871673220
       10.684776830     1.044065981800
        3.8821258350    0.686534906840
  3  1  1  3  1
        1.7993016295    0.754102468710
        0.6918905653    1.340929659900
        0.2636402410    0.563919894350
  3  1  1  1  1
        0.1400000000    1.000000000000
  3  2  2  1  1
        0.5251112100    1.000000000000
#
Sc pob-DZVP-rev2
 11
  1  0  0  6  1
    38956.081804         0.0039293205858
     5849.5733637        0.0300932212290
     1330.8813154        0.1489037095000
      375.55534165       0.5146428290600
      121.87261370       1.0337708070000
       41.760243729      0.7743685162700
  2  0  0  3  1
       81.060633953     -0.2831855231600
        9.2059823972     1.6770806984000
        3.7063215732     1.2594733678000
  3  0  0  3  1
        5.9888909988    -0.0077821367493
        0.9736343238     0.0254996927450
        0.4204101922     0.0161915608200
  4  0  0  1  1
        0.4103497400     1.0000000000000
  4  0  0  1  1
        0.1400237900     1.0000000000000
  2  1  1  5  1
      466.31481262       0.0199843003900
      109.51217097       0.1456104307200
       34.375921827      0.5468746622300
       12.142096955      1.0479006012000
        4.4336767669     0.6889489032700
  3  1  1  3  1
        2.0971291866     0.7561921472400
        0.8097760696     1.3178212235000
        0.3083404659     0.5431226817300
  3  1  1  1  1
        0.2103537500     1.0000000000000
  3  2  2  4  1
       19.240334928      0.0270390821440
        5.1178995899     0.1380368474300
        1.6554278827     0.3486908640300
        0.5401635561     0.4859418571700
  3  2  2  1  1
        0.1611818500     1.0000000000000
  4  3  3  1  1
        0.3450000000     1.0000000000000
#
Ti pob-DZVP-rev2
 11
  1  0  0  6  1
    42961.5121850        0.0039127635355
     6450.97591690       0.0299698204890
     1467.72109150       0.1483635270700
      414.209973550      0.5134728532400
      134.487158400      1.0335365483000
       46.1222097960     0.7785423393000
  2  0  0  3  1
       89.4477625430    -0.2838540125900
       10.2233460600     1.6772785333000
        4.13537742710    1.2411928456000
  3  0  0  3  1
        6.78961814520   -0.0078399994518
        1.11067306910    0.0254954930190
        0.47565975578    0.0160611728920
  4  0  0  1  1
        0.31748035000    1.0000000000000
  4  0  0  1  1
        0.15000110000    1.0000000000000
  2  1  1  5  1
      522.036847820      0.0197541796420
      122.686494890      0.1446067761900
       38.5729036110     0.5466900416500
       13.6721693190     1.0531647540000
        5.01185293590    0.6911121336300
  3  1  1  3  1
        2.41319282820    0.7580343713600
        0.93252270050    1.3036241399000
        0.35429058390    0.5363865330000
  3  1  1  1  1
        0.25003159000    1.0000000000000
  3  2  2  4  1
       23.4651259570     0.0265363801150
        6.33325938320    0.1379645396300
        2.07664899460    0.3531264422800
        0.69027361954    0.4864712416600
  3  2  2  1  1
        0.18915399000    1.0000000000000
  4  3  3  1  1
        0.56200000000    1.0000000000000
#
V  pob-DZVP-rev2
 11
  1  0  0  6  1
    47160.376060         0.0014498688908
     7081.4110871        0.0111064352510
     1611.1621223        0.0550054235850
      454.72940551       0.1906025259100
      147.71321208       0.3843502295700
       50.699538950      0.2909554679200
  2  0  0  3  1
       98.262492669     -0.1094233785600
       11.294293099      0.6453949039900
        4.5853360105     0.4711788077700
  3  0  0  3  1
        7.6359689588    -0.2045494905400
        1.2539836689     0.5259485276400
        0.5327193539     0.2556058274800
  4  0  0  1  1
        0.4384774900     1.0000000000000
  4  0  0  1  1
        0.1969337700     1.0000000000000
  2  1  1  5  1
      580.55044988       0.0097315110917
      136.52341127       0.0715312411370
       42.983958820      0.2719768841400
       15.282798763      0.5261898889300
        5.6202495154     0.3445253349800
  3  1  1  3  1
        2.7485386415     0.3404039649600
        1.0618550073     0.5798399612000
        0.4023551865     0.2391164308300
  3  1  1  1  1
        0.2914552600     1.0000000000000
  3  2  2  4  1
       27.358434017      0.0266419270500
        7.4540604253     0.1399531172600
        2.4633917847     0.3575106663900
        0.8248092528     0.4848835414800
  3  2  2  1  1
        0.1669591800     1.0000000000000
  4  3  3  1  1
        0.5310000000     1.0000000000000
#
Cr pob-DZVP-rev2
 11
  1  0  0  6  1
    51528.0863490        0.0014405823106
     7737.21034870       0.0110362022870
     1760.37484700       0.0546766518060
      496.877065440      0.1896503810300
      161.465205980      0.3829541285000
       55.4663522680     0.2909005066800
  2  0  0  3  1
      107.547329990     -0.1093228110000
       12.4086718970     0.6447259947100
        5.04236288260    0.4626271256000
  3  0  0  3  1
        8.54616401650   -0.2271101328600
        1.39004412210    0.7330152759100
        0.56066602876    0.4422556543300
  4  0  0  1  1
        0.48497949000    1.0000000000000
  4  0  0  1  1
        0.14539019000    1.0000000000000
  2  1  1  5  1
      640.485360960      0.0096126715203
      150.697111940      0.0708898346550
       47.5037552960     0.2706525899000
       16.9341201650     0.5243734341400
        6.24096805900    0.3410799471400
  3  1  1  3  1
        3.08854632060    0.3397398690300
        1.17910477690    0.5727206292700
        0.43369774432    0.2458272820600
  3  1  1  1  1
        0.33254991000    1.0000000000000
  3  2  2  4  1
       27.5594794260     0.0306124880440
        7.46870203270    0.1559327094400
        2.43459035740    0.3698442127600
        0.78244754808    0.4707111807700
  3  2  2  1  1
        0.21679761000    1.0000000000000
  4  3  3  1  1
        1.14700000000    1.0000000000000
#
Mn pob-DZVP-rev2
 11
  1  0  0  6  1
    56137.0090370        0.0014321304702
     8429.20639430       0.0109725091620
     1917.82772330       0.0543824687120
      541.362301980      0.1888433512900
      176.000691420      0.3819802505400
       60.5004770100     0.2915677259600
  2  0  0  3  1
      117.172828820     -0.1093366132800
       13.5969733680     0.6430503943100
        5.54839963410    0.4584897058400
  3  0  0  3  1
        9.46628535300   -0.2253897725900
        1.55950060700    0.7230775865700
        0.65230205868    0.4530072153600
  4  0  0  1  1
        0.32978445000    1.0000000000000
  4  0  0  1  1
        0.14042718000    1.0000000000000
  2  1  1  5  1
      706.004975350      0.0095055518167
      166.197288200      0.0703562711420
       52.4520619060     0.2700555698200
       18.7469328620     0.5257434460200
        6.92829916220    0.3425403322300
  3  1  1  3  1
        3.47722049380    0.3399407373600
        1.34069064490    0.5720383625400
        0.50498803038    0.2384760583100
  3  1  1  1  1
        0.21289599000    1.0000000000000
  3  2  2  4  1
       35.4232649350     0.0269853041110
        9.78142214510    0.1438345864800
        3.26734887670    0.3641895837700
        1.10264721890    0.4815267066100
  3  2  2  1  1
        0.32317618000    1.0000000000000
  4  3  3  1  1
        1.12600000000    1.0000000000000
#
Fe pob-DZVP-rev2
 11
  1  0  0  6  1
    60923.640643         0.0014302254466
     9147.8893982        0.0109587900380
     2081.3505927        0.0543325542480
      587.55977067       0.1888499500900
      191.09043990       0.3825306994600
       65.732730112      0.2930833598400
  2  0  0  3  1
      127.25891928      -0.1096456492500
       14.830913010      0.6438763133200
        6.0653307408     0.4547234732300
  3  0  0  3  1
       10.449943710     -0.2253963995200
        1.7245228003     0.7216439815600
        0.7177217733     0.4498549292200
  4  0  0  1  1
        0.5185142600     1.0000000000000
  4  0  0  1  1
        0.1411818500     1.0000000000000
  2  1  1  5  1
      773.43750995       0.0094325735144
      182.15149714       0.0700296205750
       57.547272758      0.2699365199600
       20.614988935      0.5270001104700
        7.6348557890     0.3428414802800
  3  1  1  3  1
        3.8719327990     0.3397440298800
        1.4924724132     0.5684259400500
        0.5606128496     0.2364936583900
  3  1  1  1  1
        0.4057599100     1.0000000000000
  3  2  2  4  1
       38.968133419      0.0278796643820
       10.800067078      0.1485831998200
        3.6136457999     0.3690547949600
        1.2129967888     0.4774510088300
  3  2  2  1  1
        0.3292804600     1.0000000000000
  4  3  3  1  1
        1.5980000000     1.0000000000000
#
Co pob-DZVP-rev2
 11
  1  0  0  6  1
    65902.208257         0.0014284614936
     9895.3896027        0.0109460727830
     2251.4305789        0.0542859538900
      635.61097084       0.1888517907900
      206.78820681       0.3830163499400
       71.179242971      0.2944355126600
  2  0  0  3  1
      137.77268040      -0.1099022173600
       16.118079243      0.6445553739500
        6.6030327710     0.4511678792400
  3  0  0  3  1
       11.479915788     -0.2259384691000
        1.8956426324     0.7223140900800
        0.7846623207     0.4490381229600
  4  0  0  1  1
        0.4348075800     1.0000000000000
  4  0  0  1  1
        0.2101019300     1.0000000000000
  2  1  1  5  1
      843.64358575       0.0093866097254
      198.76386994       0.0698802087160
       62.854963098      0.2703707034500
       22.562842280      0.5290478688000
        8.3713209127     0.3435702957900
  3  1  1  3  1
        4.2858719800     0.3402799903600
        1.6508041817     0.5669339238400
        0.6183423110     0.2361797978300
  3  1  1  1  1
        0.1630982500     1.0000000000000
  3  2  2  4  1
       42.927867612      0.0284877883650
       11.942533053      0.1520695128300
        4.0046495664     0.3731091399900
        1.3413193804     0.4754983767600
  3  2  2  1  1
        0.2886814600     1.0000000000000
  4  3  3  1  1
        1.9030000000     1.0000000000000
#
Ni pob-DZVP-rev2
 11
  1  0  0  6  1
    71074.803211        0.001426038673
    10672.020941        0.010928236994
     2428.1389007       0.054212626938
      685.53595148      0.188747689020
      223.10072863      0.383246169850
       76.842014042     0.295506371440
  2  0  0  3  1
      148.71122016     -0.110144430590
       17.459154987     0.645214269880
        7.1625280665    0.447978381030
  3  0  0  3  1
       12.556137125    -0.226454032240
        2.0735740488    0.723209592860
        0.8538264060    0.448680264760
  4  0  0  1  1
        0.4174245700    1.000000000000
  4  0  0  1  1
        0.1404726200    1.000000000000
  2  1  1  5  1
      916.73608662      0.009343963561
      216.06139913      0.069737374902
       68.383914817     0.270734950120
       24.593843952     0.530783015490
        9.1392960204    0.344102294380
  3  1  1  3  1
        4.7193371746    0.340760820160
        1.8161849234    0.565801696110
        0.6784075072    0.236167173610
  3  1  1  1  1
        0.4119464100    1.000000000000
  3  2  2  4  1
       47.093832108     0.028982316948
       13.146463975     0.154949959500
        4.4170548925    0.376331151110
        1.4771565078    0.473650960140
  3  2  2  1  1
        0.4238000700    1.000000000000
  4  3  3  1  1
        2.1740000000    1.000000000000
#
Cu pob-DZVP-rev2
 11
  1  0  0  6  1
    76381.348056         0.0014336079896
    11468.777499         0.0109867498650
     2609.4246495        0.0545136524650
      736.75033098       0.1899012825800
      239.82419958       0.3858195921100
       82.656829252      0.2979060749800
  2  0  0  3  1
      160.13544196      -0.1114677856700
       18.834177695      0.6534930103100
        7.7176595741     0.4477053442100
  3  0  0  3  1
       13.710846717     -0.2287091112200
        2.2349895670     0.7346442303100
        0.8781836006     0.4327307087400
  4  0  0  1  1
        0.7389003700     1.0000000000000
  4  0  0  1  1
