File: BASIS_pob-TZVP

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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 = {http://dx.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