        0.1720064700     1.0000000000000
  2  1  1  5  1
      991.24075782       0.0093878498798
      233.69376116       0.0702082824580
       74.020930927      0.2732352222000
       26.664967447      0.5358079272800
        9.9192087478     0.3457579490600
  3  1  1  3  1
        5.1519553926     0.3422910808300
        1.9638205828     0.5645659248400
        0.7156009704     0.2407858431800
  3  1  1  1  1
        0.3579068100     1.0000000000000
  3  2  2  4  1
       47.335049590      0.0323755477580
       13.161666077      0.1681021868400
        4.3693777244     0.3847770798200
        1.4132925109     0.4614788017800
  3  2  2  1  1
        0.3231420000     1.0000000000000
  4  3  3  1  1
        2.2330000000     1.0000000000000
#
Zn pob-DZVP-rev2
 11
  1  0  0  6  1
    82000.711629        0.001421076400
    12312.471777        0.010891499487
     2801.3944193       0.054057188059
      790.99424302      0.188474639040
      257.56551079      0.383465493460
       88.814933400     0.297237941970
  2  0  0  3  1
      171.86353716     -0.110518495230
       20.302534785     0.646077169840
        8.3464123068    0.442201173220
  3  0  0  3  1
       14.847536940    -0.227053092780
        2.4495029507    0.724332179350
        0.9984582182    0.448364955920
  4  0  0  1  1
        0.4816363300    1.000000000000
  4  0  0  1  1
        0.1957354600    1.000000000000
  2  1  1  5  1
     1071.5185372       0.009276779724
      252.69712152      0.069541149430
       80.100829126     0.271567725640
       28.903393172     0.534013555730
       10.768899879     0.345013234460
  3  1  1  3  1
        5.6446212530    0.341296001640
        2.1678291347    0.563905219730
        0.8054089834    0.236761097350
  3  1  1  1  1
        0.2717229500    1.000000000000
  3  2  2  4  1
       56.088939191     0.029588869140
       15.751908917     0.158725714040
        5.3115812367    0.379762291590
        1.7737904917    0.468989591720
  3  2  2  1  1
        0.5008942200    1.000000000000
  4  3  3  1  1
        2.6140000000    1.000000000000
#
Ga pob-DZVP-rev2
 12
  1  0  0  6  1
    87842.126296         0.0014271588798
    13189.496402         0.0109388940970
     3000.9482141        0.0543082001270
      847.38425966       0.1895105598300
      276.00980642       0.3861518591800
       95.216672071      0.3005108271900
  2  0  0  3  1
      184.00703968      -0.1112446196300
       21.827051433      0.6483132291800
        9.0026963761     0.4435838359400
  3  0  0  3  1
       16.033176938     -0.2301429955500
        2.6707724878     0.7294686151600
        1.1252834170     0.4621497695100
  4  0  0  1  1
        0.9338577400     1.0000000000000
  4  0  0  1  1
        0.1574498300     1.0000000000000
  2  1  1  5  1
     1167.2665844        0.0090974021307
      275.38062789       0.0684562733430
       87.375073070      0.2692229388800
       31.597254670      0.5350789788200
       11.824122798      0.3527906276000
  3  1  1  3  1
        6.2881845133     0.3393824453000
        2.5199853240     0.5687194760800
        1.0169726306     0.2771769493900
  4  1  1  1  1
        0.3650037800     1.0000000000000
  4  1  1  1  1
        0.1507841800     1.0000000000000
  3  2  2  4  1
       65.354237674      0.0273701463820
       18.504656747      0.1509946397600
        6.3179620632     0.3748532854500
        2.1641389426     0.4751060685100
  3  2  2  1  1
        0.6662863400     1.0000000000000
  3  2  2  1  1
        0.1526260800     1.0000000000000
#
Ge pob-DZVP-rev2
 12
  1  0  0  6  1
    93889.836642         0.0014233976060
    14097.497528         0.0109107956540
     3207.5477309        0.0541837059430
      905.76727269       0.1892282034900
      295.11014693       0.3861284700100
      101.84713141       0.3016405073600
  2  0  0  3  1
      196.56719662      -0.1111877094000
       23.405292522      0.6461600736900
        9.6839116702     0.4418890456800
  3  0  0  3  1
       17.269736544     -0.2302742137500
        2.8964622160     0.7301716939800
        1.2553621412     0.4619722225500
  4  0  0  1  1
        1.1396354400     1.0000000000000
  4  0  0  1  1
        0.2182833100     1.0000000000000
  2  1  1  5  1
     1259.2085995        0.0090115464252
      297.15626382       0.0679868416890
       94.353387522      0.2685385648800
       34.176329677      0.5365964921900
       12.816139615      0.3563351496100
  3  1  1  3  1
        6.8471029784     0.3390069311900
        2.7717363939     0.5680936526400
        1.1458418175     0.2724653988400
  3  1  1  1  1
        0.3917114300     1.0000000000000
  4  1  1  1  1
        0.1400040000     1.0000000000000
  3  2  2  4  1
       74.782168177      0.0257558602050
       21.310849759      0.1453681613200
        7.3464792363     0.3713420985900
        2.5656271395     0.4800299843600
  3  2  2  1  1
        0.9421431900     1.0000000000000
  3  2  2  1  1
        0.2637066200     1.0000000000000
#
As pob-DZVP-rev2
 12
  1  0  0  6  1
   100146.52554          0.0014258349617
    15036.861711         0.0109301769630
     3421.2902833        0.0542941746100
      966.16965717       0.1897607815300
      314.87394026       0.3877519545300
      108.70823790       0.3040281204000
  2  0  0  3  1
      209.54238950      -0.1116209420400
       25.038221139      0.6469760776200
       10.390964343      0.4422360867300
  3  0  0  3  1
       18.555090093     -0.2299419056900
        3.1281217449     0.7331910761300
        1.3884885073     0.4553365394300
  4  0  0  1  1
        0.4181824500     1.0000000000000
  4  0  0  1  1
        0.1550131000     1.0000000000000
  2  1  1  5  1
     1355.6443507        0.0089182507898
      319.99929270       0.0674547507170
      101.67734092       0.2675977211000
       36.886323845      0.5377684452000
       13.861115909      0.3599257024400
  3  1  1  3  1
        7.4260666912     0.3403684963700
        3.0316247187     0.5703014933400
        1.2783078340     0.2660617023800
  4  1  1  1  1
        0.5541281300     1.0000000000000
  4  1  1  1  1
        0.1782049800     1.0000000000000
  3  2  2  4  1
       84.445514539      0.0245184027240
       24.190416102      0.1410745467700
        8.4045015119     0.3687522891500
        2.9808970748     0.4840956136200
  3  2  2  1  1
        0.9609040000     1.0000000000000
  3  2  2  1  1
        0.1643010400     1.0000000000000
#
Se pob-DZVP-rev2
 12
  1  0  0  6  1
   106612.20027          0.0014274889113
    16007.604701         0.0109435251140
     3642.1699707        0.0543741715960
     1028.5912993        0.1901809294700
      335.30298888       0.3891302169600
      115.80129154       0.3062020708800
  2  0  0  3  1
      222.93325020      -0.1119880800900
       26.726257934      0.6475212420700
       11.124501923      0.4424197665100
  3  0  0  3  1
       19.888520061     -0.2285722776200
        3.3668473803     0.7359135995100
        1.5249277839     0.4433019957700
  4  0  0  1  1
        0.5304965700     1.0000000000000
  4  0  0  1  1
        0.2012996100     1.0000000000000
  2  1  1  5  1
     1455.9068120        0.0088203597043
      343.75101831       0.0668758519670
      109.29554964       0.2664057808000
       39.707711022      0.5383492842200
       14.950185232      0.3630328199300
  3  1  1  3  1
        8.0208962094     0.3415380702500
        3.2934649756     0.5725790658300
        1.4058602438     0.2554981322200
  4  1  1  1  1
        0.5015097700     1.0000000000000
  4  1  1  1  1
        0.1509689200     1.0000000000000
  3  2  2  4  1
       94.494024044      0.0234901010980
       27.188185260      0.1374773576700
        9.5091567352     0.3664992912400
        3.4170516853     0.4875098988400
  3  2  2  1  1
        1.0106184400     1.0000000000000
  3  2  2  1  1
        0.1503429700     1.0000000000000
#
Br pob-DZVP-rev2
 12
  1  0  0  6  1
   113286.38776          0.0014283037779
    17009.626303         0.0109504174960
     3870.1842567        0.0544210066040
     1093.0357227        0.1904790769500
      356.39721797       0.3902464273700
      123.12539643       0.3081443251400
  2  0  0  3  1
      236.74084007      -0.1122806567100
       28.468661070      0.6477596231200
       11.883443722      0.4423557598600
  3  0  0  3  1
       21.269633312     -0.2264257632300
        3.6129226841     0.7382371200800
        1.6626648969     0.4268386869400
  4  0  0  1  1
        0.5091510600     1.0000000000000
  4  0  0  1  1
        0.2448482800     1.0000000000000
  2  1  1  5  1
     1560.2801881        0.0087166669072
      368.47859205       0.0662436374200
      117.22978849       0.2649561038500
       42.648909248      0.5383916058700
       16.087225096      0.3657938788800
  3  1  1  3  1
        8.6352810058     0.3424878736600
        3.5613665502     0.5750067821300
        1.5292626609     0.2433039417200
  4  1  1  1  1
        0.5560447400     1.0000000000000
  4  1  1  1  1
        0.1564046700     1.0000000000000
  3  2  2  4  1
      104.85518642       0.0226501475810
       30.281143688      0.1345548323000
       10.651394267      0.3647445453700
        3.8699456233     0.4904458705600
  3  2  2  1  1
        1.2561204000     1.0000000000000
  3  2  2  1  1
        0.2125147300     1.0000000000000

#  pob-TZVP-rev2
# Elements                             References
# --------                             ----------
# H-Br:  Vilela Oliveira, D., Laun, J., Peintinger, M. F., Bredow, T.,
#        J. Comput. Chem. (2019), 40, 2364-2376. https://doi.org/10.1002/jcc.26013
# Rb-I:  Laun, J., Bredow, T., J. Comput. Chem. (2022) 43, 839-846. https://doi.org/10.1002/jcc.26839
# Cs-Po: Laun, J., Bredow, T., J. Comput. Chem. (2021), 42, 1064-1072. https://doi.org/10.1002/jcc.26521
# For Rb-Po use the ECP from ECP_POTENTIALS_pob-TZVP-rev2
H  pob-TZVP-rev2
  4
  1  0  0  3  1
       34.061341000   0.00602519780
        5.1235746000  0.04502109400
        1.1646626000  0.20189726000
  1  0  0  1  1
        0.5157455100  1.00000000000
  1  0  0  1  1
        0.1795111000  1.00000000000
  2  1  1  1  1
        0.5000000000  1.00000000000
#
Li pob-TZVP-rev2
  5
  1  0  0  6  1
     6269.2628010        0.00020540968826
      940.31612431       0.00159165540890
      214.22107528       0.00828698297070
       60.759840184      0.03385637424900
       19.915152032      0.11103225876000
        7.3171509797     0.27449383329000
  2  0  0  2  1
        2.9724674216     0.23792456411000
        1.2639852314     0.30765411924000
  2  0  0  1  1
        0.5025516200     1.00000000000000
  2  0  0  1  1
        0.1200746200     1.00000000000000
  2  1  1  1  1
        0.1320350000     1.00000000000000
#
Be pob-TZVP-rev2
  5
  1  0  0  6  1
     4700.2365626        0.00023584389316
      704.82845622       0.00182437910190
      160.43110478       0.00939661482240
       45.425347336      0.03690892415900
       14.798334125      0.10897561281000
        5.3512452537     0.21694284551000
  2  0  0  2  1
        2.1542044819     0.44695408857000
        0.9336374440     0.20866985771000
  2  0  0  1  1
        0.3017450800     1.00000000000000
  2  0  0  1  1
        0.1411145200     1.00000000000000
  2  1  1  1  1
        0.6526215700     1.00000000000000
#
B  pob-TZVP-rev2
  8
  1  0  0  6  1
     8564.86606870       0.00022837198155
     1284.15162630       0.00176825764470
      292.278716040      0.00914070805160
       82.7754691760     0.03634263898900
       27.0179392690     0.11063458441000
        9.81496196600    0.23367344321000
  2  0  0  2  1
        3.93185590590    0.41818777978000
        1.65955997120    0.22325473798000
  2  0  0  1  1
        0.53318702000    1.00000000000000
  2  0  0  1  1
        0.20659351000    1.00000000000000
  2  1  1  4  1
       22.4538758030     0.00502655751790
        5.10450583300    0.03280173896500
        1.49860813440    0.13151230768000
        0.50927831315    0.33197167769000
  2  1  1  1  1
        0.53857716000    1.00000000000000
  2  1  1  1  1
        0.20928858000    1.00000000000000
  3  2  2  1  1
        0.75005942000    1.00000000000000
#
C  pob-TZVP-rev2
  8
  1  0  0  6  1
    13575.349682         0.00022245814352
     2035.2333680        0.00172327382520
      463.22562359       0.00892557153140
      131.20019598       0.03572798450200
       42.853015891      0.11076259931000
       15.584185766      0.24295627626000
  2  0  0  2  1
        6.2067138508     0.41440263448000
        2.5764896527     0.23744968655000
  2  0  0  1  1
        0.4941102000     1.00000000000000
  2  0  0  1  1
        0.1644071000     1.00000000000000
  2  1  1  4  1
       34.697232244      0.00533336578050
        7.9582622826     0.03586410909200
        2.3780826883     0.14215873329000
        0.8143320818     0.34270471845000
  2  1  1  1  1
        0.5662417100     1.00000000000000
  2  1  1  1  1
        0.1973545000     1.00000000000000
  3  2  2  1  1
        0.5791584200     1.00000000000000
#
N  pob-TZVP-rev2
  8
  1  0  0  6  1
    19730.800647         0.00021887984991
     2957.8958745        0.00169607088030
      673.22133595       0.00879546035380
      190.68249494       0.03535938260500
       62.295441898      0.11095789217000
       22.654161182      0.24982972552000
  2  0  0  2  1
        8.9791477428     0.4062389614800
        3.6863002370     0.2433821717600
  2  0  0  1  1
        0.7865398200     1.0000000000000
  2  0  0  1  1
        0.2677997200     1.0000000000000
  2  1  1  4  1
       49.200380510      0.0055552416751
       11.346790537      0.0380523797230
        3.4273972411     0.1495367102900
        1.1785525134     0.3494930523000
  2  1  1  1  1
        0.3780331700     1.0000000000000
  2  1  1  1  1
        0.1473661500     1.0000000000000
  3  2  2  1  1
        0.3612294900     1.0000000000000
#
O  pob-TZVP-rev2
  8
  1  0  0  6  1
    27032.382631         0.00021726302465
     4052.3871392        0.00168386621990
      922.32722710       0.00873956162650
      261.24070989       0.03523996880800
       85.354641351      0.11153519115000
       31.035035245      0.25588953961000
  2  0  0  2  1
       12.260860728      0.39768730901000
        4.9987076005     0.24627849430000
  2  0  0  1  1
        1.0987136000     1.00000000000000
  2  0  0  1  1
        0.3565870100     1.00000000000000
  2  1  1  4  1
       63.274954801      0.0060685103418
       14.627049379      0.0419125758240
        4.4501223456     0.1615384108800
        1.5275799647     0.3570695131100
  2  1  1  1  1
        0.5489735000     1.0000000000000
  2  1  1  1  1
        0.1858671100     1.0000000000000
  3  2  2  1  1
        0.4534621300     1.0000000000000
#
F  pob-TZVP-rev2
  8
  1  0  0  6  1
    35479.100441         0.00021545014888
     5318.4728983        0.00167006865270
     1210.4810975        0.00867332114760
      342.85518140       0.03504993317500
      112.01943181       0.11165320133000
       40.714740248      0.25988506647000
  2  0  0  2  1
       16.039678111      0.39422966880000
        6.5038186740     0.24998238551000
  2  0  0  1  1
        1.4420074900     1.00000000000000
  2  0  0  1  1
        0.4597725800     1.00000000000000
  2  1  1  4  1
       80.233900483      0.00636859991340
       18.594010743      0.04430314353000
        5.6867902653     0.16867248708000
        1.9511006294     0.36166346255000
  2  1  1  1  1
        0.6922845200     1.00000000000000
  2  1  1  1  1
        0.1983553200     1.00000000000000
  3  2  2  1  1
        1.0631263500     1.00000000000000
#
Na pob-TZVP-rev2
  9
  1  0  0  7  1
    26041.1099270         0.00061806342811
     3906.12685480        0.00477486044140
      888.974549930       0.02447168482900
      251.454979610       0.09475539497700
       81.6501435120      0.26867496920000
       28.9041584010      0.47925475440000
       10.6257829320      0.33248591469000
  2  0  0  3  1
       53.7694101790      0.01952773187200
       16.3082430250      0.09264801079400
        2.37303841250    -0.39938670172000
  3  0  0  2  1
        0.95730772603     1.64285953910000
        0.40806460959     0.55692596966000
  3  0  0  1  1
        0.42460191000     1.00000000000000
  3  0  0  1  1
        0.12055549000     1.00000000000000
  2  1  1  5  1
      138.079799890       0.00579518919290
       32.2327003930      0.04162084625100
        9.98160753600     0.16281916885000
        3.48220339280     0.36011784647000
        1.22991346200     0.44858979889000
  2  1  1  1  1
        0.40094322000     1.00000000000000
  2  1  1  1  1
        0.12067345000     1.00000000000000
  3  2  2  1  1
        0.30530000000     1.00000000000000
#
Mg pob-TZVP-rev2
  9
  1  0  0  7  1
    31438.3495550         0.00060912311326
     4715.51533540        0.00470661964650
     1073.16292470        0.02413582065700
      303.572387680       0.09362895983400
       98.6262510420      0.26646742093000
       34.9438084170      0.47890929917000
       12.8597851990      0.33698490286000
  2  0  0  3  1
       64.8769130040      0.01918088930700
       19.7255207770      0.09091370439200
        2.89518043390    -0.39563756125000
  3  0  0  2  1
        1.19604547100     1.68276033730000
        0.54329451156     0.52141091954000
  3  0  0  1  1
        0.83471188300     1.00000000000000
  3  0  0  1  1
        0.14506887000     1.00000000000000
  2  1  1  5  1
      179.871896120       0.00537995490180
       42.1200693760      0.03931801409800
       13.1205030320      0.15740129476000
        4.62575036090     0.35919094128000
        1.66952110160     0.45533379310000
  2  1  1  1  1
        0.56631001000     1.00000000000000
  2  1  1  1  1
        0.18813966000     1.00000000000000
  3  2  2  1  1
        0.29355357000     1.00000000000000
#
Al pob-TZVP-rev2
 10
  1  0  0  7  1
    37792.5507720         0.00057047888709
     5668.06821650        0.00440930165380
     1289.85828410        0.02263096741100
      364.865960280       0.08802564429500
      118.576315150       0.25223701612000
       42.0248676050      0.45960547169000
       15.4995016290      0.33277886014000
  2  0  0  3  1
       75.2080265980      0.01925056019000
       23.0314089720      0.08790674395200
        3.63487976490    -0.34246704535000
  3  0  0  2  1
        1.95000627000     1.01062661000000
        0.96103395000     0.38071016000000
  3  0  0  1  1
        0.39881874000     1.00000000000000
  3  0  0  1  1
        0.14940937000     1.00000000000000
  2  1  1  5  1
      452.523031920       0.00231108124660
      107.081950490       0.01856864182300
       34.1310212550      0.08721623703500
       12.5870374280      0.26902101523000
        4.98119197040     0.52128324272000
  3  1  1  1  1
        1.93791887000     1.00000000000000
  3  1  1  1  1
        0.72047185000     1.00000000000000
  3  1  1  1  1
        0.18328583000     1.00000000000000
  3  2  2  1  1
        0.57798580000     1.00000000000000
#
Si pob-TZVP-rev2
 10
  1  0  0  7  1
    44773.358078          0.00055914765868
     6717.1992104         0.00432060401890
     1528.8960325         0.02218709646000
      432.54746585        0.08648924911600
      140.61505226        0.24939889716000
       49.857636724       0.46017197366000
       18.434974885       0.34250236575000
  2  0  0  3  1
       86.533886111       0.02130006300700
       26.624606846       0.09467613931800
        4.4953057159     -0.32616264859000
  3  0  0  2  1
        2.1035045710      1.39808038500000
        1.3106094922      0.63865786699000
  3  0  0  1  1
        0.5422443800      1.00000000000000
  3  0  0  1  1
        0.1460762500      1.00000000000000
  2  1  1  5  1
      394.47503628        0.00262856939590
       93.137683104       0.02055625774900
       29.519608742       0.09207026280100
       10.781663791       0.25565889739000
        4.1626574778      0.42111707185000
  3  1  1  1  1
        1.4499318500      1.00000000000000
  3  1  1  1  1
        0.4949286700      1.00000000000000
  3  1  1  1  1
        0.1346786100      1.00000000000000
  3  2  2  1  1
        0.3074090300      1.00000000000000
#
P  pob-TZVP-rev2
 10
  1  0  0  7  1
    52426.999233         0.0005520716410
     7863.2660552        0.0042678595308
     1789.5227333        0.0219315291860
      506.27300165       0.0856671683730
      164.60698546       0.2484068660500
       58.391918722      0.4633675397100
       21.643663201      0.3535055815600
  2  0  0  3  1
       99.013837620      0.0218956799580
       30.550439817      0.0956504702950
        5.4537087661    -0.2945427018600
  3  0  0  2  1
        2.6503362563     1.3294381200000
        1.2726688867     0.6610939647300
  3  0  0  1  1
        0.3072409700     1.0000000000000
  3  0  0  1  1
        0.1202708300     1.0000000000000
  2  1  1  5  1
      472.27219248       0.0025710623052
      111.58882756       0.0202502979990
       35.445936418      0.0915807167870
       12.990776875      0.2574945401400
        5.0486221658     0.4286289975800
  3  1  1  1  1
        1.8889755200     1.0000000000000
  3  1  1  1  1
        0.4424064200     1.0000000000000
  3  1  1  1  1
        0.1573225300     1.0000000000000
  3  2  2  1  1
        0.5061295000     1.0000000000000
#
S  pob-TZVP-rev2
 10
  1  0  0  7  1
    60700.928104          0.00054695944225
     9102.6106854         0.00422972245570
     2071.4166009         0.02174782415900
      586.02476821        0.08510005358900
      190.55395021        0.24799128459000
       67.630384260       0.46703640406000
       25.127306905       0.36434587550000
  2  0  0  3  1
      112.57463010        0.02167004024000
       34.795554217       0.09360230176000
        6.5115556215     -0.26068001422000
  3  0  0  2  1
        3.2399032261      1.28420894350000
        1.5477160881      0.66036416584000
  3  0  0  1  1
        0.4487335200      1.00000000000000
  3  0  0  1  1
        0.1553457200      1.00000000000000
  2  1  1  5  1
      564.36716027        0.00247967963170
      133.42624379        0.01967793025000
       42.468271189       0.08998000825800
       15.616527580       0.25705880575000
        6.1093988469      0.43515167292000
  3  1  1  1  1
        2.0359436000      1.00000000000000
  3  1  1  1  1
        0.4337928300      1.00000000000000
  3  1  1  1  1
        0.1305009100      1.00000000000000
  3  2  2  1  1
        0.4107010100      1.0000000000000
#
Cl pob-TZVP-rev2
 10
  1  0  0  7  1
    69507.990945          0.00054314897497
    10426.156880          0.00419904639610
     2373.2334061         0.02159214167900
      671.56420071        0.08459885009400
      218.41999790        0.24757249724000
       77.572249714       0.47016930228000
       28.888815277       0.37436370716000
  2  0  0  3  1
      127.10527185        0.02518216660300
       39.339582961       0.10786112456000
        7.6740679989     -0.27408821574000
  3  0  0  2  1
        3.8745627630      1.32138750140000
        1.8385832573      0.68636955368000
  3  0  0  1  1
        0.4498594500      1.00000000000000
  3  0  0  1  1
        0.1363703100      1.00000000000000
  2  1  1  5  1
      666.50423284        0.00236326638360
      157.64241690        0.01887930037400
       50.262520978       0.08720634127300
       18.536078105       0.25285612970000
        7.2940532777      0.43507154820000
  3  1  1  1  1
        2.80149164000     1.00000000000000
  3  1  1  1  1
        0.78964278000     1.00000000000000
  3  1  1  1  1
        0.21056105000     1.00000000000000
  3  2  2  1  1
        0.23728440000     1.00000000000000
#
K  pob-TZVP-rev2
 11
  1  0  0  8  1
   153976.183250          0.00023662636107
    23082.4976720         0.00183429291370
     5253.23447450        0.00953105277690
     1486.95501330        0.03863840698000
      484.063337260       0.12480768502000
      173.566539800       0.29278861009000
       67.1163814640      0.40633425860000
       26.3395020540      0.20077215860000
  2  0  0  4  1
      172.876935670      -0.02420096093600
       53.0586490630     -0.11553095040000
        7.92127539640     0.57455545175000
        3.21088804720     0.57023185107000
  3  0  0  2  1
        4.56620708950    -0.22615763466000
        0.70209907282     0.75528392045000
  4  0  0  1  1
        0.91009660000     1.00000000000000
  4  0  0  1  1
        0.31839021000     1.00000000000000
  4  0  0  1  1
        0.12000178000     1.00000000000000
  2  1  1  6  1
      728.184498730       0.00261506897920
      172.132650610       0.02067363083500
       54.8298470750      0.09320560387000
       20.1662664940      0.25436518210000
        7.86107288060     0.39131132810000
        3.11052131320     0.22481345943000
  3  1  1  3  1
       11.7573374920     -0.02577728921700
        1.51396174110     0.57359428604000
        0.58328591795     1.07983200020000
  3  1  1  1  1
        0.31652437000     1.00000000000000
  3  1  1  1  1
        0.12001438000     1.00000000000000
  3  2  2  1  1
        0.22518836000     1.00000000000000
#
Ca pob-TZVP-rev2
 11
  1  0  0  8  1
   172517.326850          0.00023317502546
    25861.5192750         0.00180765219800
     5885.66186680        0.00939438442550
     1665.97300310        0.03810840900900
      542.367181480       0.12331203853000
      194.578034920       0.29004470954000
       75.3035976360      0.40587151157000
       29.5740625890      0.20398410743000
  2  0  0  4  1
      191.200746600      -0.02441975975900
       58.8402998830     -0.11547027448000
        8.96425408450     0.56356636717000
        3.68569605410     0.56709682704000
  3  0  0  2  1
        5.24642897260    -0.22825334325000
        1.34862621528     0.72625219172000
  4  0  0  1  1
        0.70710626000     1.00000000000000
  4  0  0  1  1
        0.30027232000     1.00000000000000
  4  0  0  1  1
        0.14014616000     1.00000000000000
  2  1  1  6  1
      836.972620580       0.00252583460920
      197.930401420       0.02007650668600
       63.1355580540      0.09130298736600
       23.2826871700      0.25247029915000
        9.11764449320     0.39426326344000
        3.63361201390     0.23011559492000
  3  1  1  3  1
       13.4941631200     -0.02649502195100
        1.81392597900     0.55088108210000
        0.71981826006     1.02806166200000
  3  1  1  1  1
        0.36108303000     1.00000000000000
  3  1  1  1  1
        0.15029529000     1.00000000000000
  3  2  2  1  1
        0.98864471000     1.00000000000000
#
Sc pob-TZVP-rev2
 14
  1  0  0  8  1
   191612.918740          0.00023076475942
    28723.8503630         0.00178903299460
     6537.01164900        0.00929904011400
     1850.30971710        0.03773943801100
      602.388551560       0.12227148359000
      216.173247660       0.28814821470000
       83.7125178800      0.40517543099000
       32.9087071890      0.20566019623000
  2  0  0  4  1
      211.343932340      -0.02452799146200
       65.1289201390     -0.11570158142000
       10.0343115350      0.55995283317000
        4.15968845970     0.56087765073000
  3  0  0  2  1
        6.00090416130    -0.22840494325000
        0.98255784150     0.71948970378000
  4  0  0  1  1
        1.02204508000     1.00000000000000
  4  0  0  1  1
        0.41466167000     1.00000000000000
  4  0  0  1  1
        0.14961565000     1.00000000000000
  2  1  1  6  1
      947.341228230       0.00247372087440
      224.096997320       0.01974296706000
       71.5603348820      0.09035714754900
       26.4448244900      0.25201602503000
       10.3937982850      0.39675535929000
        4.16063045590     0.23208624517000
  3  1  1  3  1
       15.5657371350     -0.02712942397400
        2.11215448650     0.55109256629000
        0.84184709021     1.00906358060000
  3  1  1  1  1
        0.63537059000     1.00000000000000
  3  1  1  1  1
        0.31768530000     1.00000000000000
  3  2  2  4  1
       30.9893909930      0.01190283743100
        8.69054650690     0.06765585685000
        2.95202563370     0.21332539722000
        1.07619107450     0.38391075578000
  3  2  2  1  1
        0.31567614000     1.00000000000000
  3  2  2  1  1
        0.13383645000     1.00000000000000
  4  3  3  1  1
        0.34500000000     1.00000000000000
#
Ti pob-TZVP-rev2
 14
  1  0  0  8  1
   211575.690250          0.00023318151011
    31714.9450580         0.00180796908510
     7217.54765430        0.00939843113520
     2042.93942470        0.03815685361800
      665.128962080       0.12374757197000
      238.749422640       0.29208551143000
       92.5086910010      0.41226800855000
       36.4039192090      0.21090534061000
  2  0  0  4  1
      232.726246070      -0.02492014073800
       71.7912097110     -0.11746490087000
       11.1585346150      0.56503342318000
        4.65481354160     0.56211101812000
  3  0  0  2  1
        6.80346291740    -0.23011425503000
        1.12010764030     0.72103186735000
  4  0  0  1  1
        0.94504592000     1.00000000000000
  4  0  0  1  1
        0.43463883000     1.00000000000000
  4  0  0  1  1
        0.13154627700     1.00000000000000
  2  1  1  6  1
     1063.14747320        0.00246908393200
      251.565070610       0.01977334552300
       80.4085548540      0.09098797667200
       29.7681932690      0.25559900413000
       11.7368305560      0.40489386764000
        4.71423752300     0.23693402558000
  3  1  1  3  1
       17.7968037040     -0.02787863961500
        2.42726986800     0.55672914668000
        0.96823445537     1.00554473500000
  3  1  1  1  1
        0.83304386000     1.00000000000000
  3  1  1  1  1
        0.37056694000     1.00000000000000
  3  2  2  4  1
       37.7133847230      0.01151383509200
       10.6929311840      0.06724634399600
        3.67284469900     0.21484207775000
        1.35885903030     0.38890892779000
  3  2  2  1  1
        0.86367514000     1.00000000000000
  3  2  2  1  1
        0.33183757000     1.00000000000000
  4  3  3  1  1
        0.56200000000     1.00000000000000
#
V  pob-TZVP-rev2
 14
  1  0  0  8  1
   232340.65058           0.00023072410092
    34828.841170          0.00178881789620
     7926.5448691         0.00929924901310
     2243.7733046         0.03776146334700
      730.59322944        0.12255909662000
      262.32219631        0.28963508811000
      101.70403805        0.41004702955000
       40.064784617       0.21113610858000
  2  0  0  4  1
      255.24014968       -0.02445811633800
       78.804646961      -0.11527205366000
       12.340598946       0.55174749453000
        5.1742019219      0.54504528489000
  3  0  0  2  1
        7.6513894469     -0.22967638286000
        1.2639759898      0.71683769077000
  4  0  0  1  1
        1.1156891000      1.00000000000000
  4  0  0  1  1
        0.6157304500      1.00000000000000
  4  0  0  1  1
        0.1400025600      1.00000000000000
  2  1  1  6  1
     1184.2369151         0.00244498267290
      280.23075192        0.01964345446600
       89.643627137       0.09079694919000
       33.242411253       0.25650768222000
       13.144514452       0.40815393750000
        5.2948534140      0.23860378268000
  3  1  1  3  1
       20.175586851      -0.02824148902300
        2.7605865197      0.55574635619000
        1.1008900902      0.99319919270000
  3  1  1  1  1
        0.3953797600      1.00000000000000
  3  1  1  1  1
        0.1796191900      1.00000000000000
  3  2  2  4  1
       43.861134864       0.01148717423800
       12.516021891       0.06824715397700
        4.3313854957      0.21837784195000
        1.6138855773      0.39245212296000
  3  2  2  1  1
        0.8590593700      1.00000000000000
  3  2  2  1  1
        0.3043837300      1.00000000000000
  4  3  3  1  1
        0.8310000000      1.00000000000000
#
Cr pob-TZVP-rev2
 14
  1  0  0  8  1
   254477.80704           0.00023386945693
    38131.797054          0.00181426018000
     8675.2930607         0.00943639257210
     2455.0099848         0.03834363936700
      799.16217787        0.12459194837000
      286.90021489        0.29489696029000
      111.25413232        0.41846149607000
       43.864152636       0.21633763420000
  2  0  0  4  1
      279.32669173       -0.02345090811100
       86.274732376      -0.11080370027000
       13.555756113       0.53028965842000
        5.6978112751      0.51603516947000
  3  0  0  2  1
        8.5636582615     -0.38109545675000
        1.3988296768      1.19915914360000
  4  0  0  1  1
        1.5142137900      1.00000000000000
  4  0  0  1  1
        0.5047379300      1.00000000000000
  4  0  0  1  1
        0.1305787700      1.00000000000000
  2  1  1  6  1
     1306.4398864         0.00242773261850
      309.25311441        0.01954404101700
       98.996273963       0.09065179455300
       36.756916451       0.25699279154000
       14.566657077       0.40935504891000
        5.8739937432      0.23729388849000
  3  1  1  3  1
       22.890999695      -0.02816602661300
        3.0855001822      0.56034120148000
        1.2132329118      0.98119019650000
  3  1  1  1  1
        0.4593168100      1.00000000000000
  3  1  1  1  1
        0.2296584050      1.0000000000000
  3  2  2  4  1
       43.720074476       0.01362296402600
       12.391242652       0.07893518013300
        4.2639442006      0.23833840000000
        1.5525221790      0.39526851122000
  3  2  2  1  1
        0.8288617700      1.00000000000000
  3  2  2  1  1
        0.3172623600      1.00000000000000
  4  3  3  1  1
        1.1470000000      1.00000000000000
#
Mn pob-TZVP-rev2
 14
  1  0  0  8  1
   277185.00153           0.00022838385133
    41550.769890          0.00177076503750
     9455.9700152         0.00920772099940
     2676.5206482         0.03741597182500
      871.46687530        0.12164861426000
      312.98306420        0.28824392499000
      121.44454051        0.41041600847000
       47.922598829       0.21372375145000
  2  0  0  4  1
      303.66723163       -0.02458992614000
       93.881403187      -0.11602608038000
       14.879421214       0.55112059677000
        6.2865200745      0.53707560756000
  3  0  0  2  1
        9.4858591337     -0.22889262695000
        1.5698706158      0.71196169587000
  4  0  0  1  1
        1.3881832800      1.00000000000000
  4  0  0  1  1
        0.6599294200      1.00000000000000
  4  0  0  1  1
        0.1211885900      1.00000000000000
  2  1  1  6  1
     1444.7978182         0.0023994136455
      342.06551197        0.0193692868640
      109.58400891        0.0902361089880
       40.747988173       0.2574546785100
       16.188626566       0.4127235195800
        6.5484505964      0.2408770000700
  3  1  1  3  1
       25.357086437      -0.0287071740580
        3.4830168782      0.5520810071200
        1.3858800906      0.9722690137900
  3  1  1  1  1
        1.1854291400      1.0000000000000
  3  1  1  1  1
        0.5353715500      1.0000000000000
  3  2  2  4  1
       56.563189119       0.0115432452950
       16.278734711       0.0702998459870
        5.6964273914      0.2245077082100
        2.1411147942      0.3970306543400
  3  2  2  1  1
        0.7529196500      1.0000000000000
  3  2  2  1  1
        0.2283584800      1.0000000000000
  4  3  3  1  1
        1.3260000000      1.0000000000000
#
Fe pob-TZVP-rev2
 14
  1  0  0  8  1
   300784.84637           0.00022806273096
    45088.970557          0.00176817887610
    10262.516317          0.00919270834900
     2905.2897293         0.03735549580700
      946.11487137        0.12151108426000
      339.87832894        0.28818881468000
      131.94425588        0.41126612677000
       52.111494077       0.21518583573000
  2  0  0  4  1
      329.48839267       -0.02474521647700
      101.92332739       -0.11683089050000
       16.240462745       0.55293621136000
        6.8840675801      0.53601640182000
  3  0  0  2  1
       10.470693782      -0.22912708577000
        1.7360039648      0.71159319984000
  4  0  0  1  1
        1.2565166800      1.00000000000000
  4  0  0  1  1
        0.57548354        1.00000000000000
  4  0  0  1  1
        0.1558918100      1.00000000000000
  2  1  1  6  1
     1585.3959970         0.00237939601790
      375.38006499        0.01925315475500
      120.31816501        0.09002183653600
       44.788749031       0.25798172356000
       17.829278584       0.41492649744000
        7.2247153786      0.24207474784000
  3  1  1  3  1
       28.143219756      -0.02904175515200
        3.8743241412      0.55312260343000
        1.5410752281      0.96771136842000
  3  1  1  1  1
        0.6336590800      1.00000000000000
  3  1  1  1  1
        0.1999999900      1.00000000000000
  3  2  2  4  1
       61.996675034       0.01197197225500
       17.873732552       0.07321013541000
        6.2744782934      0.23103094314000
        2.3552337175      0.39910706494000
  3  2  2  1  1
        0.8417158200      1.00000000000000
  3  2  2  1  1
        0.2611100300      1.00000000000000
  4  3  3  1  1
        1.1980000000      1.00000000000000
#
Co pob-TZVP-rev2
 14
  1  0  0  8  1
   325817.01553           0.00022568462484
    48839.636453          0.00174993975330
    11114.937307          0.00910031340970
     3146.1603642         0.03699625683700
     1024.4378465         0.12044269621000
      368.02508816        0.28598731649000
      142.91229205        0.40908312004000
       56.482649209       0.21500145739000
  2  0  0  4  1
      356.40298318       -0.02476705967800
      110.31165215       -0.11702139134000
       17.659634834       0.55215522200000
        7.5059030479      0.53246877060000
  3  0  0  2  1
       11.501807176      -0.22942470077000
        1.9081994606      0.71180933514000
  4  0  0  1  1
        1.6083233500      1.00000000000000
  4  0  0  1  1
        0.7955677300      1.00000000000000
  4  0  0  1  1
        0.1556673700      1.00000000000000
  2  1  1  6  1
     1731.1369144         0.00239057676850
      409.91750438        0.01938299996700
      131.45648578        0.09090544850900
       48.987439714       0.26146681577000
       19.537078992       0.42157264570000
        7.9287281634      0.24571813557000
  3  1  1  3  1
       31.076017584      -0.02943806997300
        4.2835180697      0.55615568168000
        1.7022921563      0.96772195064000
  3  1  1  1  1
        1.1628100700      1.00000000000000
  3  1  1  1  1
        0.5018644100      1.00000000000000
  3  2  2  4  1
       68.140745239       0.01198384536000
       19.685241019       0.07368854047500
        6.9322128825      0.23085496779000
        2.6025125694      0.39281059225000
  3  2  2  1  1
        0.9207081800      1.00000000000000
  3  2  2  1  1
        0.2922317400      1.00000000000000
  4  3  3  1  1
        1.9030000000      1.00000000000000
#
Ni pob-TZVP-rev2
 14
  1  0  0  8  1
   351535.72935           0.00022529386884
    52695.809283          0.00174686162230
    11992.468293          0.00908499921360
     3394.5776689         0.03694074844700
     1105.3594585         0.12032819950000
      397.14677769        0.28596715057000
      154.27542974        0.40983020196000
       61.018723780       0.21620642851000
  2  0  0  4  1
      384.45559739       -0.02465127926800
      119.04879199       -0.11658505277000
       19.137012223       0.54864126676000
        8.1526718562      0.52640051122000
  3  0  0  2  1
       12.579408642      -0.22797884293000
        2.0870866081      0.70703738215000
  4  0  0  1  1
        1.8480296700      1.00000000000000
  4  0  0  1  1
        0.8773089010      1.00000000000000
  4  0  0  1  1
        0.1678735400      1.00000000000000
  2  1  1  6  1
     1883.0907486         0.00237482584430
      445.95155320        0.01928945717200
      143.08430815        0.09071821150700
       53.372920722       0.26181414117000
       21.321919357       0.42309149832000
        8.6643561994      0.24641686015000
  3  1  1  3  1
       34.144255211      -0.02967712916300
        4.7122455921      0.55616824096000
        1.8709231845      0.96357766460000
  3  1  1  1  1
        1.0453650800      1.00000000000000
  3  1  1  1  1
        0.4276468400      1.00000000000000
  3  2  2  4  1
       74.591603465       0.01207745467200
       21.590632752       0.07463726215400
        7.6246142580      0.23236775502000
        2.8632206762      0.39042651680000
  3  2  2  1  1
        1.0075942000      1.00000000000000
  3  2  2  1  1
        0.3167209900      1.00000000000000
  4  3  3  1  1
        2.1740000000      1.00000000000000
#
Cu pob-TZVP-rev2
 14
  1  0  0  8  1
   377518.79923           0.00022811766128
    56589.984311          0.00176880359310
    12878.711706          0.00919934602270
     3645.3752143         0.03741101643400
     1187.0072945         0.12189873737000
      426.46421902        0.28983900714000
      165.70660164        0.41531872174000
       65.598942707       0.21905799287000
  2  0  0  4  1
      414.41265811       -0.02468252505300
      128.32056039       -0.11716827406000
       20.622089750       0.55301315941000
        8.7821226045      0.52242718609000
  3  0  0  2  1
       13.741372006      -0.22736061821000
        2.2431246833      0.71761210873000
  4  0  0  1  1
        1.1152953200      1.00000000000000
  4  0  0  1  1
        0.4076476600      1.00000000000000
  4  0  0  1  1
        0.1768011100      1.00000000000000
  2  1  1  6  1
     2034.7596692         0.00235248222980
      481.90468106        0.01913407075100
      154.67482963        0.09017110527800
       57.740576969       0.26063284735000
       23.099052811       0.42093485770000
        9.3882478591      0.24344615121000
  3  1  1  3  1
       37.596171210      -0.02899109453000
        5.1240690810      0.54919083831000
        2.0119996085      0.93793330488000
  3  1  1  1  1
        1.4641814000      1.00000000000000
  3  1  1  1  1
        0.7320907000      1.00000000000000
  3  2  2  4  1
       74.129460637       0.01436321667600
       21.359842587       0.08662817709600
        7.4995240537      0.25631430541000
        2.7601394169      0.40374062368000
  3  2  2  1  1
        1.1592938300      1.00000000000000
  3  2  2  1  1
        0.4355722500      1.00000000000000
  4  3  3  1  1
        2.2330000000      1.00000000000000
#
Zn pob-TZVP-rev2
 14
  1  0  0  8  1
   405924.31028           0.00022442017483
    60846.955735          0.00174020866260
    13847.343092          0.00905133395650
     3919.6158551         0.03681734144500
     1276.3594167         0.12004850256000
      458.67254435        0.28576057621000
      178.28725246        0.41087462062000
       70.612192837       0.21816962456000
  2  0  0  4  1
      443.88077950       -0.02493427498400
      137.55875267       -0.11817955766000
       22.268083479       0.55367318468000
        9.5217310606      0.52628934936000
  3  0  0  2  1
       14.874114065      -0.22929955254000
        2.4647517612      0.71135484742000
  4  0  0  1  1
        1.0113272200      1.00000000000000
  4  0  0  1  1
        0.322980200       1.00000000000000
  4  0  0  1  1
        0.1516731100      1.00000000000000
  2  1  1  6  1
     2205.3508534         0.00233562404480
      522.35300699        0.01903102263400
      167.73055542        0.08995575867500
       62.670045373       0.26113248631000
       25.109749456       0.42348448173000
       10.225142681       0.24618926885000
  3  1  1  3  1
       40.713442521      -0.03002966759200
        5.6247090696      0.55575254864000
        2.2279949116      0.95581013442000
  3  1  1  1  1
        1.1601141800      1.00000000000000
  3  1  1  1  1
        0.2624550000      1.00000000000000
  3  2  2  4  1
       88.554315311       0.01272817001500
       25.721525557       0.07939449984300
        9.1278367624      0.24491506805000
        3.4312364064      0.40390526479000
  3  2  2  1  1
        1.1861283200      1.00000000000000
  3  2  2  1  1
        0.3308920600      1.00000000000000
  4  3  3  1  1
        2.6140000000      1.00000000000000
#
Ga pob-TZVP-rev2
 15
  1  0  0  8  1
   435548.66254           0.00023646329650
    65289.589031          0.00183352717760
    14858.784256          0.00953718630810
     4205.9734729         0.03880341246800
     1369.6416431         0.12661604848000
      492.30348905        0.30175310292000
      191.41923233        0.43543934218000
       75.840558665       0.23282363780000
  2  0  0  4  1
      474.30810613       -0.02674370795800
      147.10297560       -0.12654657542000
       23.982599435       0.58840346839000
       10.298230094       0.56324271589000
  3  0  0  2  1
       16.050381430      -0.24516439508000
        2.6988468784      0.74578049593000
  3  0  0  1  1
        1.1590064400      1.00000000000000
  4  0  0  1  1
        0.5763081300      1.00000000000000
  4  0  0  1  1
        0.1933825700      1.00000000000000
  2  1  1  6  1
     2432.0171070         0.00224340659280
      576.12049582        0.01834226533600
      185.11584354        0.08727969716700
       69.246572556       0.25684868351000
       27.818107777       0.42398378107000
       11.420229938       0.25701340043000
  3  1  1  3  1
       42.819661530      -0.01932651911900
        6.3885901000      0.31571386917000
        2.6698993326      0.57617792822000
  4  1  1  1  1
        1.0663932200      1.00000000000000
  4  1  1  1  1
        0.3641398200      1.00000000000000
  4  1  1  1  1
        0.1448217200      1.00000000000000
  3  2  2  5  1
      103.92331829        0.01146461365200
       30.371094389       0.07362574738300
       10.872078097       0.23505107382000
        4.1549137954      0.40318563513000
        1.5345659145      0.40824748152000
  3  2  2  1  1
        1.3915711500      1.00000000000000
  3  2  2  1  1
        0.6852028800      1.00000000000000
  3  2  2  1  1
        0.2830723400      1.00000000000000
#
Ge pob-TZVP-rev2
 15
  1  0  0  8  1
   466115.00592          0.0002248726466
    69875.420762         0.0017435426729
    15903.276716         0.0090691482206
     4501.8233453        0.0369061746850
     1466.0570924        0.1205016790700
      527.07841728       0.2874864170300
      205.00395074       0.4162232188500
       81.251596065      0.2239784569500
  2  0  0  4  1
      505.74661282      -0.0251846092910
      156.96593744      -0.1189892972100
       25.761448176      0.5493013587000
       11.106654687      0.5293930912900
  3  0  0  2  1
       17.272059104     -0.2285459572800
        2.9438289048     0.6837793031700
  4  0  0  1  1
        1.4786569600     1.0000000000000
  4  0  0  1  1
        0.4368300500     1.0000000000000
  4  0  0  1  1
        0.1684150250     1.0000000000000
  2  1  1  6  1
     2633.9346241        0.0022143925310
      624.00161628       0.0181408991410
      200.58528404       0.0866321849220
       75.097081525      0.2564902059200
       30.214388474      0.4265861126200
       12.440087567      0.2620052731300
  3  1  1  3  1
       45.981316002     -0.0203217676780
        6.9945654416     0.3201374452700
        2.9686001327     0.5905101455500
  4  1  1  1  1
        1.2044364000     1.0000000000000
  4  1  1  1  1
        0.4237841000     1.0000000000000
  4  1  1  1  1
        0.1518920500     1.0000000000000
  3  2  2  5  1
      119.44887581       0.0105865445210
       35.062915293      0.0696012809450
       12.636924529      0.2280703528700
        4.8888672922     0.4030106722000
        1.8453195392     0.4130484701500
  3  2  2  1  1
        1.5531065900     1.0000000000000
  3  2  2  1  1
        0.6401807200     1.0000000000000
  3  2  2  1  1
        0.2805796200     1.0000000000000
#
As pob-TZVP-rev2
 15
  1  0  0  8  1
   498032.42158           0.00022740196900
    74656.868743          0.00176328164130
    16990.960004          0.00917280403810
     4809.6200321         0.03733782934400
     1566.2887055         0.12199536117000
      563.21360499        0.29137475324000
      219.11179978        0.42326351479000
       86.866061030       0.22921464278000
  2  0  0  4  1
      538.19512479       -0.02525419729700
      167.14850224       -0.11915461115000
       27.605517159       0.54628495980000
       11.947858521       0.53001520976000
  3  0  0  2  1
       18.538023133      -0.23479188136000
        3.2018985739      0.69167053428000
  4  0  0  1  1
        1.7882833500      1.00000000000000
  4  0  0  1  1
        0.5960944500      1.00000000000000
  4  0  0  1  1
        0.2162856800      1.00000000000000
  2  1  1  6  1
     2678.9421546         0.00233189552870
      634.61765840        0.01904214997700
      203.93967606        0.09022974491300
       76.323890369       0.26169037693000
       30.664124943       0.41857168155000
       12.505056732       0.23447830190000
  3  1  1  4  1
       49.256229549      -0.02123553987000
        7.7274891466      0.30470206668000
        3.5410493476      0.52888373107000
        1.6985585501      0.37272250955000
  4  1  1  1  1
        0.8684807100      1.00000000000000
  4  1  1  1  1
        0.4172966600      1.00000000000000
  4  1  1  1  1
        0.1470219000      1.00000000000000
  3  2  2  5  1
      135.33289305        0.00992911441060
       39.860212744       0.06656884349600
       14.446428359       0.22275768307000
        5.6432900356      0.40309224382000
        2.1668188623      0.41671667946000
  3  2  2  1  1
        1.8975050400      1.00000000000000
  3  2  2  1  1
        0.9487525200      1.00000000000000
  3  2  2  1  1
        0.4743762600      1.00000000000000
#
Se pob-TZVP-rev2
 15
  1  0  0  8  1
   531071.66696           0.00024108973168
    79603.044117          0.00186964314410
    18115.844240          0.00972716165360
     5127.8923194         0.03960479303100
     1669.9130839         0.12948855136000
      600.57534527        0.30959437289000
      233.70021247        0.45115769216000
       92.672443932       0.24579189033000
  2  0  0  4  1
      571.57513675       -0.02689570788100
      177.63686375       -0.12670989353000
       29.517767052       0.57699001719000
       12.824399795       0.56369075408000
  3  0  0  2  1
       19.848235841      -0.25132415534000
        3.4744018486      0.72905416980000
  4  0  0  1  1
        1.1988909800      1.00000000000000
  4  0  0  1  1
        0.5102537200      1.00000000000000
  4  0  0  1  1
        0.1500000000      1.00000000000000
  2  1  1  6  1
     2815.3500566         0.00255690268540
      666.92558298        0.02087402690100
      214.34213188        0.09877209625000
       80.246687942       0.28471821221000
       32.251081288       0.45003584934000
       13.106432562       0.24416091055000
  3  1  1  4  1
       53.366108516      -0.02155845627300
        8.1827777195      0.32662310638000
        3.6239945672      0.57740499319000
        1.6341591401      0.34301320826000
  4  1  1  1  1
        1.0841832000      1.00000000000000
  4  1  1  1  1
        0.4996626900      1.00000000000000
  4  1  1  1  1
        0.1500000000      1.00000000000000
  3  2  2  5  1
      151.82910279        0.00939702769880
       44.839992523       0.06408650399100
       16.328999510       0.21834238004000
        6.4305057612      0.40314789649000
        2.5048025169      0.41966491490000
  3  2  2  1  1
        1.1031689800      1.00000000000000
  3  2  2  1  1
        0.4307032000      1.00000000000000
  3  2  2  1  1
        0.21535160000     1.00000000000000
#
Br pob-TZVP-rev2
 15
  1  0  0  8  1
   565073.25256          0.0002366031469
    84701.723179         0.0018348332508
    19276.271900         0.0095465849860
     5456.4284576        0.0388771421530
     1776.9503500        0.1271831423100
      639.19398276       0.3043766219100
      248.78823961       0.4449094049700
       98.678305494      0.2438164305800
  2  0  0  4  1
      606.07824568      -0.0265271587090
      188.45598484      -0.1248458480900
       31.497144506      0.5646868355900
       13.736008320      0.5555526856400
  3  0  0  2  1
       21.203212766     -0.2494092049300
        3.7616420178     0.7121311974300
  4  0  0  1  1
        1.4940008700     1.0000000000000
  4  0  0  1  1
        0.5908622600     1.0000000000000
  4  0  0  1  1
        0.2454311300     1.0000000000000
  2  1  1  6  1
     3019.6955723        0.0024971049798
      715.35481126       0.0204192675960
      229.98328751       0.0968971483090
       86.167844615      0.2805390125200
       34.667870802      0.4460639047300
       14.113870307      0.2441007392300
  3  1  1  4  1
       57.085653082     -0.0218559507100
        8.8193845840     0.3270707532000
        3.9340302872     0.5785522952000
        1.7998830384     0.3357098769800
  4  1  1  1  1
        1.5874541800     1.0000000000000
  4  1  1  1  1
        0.4896365520     1.0000000000000
  4  1  1  1  1
        0.150040570      1.0000000000000
  3  2  2  5  1
      168.85370257       0.0089663981988
       49.977949919      0.0620620593160
       18.274913338      0.2147473238400
        7.2455694631     0.4033533674600
        2.8562315025     0.4220881308000
  3  2  2  1  1
        1.3111406400     1.0000000000000
  3  2  2  1  1
        0.5296930700     1.0000000000000
  3  2  2  1  1
        0.2543006900     1.0000000000000
#
Rb pob-TZVP-rev2 pob-TZVP-rev2-q9
  8
  1  0  0  2  1
        7.47446180400   0.269978663630
        6.72961805940  -0.426292518140
  2  0  0  1  1
        1.91033355000   1.000000000000
  2  0  0  1  1
        0.46047766000   1.000000000000
  2  0  0  1  1
        0.12311440000   1.000000000000
  2  1  1  4  1
        5.67206431940   0.048114224135
        3.33201839560  -0.184851314260
        0.80150054910   0.328118649540
        0.36302220227   0.486731654110
  2  1  1  1  1
        0.26042034000   1.000000000000
  2  1  1  1  1
        0.13898589000   1.000000000000
  3  2  2  1  1
        0.15913676000   1.000000000000
#
Sr pob-TZVP-rev2 pob-TZVP-rev2-q10
  8
  1  0  0  2  1
       10.0000000000   -0.185305502620
        8.50000000000   0.339703553760
  2  0  0  1  1
        2.84443739000   1.000000000000
  2  0  0  1  1
        0.42600116000   1.000000000000
  2  0  0  1  1
        0.12156848000   1.000000000000
  2  1  1  4  1
        7.58830778690   0.033731690287
        3.67313073920  -0.205231850050
        0.90496618455   0.492099726650
        0.43310256408   0.621052965120
  2  1  1  1  1
        0.30715943000   1.000000000000
  2  1  1  1  1
        0.16229703000   1.000000000000
  3  2  2  1  1
        0.37841885000   1.000000000000
#
Y  pob-TZVP-rev2 pob-TZVP-rev2-q11
 11
  1  0  0  2  1
       10.0000000000   -0.174876867960
        8.50000000000   0.341523450840
  1  0  0  1  1
        3.36996640000   1.000000000000
  1  0  0  1  1
        0.67918260000   1.000000000000
  1  0  0  1  1
        0.30191780000   1.000000000000
  2  1  1  4  1
        8.05540936160   0.036410978939
        4.01634587510  -0.208725725470
        1.02329154040   0.489569293350
        0.49843561636   0.606119438330
  2  1  1  1  1
        0.35648910000   1.000000000000
  2  1  1  1  1
        0.19193110000   1.000000000000
  3  2  2  3  1
        3.90308330600  -0.009820979262
        1.13632343020   0.191836296640
        0.45617043877   0.405977885390
  3  2  2  1  1
        0.32917530000   1.000000000000
  3  2  2  1  1
        0.13006830000   1.000000000000
  4  3  3  1  1
        0.65147450000   1.000000000000
#
Zr pob-TZVP-rev2 pob-TZVP-rev2-q12
 11
  1  0  0  2  1
       11.0000000000   -0.190755952570
        9.50000000000   0.338955887540
  2  0  0  1  1
        3.91891211000   1.000000000000
  2  0  0  1  1
        1.48625300000   1.000000000000
  2  0  0  1  1
        0.581428600000  1.000000000000
  2  1  1  4  1
        8.60663055430   0.040404260236
        4.44009799580  -0.211877452010
        1.12810269460   0.491642668910
        0.54346076310   0.573033706580
  2  1  1  1  1
        0.49792620000   1.000000000000
  2  1  1  1  1
        0.16451000000   1.000000000000
  3  2  2  3  1
        4.55679577950  -0.009619056902
        1.29049397970   0.205699901550
        0.51646987222   0.418313818510
  3  2  2  1  1
        0.38034710000   1.000000000000
  3  2  2  1  1
        0.16106300000   1.000000000000
  4  3  3  1  1
        0.34548200000   1.000000000000
#
Nb pob-TZVP-rev2 pob-TZVP-rev2-q13
 11
  1  0  0  2  1
       12.0000000000   -0.202195075300
       10.5000000000    0.336401059390
  2  0  0  1  1
        3.97281720000   1.000000000000
  2  0  0  1  1
        0.78973709000   1.000000000000
  2  0  0  1  1
        0.32754617000   1.000000000000
  2  1  1  4  1
        9.20562856460   0.043347689874
        4.86796321250  -0.213024792330
        1.24421557920   0.481021271360
        0.60390590312   0.539178589600
  2  1  1  1  1
        1.05781677000   1.000000000000
  2  1  1  1  1
        0.27033618000   1.000000000000
  3  2  2  3  1
        4.61709758670  -0.013574476955
        1.56634384800   0.203743104960
        0.66952425826   0.429974531050
  3  2  2  1  1
        0.43085068000   1.000000000000
  3  2  2  1  1
        0.21829131000   1.000000000000
  4  3  3  1  1
        0.52270000000   1.000000000000
#
Mo pob-TZVP-rev2 pob-TZVP-rev2-q14
 11
  1  0  0  2  1
       14.0000000000   -0.224900434060
       12.5000000000    0.331512485550
  2  0  0  1  1
        4.25053415000   1.000000000000
  2  0  0  1  1
        0.65151308000   1.000000000000
  2  0  0  1  1
        0.18122290000   1.000000000000
  2  1  1  4  1
        8.89311179150   0.069994449475
        5.46891122700  -0.235471418830
        1.35484730070   0.463154600070
        0.65494867461   0.488201847100
  2  1  1  1  1
        0.46348506000   1.000000000000
  2  1  1  1  1
        0.24987406000   1.000000000000
  3  2  2  3  1
        5.00444454970  -0.021587364862
        1.77368233240   0.209586800860
        0.76950591696   0.437308805990
  3  2  2  1  1
        0.56023361000   1.000000000000
  3  2  2  1  1
        0.20486424000   1.000000000000
  4  3  3  1  1
        0.55911598000   1.000000000000
#
Ru pob-TZVP-rev2 pob-TZVP-rev2-q16
 11
  1  0  0  2  1
       16.0000000000   -0.206340029190
       13.9105816940    0.335504377250
  2  0  0  1  1
        4.99907995000   1.000000000000
  2  0  0  1  1
        0.80110331000   1.000000000000
  2  0  0  1  1
        0.12159163000   1.000000000000
  2  1  1  4  1
       11.1872086710    0.053225073263
        6.24776887340  -0.227316620500
        1.62794728590   0.478694860560
        0.79326493538   0.502133115670
  2  1  1  1  1
        0.45221559000   1.000000000000
  2  1  1  1  1
        0.19888221000   1.000000000000
  3  2  2  3  1
        5.73418466190  -0.035266111560
        2.24836862940   0.218025022220
        0.98376978359   0.447095650130
  3  2  2  1  1
        0.39654230000   1.000000000000
  3  2  2  1  1
        0.20001560000   1.000000000000
  4  3  3  1  1
        0.67553182000   1.000000000000
#
Rh pob-TZVP-rev2 pob-TZVP-rev2-q17
 11
  1  0  0  2  1
       17.0000000000   -0.166908031390
       13.9105816940    0.342350016520
  2  0  0  1  1
        5.53521752000   1.000000000000
  2  0  0  1  1
        0.96962135000   1.000000000000
  2  0  0  1  1
        0.15055984000   1.000000000000
  2  1  1  4  1
       11.7671036310    0.059494859388
        6.74851330830  -0.237358534770
        1.75026798340   0.490193343030
        0.84321166133   0.506239337510
  2  1  1  1  1
        0.90997935000   1.000000000000
  2  1  1  1  1
        0.43661647000   1.000000000000
  3  2  2  4  1
       19.8578301360    0.006696077819
       10.0613781390   -0.021981738213
        2.26195464770   0.379187062360
        0.97098845035   0.672899765920
  3  2  2  1  1
        0.39040439000   1.000000000000
  3  2  2  1  1
        0.20178380000   1.000000000000
  4  3  3  1  1
        0.60333196000   1.000000000000
#
Pd pob-TZVP-rev2 pob-TZVP-rev2-q18
 11
  1  0  0  2  1
       18.000000000    -0.166053885980
       14.662134308     0.348999550550
  2  0  0  1  1
        5.4319418700    1.000000000000
  2  0  0  1  1
        1.2147866500    1.000000000000
  2  0  0  1  1
        0.1458883100    1.000000000000
  2  1  1  4  1
       12.552899300     0.061728998206
        7.2444496380   -0.241786267530
        1.8905941078    0.494532009150
        0.9073716876    0.504543626260
  2  1  1  1  1
        0.6800411300    1.000000000000
  2  1  1  1  1
        0.3528875400    1.000000000000
  3  2  2  4  1
       22.357457575     0.003955947955
       10.682526382    -0.014039011601
        2.4858232550    0.242194767760
        1.0735333903    0.425802832810
  3  2  2  1  1
        0.4174517400    1.000000000000
  3  2  2  1  1
        0.2000108200    1.000000000000
  4  3  3  1  1
        0.4031589900    1.000000000000
#
Ag pob-TZVP-rev2 pob-TZVP-rev2-q19
 11
  1  0  0  2  1
       19.0000000000   -0.166001041410
       15.4281999330    0.356650959180
  2  0  0  1  1
        6.51041165000   1.000000000000
  2  0  0  1  1
        1.15010024000   1.000000000000
  2  0  0  1  1
        0.15069126000   1.000000000000
  2  1  1  4  1
       13.1881801800    0.066928737147
        7.79527891380  -0.247352354090
        2.03515719120   0.491542802160
        0.98093914842   0.497416090060
  2  1  1  1  1
        0.38690507000   1.000000000000
  2  1  1  1  1
        0.12043653000   1.000000000000
  3  2  2  4  1
       25.7843973510    0.003564506308
       11.3966367550   -0.012984262784
        2.73455813610   0.241088265480
        1.18735836050   0.424123307440
  3  2  2  1  1
        0.41210766000   1.000000000000
  3  2  2  1  1
        0.19662803000   1.000000000000
  4  3  3  1  1
        0.46700165000   1.000000000000
#
Cd pob-TZVP-rev2 pob-TZVP-rev2-q20
 11
  1  0  0  2  1
       20.000000000    -0.174011969270
       16.309051661     0.371372771940
  2  0  0  1  1
        6.8390301300    1.000000000000
  2  0  0  1  1
        1.2775680000    1.000000000000
  2  0  0  1  1
        0.1414597900    1.000000000000
  2  1  1  4  1
       14.000681404     0.069333062793
        8.3094019872   -0.254201036810
        2.2020058122    0.492009803680
        1.0779246137    0.497021181310
  2  1  1  1  1
        0.4868044300    1.000000000000
  2  1  1  1  1
        0.1392537500    1.000000000000
  3  2  2  4  1
       30.380789793     0.003254512384
       11.474551578    -0.014212074843
        3.0507394903    0.249617564360
        1.3622028524    0.449056351760
  3  2  2  1  1
        0.5382728300    1.000000000000
  3  2  2  1  1
        0.2030809300    1.000000000000
  4  3  3  1  1
        0.7676352500    1.000000000000
#
In pob-TZVP-rev2 pob-TZVP-rev2-q21
 12
  1  0  0  4  1
      847.79276774        0.00012432052471
       72.041054824       0.00236003676070
       41.061316522      -0.00855882994530
       12.407609713       0.62952032489000
  2  0  0  2  1
       11.640316941       1.55434292000000
        6.3695642727      0.67492488361000
  2  0  0  2  1
        2.3993232000      0.81602366100000
        1.0042563000      0.68397633900000
  2  0  0  1  1
        0.1493536000      1.00000000000000
  2  1  1  3  1
      268.28136685        0.00011542193636
       14.781553782       0.07777983029200
        8.8041476194     -0.28332389472000
  3  1  1  3  1
        2.3717277227      0.47896111744000
        1.1927065422      0.48293819961000
        0.5835281204      0.16843883728000
  3  1  1  1  1
        0.3123694000      1.00000000000000
  3  1  1  1  1
        0.1207702000      1.00000000000000
  3  2  2  6  1
       94.282575063       0.00043652729696
       19.716431102       0.63918753088000
       19.600106824      -0.64663115577000
        3.5643186737      0.21187579614000
        1.7017801400      0.42129321741000
        0.7645661553      0.38418127707000
  3  2  2  1  1
        0.5776793000      1.00000000000000
  3  2  2  1  1
        0.2839258000      1.00000000000000
  3  2  2  1  1
        0.1521716000      1.00000000000000
#
Sn pob-TZVP-rev2 pob-TZVP-rev2-q22
 12
  1  0  0  4  1
     1577.0715931       0.000170427677
      235.26601078      0.000814670573
       38.206330645    -0.003905790429
       13.097031765     0.532459223430
  2  0  0  2  1
       11.681492759     1.543528727500
        5.9647604361    0.764215100410
  2  0  0  2  1
        1.5864660300    0.648270000000
        0.7151408100    0.325330000000
  2  0  0  1  1
        0.1451275400    1.000000000000
  2  1  1  3  1
      221.55767496      0.000311251780
       21.084021433     0.031108097016
        8.7600138521   -0.275715609180
  3  1  1  3  1
        2.5912909722    0.459123286660
        1.3426801157    0.496828672170
        0.6773273582    0.189623778210
  3  1  1  1  1
        0.4186376200    1.000000000000
  3  1  1  1  1
        0.1482663100    1.000000000000
  3  2  2  6  1
      108.33210154      0.000465618533
       23.703936630     0.054063163067
       22.339843906    -0.058928768877
        4.0874834028    0.195885008960
        1.9737354146    0.423017991850
        0.9015825769    0.392527161760
  3  2  2  1  1
        0.6296582000    1.000000000000
  3  2  2  1  1
        0.3185426800    1.000000000000
  3  2  2  1  1
        0.1611010800    1.000000000000
#
Sb pob-TZVP-rev2 pob-TZVP-rev2-q23
 12
  1  0  0  4  1
     1612.41999330      0.000285403808
      238.844520970     0.001339377875
       23.9981188090   -0.049388154574
       15.1931242130    0.433922272540
  2  0  0  2  1
       11.7364097330    0.921255199650
        6.52597747940   0.792352802260
  2  0  0  2  1
        1.83896167000   0.662490890000
        0.78348739000   0.337509120000
  2  0  0  1  1
        0.18345132000   1.000000000000
  2  1  1  3  1
      215.683933540     0.000260518232
       16.3744790880    0.073728000195
        9.72162833450  -0.272300281280
  3  1  1  3  1
        2.79826431540   0.464726923740
        1.47110450330   0.503642420750
        0.75165385301   0.187066662940
  3  1  1  1  1
        0.37211239000   1.000000000000
  3  1  1  1  1
        0.12000672000   1.000000000000
  3  2  2  6  1
      115.903122530     0.000531409151
       30.4742337200    0.005941113917
       18.2284182390   -0.010563706947
        4.32914566460   0.203481773410
        2.12948184960   0.427483789280
        0.99682636692   0.385395608090
  3  2  2  1  1
        0.56589790000   1.000000000000
  3  2  2  1  1
        0.31224235000   1.000000000000
  3  2  2  1  1
        0.12000012000   1.000000000000
#
Te pob-TZVP-rev2 pob-TZVP-rev2-q24
 12
  1  0  0  5  1
     6213.20016500      0.000173920733
      920.896400170     0.001193358984
      199.280427080     0.003625655678
       24.7742330980   -0.059791033012
       14.8381991690    0.959432032630
  2  0  0  2  1
       12.2787619540    0.759424299360
        6.38078455320   0.353316895420
  2  0  0  2  1
        2.22117377000   0.599267000000
        1.07760434000   0.231420000000
  2  0  0  1  1
        0.18518007000   1.000000000000
  2  1  1  3  1
      204.294008520     0.000406054068
       18.2087593580    0.060255451613
        9.92110243020  -0.274916712770
  3  1  1  3  1
        3.14415286850   0.431548499740
        1.72208840310   0.554030791100
        0.89098945714   0.240873112270
  3  1  1  1  1
        0.50599144000   1.000000000000
  3  1  1  1  1
        0.15135485000   1.000000000000
  3  2  2  6  1
      121.510552490     0.000634906290
       32.9687943960    0.006181193632
       19.2498624510   -0.008892982522
        4.71984072540   0.201598847640
        2.34280614160   0.429760490130
        1.11353794120   0.382471267510
  3  2  2  1  1
        0.91220583000   1.000000000000
  3  2  2  1  1
        0.44722408000   1.000000000000
  3  2  2  1  1
        0.18628260000   1.000000000000
#
I  pob-TZVP-rev2 pob-TZVP-rev2-q25
 12
  1  0  0  5  1
     5899.5791533       0.000241882693
      898.54238765      0.001547404174
      200.37237912      0.004283668446
       31.418053840    -0.039417936275
       15.645987838     0.960866919920
  2  0  0  2  1
       11.815741857     0.759615240910
        6.4614458287    0.424955018350
  2  0  0  2  1
        2.2210057600    0.701255197000
        1.0420511800    0.298744803000
  2  0  0  1  1
        0.2321271300    1.000000000000
  2  1  1  3  1
      197.30030547      0.000739512269
       20.061411349     0.066168450008
        9.7631460485   -0.285546623480
  3  1  1  4  1
       12.984316904    -0.049096186164
        3.6199503008    0.389144324820
        2.0232273090    0.656108172620
        1.0367490559    0.318035516470
  3  1  1  1  1
        0.3995601300    1.000000000000
  3  1  1  1  1
        0.1221941700    1.000000000000
  3  2  2  6  1
      119.12671745      0.000825960396
       33.404240134     0.006837767577
       17.805918203    -0.010308158997
        4.8990510353    0.226704576580
        2.4516753106    0.441801139370
        1.1820693432    0.367754722250
  3  2  2  1  1
        1.0035336200    1.000000000000
  3  2  2  1  1
        0.5277932300    1.000000000000
  3  2  2  1  1
        0.2009869100    1.000000000000
#
Cs pob-TZVP-rev2 pob-TZVP-rev2-q9
  8
  1  0  0  3  1
        5.877811344300  0.128599949830
        4.363153828600 -0.346325697250
        1.804847515500  0.699306370510
  2  0  0  1  1
        0.666409630000  1.000000000000
  2  0  0  1  1
        0.300557260000  1.000000000000
  2  0  0  1  1
        0.150401350000  1.000000000000
  2  1  1  4  1
        4.275185615400  0.045723074174
        1.965666336000 -0.250199619760
        0.476891952120  0.556608500660
        0.215297495880  0.582185534060
  2  1  1  1  1
        0.301612360000  1.000000000000
  2  1  1  1  1
        0.150000770000  1.000000000000
  3  2  2  1  1
        0.159720620000  1.000000000000
#
Ba pob-TZVP-rev2 pob-TZVP-rev2-q10
  8
  1  0  0  2  1
        6.000000000000 -0.565871748380
        4.982208222600  0.975147685350
  2  0  0  1  1
        1.955486070000  1.000000000000
  2  0  0  1  1
        0.402650690000  1.000000000000
  2  0  0  1  1
        0.150342160000  1.000000000000
  2  1  1  4  1
        5.500000000000 -0.445863129980
        4.901793833600  0.677554798130
        2.614268506200 -0.460105549540
        0.479033949830  0.687496080210
  2  1  1  1  1
        0.368107090000  1.000000000000
  2  1  1  1  1
        0.160866000000  1.000000000000
  3  2  2  1  1
        0.261872980000  1.000000000000
#
Hf pob-TZVP-rev2 pob-TZVP-rev2-q12
 11
  1  0  0  4  1
       24.0000000000    0.193694486440
       16.0000000000   -3.506463078200
       14.4000000000    4.308258100000
       10.3045046670   -0.910458097420
  2  0  0  1  1
        3.44828252000   1.000000000000
  2  0  0  1  1
        0.96247078000   1.000000000000
  2  0  0  1  1
        0.39628742000   1.000000000000
  2  1  1  4  1
       17.0000000000   -0.030316491880
       11.7380720970    0.101392796860
        4.92039671610  -0.282279246570
        1.12517261380   0.520320085010
  2  1  1  1  1
        0.61894120000   1.000000000000
  2  1  1  1  1
        0.38553583000   1.000000000000
  3  2  2  3  1
        3.98206232290  -0.042446023944
        1.30779877720   0.184092325640
        0.53272310298   0.414844235160
  3  2  2  1  1
        1.13258482000   1.000000000000
  3  2  2  1  1
        0.18168857000   1.000000000000
  4  3  3  1  1
        0.31547000000   1.000000000000
#
Ta pob-TZVP-rev2 pob-TZVP-rev2-q13
 11
  1  0  0  4  1
       24.4736509440    0.205903224880
       18.7213725490   -0.746707955140
       11.5000000000    3.407136389700
       10.3500000000   -2.817548760900
  2  0  0  1  1
        3.54142726000   1.000000000000
  2  0  0  1  1
        1.04824462000   1.000000000000
  2  0  0  1  1
        0.42845553000   1.000000000000
  2  1  1  4  1
       17.0000000000   -0.032577305616
       12.0081865360    0.103362873650
        5.02787605830  -0.285265216960
        1.19371241840   0.517901411550
  2  1  1  1  1
        0.61019100000   1.000000000000
  2  1  1  1  1
        0.25240065000   1.000000000000
  3  2  2  3  1
        3.97387962780  -0.052799310714
        1.45288848130   0.185583194710
        0.61042908544   0.429590716310
  3  2  2  1  1
        0.30647046000   1.000000000000
  3  2  2  1  1
        0.15529436000   1.000000000000
  4  3  3  1  1
        0.57386000000   1.000000000000
#
W  pob-TZVP-rev2 pob-TZVP-rev2-q14
 11
  1  0  0  3  1
       30.0000000000    0.322464834100
       27.0000000000   -0.466922572140
       13.0780456840    0.426995637760
  2  0  0  1  1
        4.56489858000   1.000000000000
  2  0  0  1  1
        0.92909758000   1.000000000000
  2  0  0  1  1
        0.25943180000   1.000000000000
  2  1  1  4  1
       17.0000000000   -0.037817768433
       12.4319734320    0.109056738450
        5.15862176580  -0.293999550200
        1.28014548120   0.515607266970
  2  1  1  1  1
        0.69177050000   1.000000000000
  2  1  1  1  1
        0.35872359000   1.000000000000
  3  2  2  4  1
        7.40647373150   0.086993963018
        5.90262686030  -0.176675400110
        1.29847567500   0.551456970300
        0.57153508541   0.953135965350
  3  2  2  1  1
        0.39060699000   1.000000000000
  3  2  2  1  1
        0.22840914000   1.000000000000
  4  3  3  1  1
        0.43199000000   1.000000000000
#
Re pob-TZVP-rev2 pob-TZVP-rev2-q15
 11
  1  0  0  3  1
       30.0000000000    0.317807178110
       27.0000000000   -0.464923213320
       13.0780456840    0.457236413050
  2  0  0  1  1
        5.03527130000   1.000000000000
  2  0  0  1  1
        0.84827060000   1.000000000000
  2  0  0  1  1
        0.13708770000   1.000000000000
  2  1  1  4  1
       18.0000000000   -0.026890962397
       12.3186062500    0.099711498502
        5.37192345050  -0.292893981450
        1.35066467480   0.514663014340
  2  1  1  1  1
        0.70111920000   1.000000000000
  2  1  1  1  1
        0.29071390000   1.000000000000
  3  2  2  4  1
        7.73528776720   0.083901798556
        6.09494436100  -0.177222587340
        1.38711054970   0.552382596920
        0.62324027854   0.919801112390
  3  2  2  1  1
        0.38849660000   1.000000000000
  3  2  2  1  1
        0.20321100000   1.000000000000
  4  3  3  1  1
        0.52989000000   1.000000000000
#
Os pob-TZVP-rev2 pob-TZVP-rev2-q16
 11
  1  0  0  3  1
       30.0000000000    0.322130048040
       27.0000000000   -0.479229181370
       13.5247300050    0.474659468370
  2  0  0  1  1
        5.07180090000   1.000000000000
  2  0  0  1  1
        1.01689660000   1.000000000000
  2  0  0  1  1
        0.15681750000   1.000000000000
  2  1  1  4  1
       15.5000000000    0.160164633760
       14.0000000000   -0.232015204020
        5.54582904200   0.297725872740
        1.41395022150  -0.542532381760
  2  1  1  1  1
        1.02881280000   1.000000000000
  2  1  1  1  1
        0.39942220000   1.000000000000
  3  2  2  4  1
        8.29450594870   0.069648222110
        6.30603974300  -0.164442296300
        1.48901091100   0.551545410330
        0.67315390607   0.884613702910
  3  2  2  1  1
        0.41898000000   1.000000000000
  3  2  2  1  1
        0.20060820000   1.000000000000
  4  3  3  1  1
        0.55065000000   1.000000000000
#
Ir pob-TZVP-rev2 pob-TZVP-rev2-q17
 11
  1  0  0  3  1
       30.0000000000    0.307979032280
       27.0000000000   -0.467263617810
       13.9619739110    0.471610031460
  2  0  0  1  1
        5.47856190000   1.000000000000
  2  0  0  1  1
        1.03410270000   1.000000000000
  2  0  0  1  1
        0.15511300000   1.000000000000
  2  1  1  4  1
       15.9026641430   -0.162907200990
       14.4158306980    0.234832129870
        5.75976089910  -0.303053371760
        1.50089131080   0.555129820690
  2  1  1  1  1
        0.79499330000   1.000000000000
  2  1  1  1  1
        0.34430910000   1.000000000000
  3  2  2  4  1
        8.63216925040   0.075000099949
        6.58981923020  -0.173269651730
        1.58083796630   0.550651969130
        0.71827834905   0.852736414360
  3  2  2  1  1
        0.39656820000   1.000000000000
  3  2  2  1  1
        0.20217030000   1.000000000000
  4  3  3  1  1
        0.61008000000   1.000000000000
#
Pt pob-TZVP-rev2 pob-TZVP-rev2-q18
 11
  1  0  0  3  1
       30.0000000000    0.271482639000
       27.0000000000   -0.422267587740
       14.4083185640    0.443615819950
  2  0  0  1  1
        5.76260815000   1.000000000000
  2  0  0  1  1
        1.06835871000   1.000000000000
  2  0  0  1  1
        0.15368971000   1.000000000000
  2  1  1  4  1
       15.5000000000   -0.156727186290
       14.0000000000    0.238534129890
        6.11612123390  -0.310413797330
        1.57155863850   0.564735250890
  2  1  1  1  1
        0.77232013000   1.000000000000
  2  1  1  1  1
        0.25285881000   1.000000000000
  3  2  2  4  1
        8.32079376110   0.062945798646
        7.42072265200  -0.090271847072
        1.65704106390   0.168125264160
        0.73943569960   0.250454169700
  3  2  2  1  1
        1.12524984000   1.000000000000
  3  2  2  1  1
        0.27562365000   1.000000000000
  4  3  3  1  1
        0.56813000000   1.000000000000
#
Au pob-TZVP-rev2 pob-TZVP-rev2-q19
 11
  1  0  0  3  1
       30.0000000000    0.207492311080
       27.0000000000   -0.332678933940
       14.7468243310    0.383028179580
  2  0  0  1  1
        6.10568239000   1.000000000000
  2  0  0  1  1
        1.13068946000   1.000000000000
  2  0  0  1  1
        0.18001283000   1.000000000000
  2  1  1  4  1
       15.5000000000    0.150017118800
       14.0000000000   -0.236098131830
        6.42273682050   0.314588969480
        1.65956016810  -0.572796704460
  2  1  1  1  1
        0.87155106000   1.000000000000
  2  1  1  1  1
        0.20887895000   1.000000000000
  3  2  2  4  1
        9.55240986560   0.040145559502
        7.26988869370  -0.093690906606
        1.77464967890   0.317462823170
        0.79960541055   0.467951924830
  3  2  2  1  1
        0.55708019000   1.000000000000
  3  2  2  1  1
        0.28104926000   1.000000000000
  4  3  3  1  1
        0.72482000000   1.000000000000
#
Hg pob-TZVP-rev2 pob-TZVP-rev2-q20
 11
  1  0  0  3  1
       48.0137869900    0.005800816491
       21.2398750950   -0.173281652350
       15.8761008790    0.364166850340
  2  0  0  1  1
        5.75903016000   1.000000000000
  2  0  0  1  1
        1.09413075000   1.000000000000
  2  0  0  1  1
        0.15391724000   1.000000000000
  2  1  1  4  1
       17.5000000000   -0.086457187331
       15.2525948550    0.153273182340
        6.44047151690  -0.302749552490
        1.81801599200   0.543612850260
  2  1  1  1  1
        0.76252216000   1.000000000000
  2  1  1  1  1
        0.23979495000   1.000000000000
  3  2  2  4  1
       10.0281977010    0.039922353165
        7.59206614930  -0.094774230522
        1.91442561180   0.311641574630
        0.88641552102   0.455670784060
  3  2  2  1  1
        0.65496994000   1.000000000000
  3  2  2  1  1
        0.25845433000   1.000000000000
  4  3  3  1  1
        0.69569000000   1.000000000000
#
Tl pob-TZVP-rev2 pob-TZVP-rev2-q21
 12
  1  0  0  4  1
      729.650381450     0.000136728298
       46.6655487070    0.006044343995
       20.9704487260   -0.200220666970
       14.1495886770    0.408016784880
  2  0  0  2  1
       20.7301342850   -0.071861135918
        6.15276313090   0.980575084450
  2  0  0  2  1
        1.52213990000   0.757226530531
        0.60808142000   0.242773469468
  2  0  0  1  1
        0.19536816000   1.000000000000
  2  1  1  3  1
       15.3838526160    0.617179491800
       14.8149295440   -0.728592351510
        6.72612536580   0.404381953640
  3  1  1  3  1
        1.96261821490   0.431576611600
        1.03318578510   0.392304038530
        0.53837445996   0.140074068200
  3  1  1  1  1
        0.51586349000   1.000000000000
  3  1  1  1  1
        0.15756134000   1.000000000000
  3  2  2  6  1
       57.6068199280    0.000160548111
        9.73688666670   0.024456562496
        6.92562016790  -0.069914775031
        2.13962307310   0.194962694900
        1.08361871100   0.297316297050
        0.52356298209   0.237287081020
  3  2  2  1  1
        0.99500000000   1.000000000000
  3  2  2  1  1
        0.30021654000   1.000000000000
  3  2  2  1  1
        0.15000166000   1.000000000000
#
Pb pob-TZVP-rev2 pob-TZVP-rev2-q22
 12
  1  0  0  4  1
      591.611243700     0.000221265211
       46.7572325590    0.005696195913
       20.7464626960   -0.213740638310
       14.6107964190    0.405026206160
  2  0  0  2  1
       20.2226376120   -0.083541883299
        6.47673248650   0.979108923880
  2  0  0  2  1
        1.79457548000   0.585086349000
        0.96331994000   0.414913651000
  2  0  0  1  1
        0.18390382000   1.000000000000
  2  1  1  3  1
       15.1891021180    0.619523035830
       14.6931444150   -0.724984970860
        6.87058900480   0.376800079840
  3  1  1  3  1
        2.20214261230   0.401962848060
        1.22091251190   0.460581318620
        0.63367559815   0.193676553970
  3  1  1  1  1
        0.37699185000   1.000000000000
  3  1  1  1  1
        0.15000232000   1.000000000000
  3  2  2  6  1
       61.3153696280    0.000338708008
       12.3721958400    0.013788683942
        6.92549449830  -0.075979608103
        2.33195399390   0.281137842980
        1.21087300030   0.444745122690
        0.60090478506   0.353268743510
  3  2  2  1  1
        1.46521682000   1.000000000000
  3  2  2  1  1
        0.27112992000   1.000000000000
  3  2  2  1  1
        0.15026464000   1.000000000000
#
Bi pob-TZVP-rev2 pob-TZVP-rev2-q23
 12
  1  0  0  4  1
      716.414353100     0.000312543071
       83.8060590470    0.001762476895
       21.1169628530   -0.219109834370
       15.4914481870    0.404112249310
  2  0  0  2  1
       23.2398550290   -0.068255758685
        6.64742550000   0.978880464710
  2  0  0  2  1
        1.96177440000   0.653863290000
        0.97252866000   0.346136700000
  2  0  0  1  1
        0.20618896000   1.000000000000
  2  1  1  3  1
       15.2496446690    0.745603560000
       14.8461760530   -0.855786373380
        7.06368267840   0.401491595920
  3  1  1  3  1
        2.58812556160   0.355427296330
        1.50202084990   0.639769918900
        0.76732724388   0.323327738390
  3  1  1  1  1
        0.42288904000   1.000000000000
  3  1  1  1  1
        0.17062087000   1.000000000000
  3  2  2  6  1
       66.4044819480    0.000381028783
       13.8584269610    0.010746152442
        7.06545190000  -0.071947646845
        2.52521440350   0.261959749890
        1.34195850000   0.425947500000
        0.68340941000   0.336803256270
  3  2  2  1  1
        0.90438000000   1.000000000000
  3  2  2  1  1
        0.41457000000   1.000000000000
  3  2  2  1  1
        0.15146817000   1.000000000000
#
Po pob-TZVP-rev2 pob-TZVP-rev2-q24
 12
  1  0  0  5  1
     6744.82117650      0.000076891556
      744.418925320     0.000712848274
      131.040293090     0.002205758396
       19.6620210300   -0.643647137440
       16.6230256090    0.919971505460
  2  0  0  2  1
       23.0940029650   -0.070404410177
        6.97073983810   0.978865400860
  2  0  0  2  1
        1.84973776000   0.675853246983
        0.93082999000   0.324146753017
  2  0  0  1  1
        0.26927938000   1.000000000000
  2  1  1  3  1
      253.990244970     0.000083876362
        9.87127187480   0.245727104580
        7.44898934960  -0.442977636610
  3  1  1  4  1
        8.90273954070  -0.137982504450
        5.74146674650   0.263040053260
        1.98963298230   0.662258461610
        0.94703210822   0.395470518920
  3  1  1  1  1
        0.35554706000   1.000000000000
  3  1  1  1  1
        0.15021472000   1.000000000000
  3  2  2  6  1
       67.9430770460    0.000489191253
       14.9142198940    0.010157120776
        7.29739483050  -0.069943263066
        2.68267844000   0.262447306800
        1.43741430090   0.427023614940
        0.73903797417   0.325024354770
  3  2  2  1  1
        0.66169712000   1.000000000000
  3  2  2  1  1
        0.34810921000   1.000000000000
  3  2  2  1  1
        0.15370703000   1.000000000000