# all_value

name: Ahlrichs VTZ
description: VTZ Valence Triple Zeta: 3 Funct.'s/Valence AO
elt: Cr
data:
CHROMIUM
S   6
  1 296910.3817500              0.21631828095E-03      
  2  44503.2979810              0.16778892320E-02      
  3  10129.0837310              0.87367682069E-02      
  4   2869.8125395              0.35614011193E-01      
  5    939.52851828             0.11612081564    
  6    343.87667562             0.28429365944    
S   2
  1    136.27242081             0.39618804755    
  2     55.274935910            0.29934143453    
S   1
  1     13.753715065            1.0000000        
S   1
  1      5.8893064458           1.0000000        
S   1
  1      1.7366781917           1.0000000        
S   1
  1      0.67619018171          1.0000000        
S   1
  1      0.92187616038E-01            1.0000000        
S   1
  1      0.36120107071E-01            1.0000000        
P   3
  1   1608.8743670              0.19364463670E-02      
  2    381.42987006             0.15839007300E-01      
  3    123.01926841             0.75350154154E-01      
P   3
  1     46.446782128            0.23949451398    
  2     19.003494760            0.44099403119    
  3      8.0889965397           0.38019975560    
P   1
  1      3.3013703884           1.0000000        
P   1
  1      1.2877624138           1.0000000        
P   1
  1      0.46546844260          1.0000000        
D   3
  1     27.546733731            0.30633260432E-01      
  2      7.4647940726           0.15604065673    
  3      2.4327524296           0.37003057780    
D   1
  1      0.78187817732          1.0000000        
D   1
  1      0.21977377631          1.0000000        


name: Ahlrichs VTZ
description: VTZ Valence Triple Zeta: 3 Funct.'s/Valence AO
elt: Mn
data:
MANGANESE
S   6
  1 323081.7447500             -0.21859070020E-03      
  2  48425.9871470             -0.16955363594E-02      
  3  11021.9284210             -0.88290480374E-02      
  4   3122.8651683             -0.35993860594E-01      
  5   1022.5702211             -0.11736441426    
  6    374.56667732            -0.28725942760    
S   2
  1    148.65013953            -0.38025987789    
  2     60.379056785           -0.28945410868    
S   1
  1     15.061289037            1.0000000        
S   1
  1      6.4827687206           1.0000000        
S   1
  1      1.9535131494           1.0000000        
S   1
  1      0.77017850250          1.0000000        
S   1
  1      0.10192025361          1.0000000        
S   1
  1      0.38619748377E-01            1.0000000        
P   3
  1   1777.8786824             -0.19331617534E-02      
  2    421.57754180            -0.15844007165E-01      
  3    136.11333999            -0.75568981168E-01      
P   3
  1     51.506778634           -0.23597435106    
  2     21.153225441           -0.43718791573    
  3      9.0477144185          -0.38024192504    
P   1
  1      3.7308563614           1.0000000        
P   1
  1      1.4705331536           1.0000000        
P   1
  1      0.54391840977          1.0000000        
D   3
  1     35.424816646            0.28270751938E-01      
  2      9.7813282131           0.15071665458    
  3      3.2670712909           0.38158552024    
D   1
  1      1.1028271910           1.0000000        
D   1
  1      0.33748086571          1.0000000        


name: Ahlrichs VTZ
description: VTZ Valence Triple Zeta: 3 Funct.'s/Valence AO
elt: Fe
data:
IRON
S   6
  1 350644.1260700              0.21930425610E-03      
  2  52557.1044770              0.17010935336E-02      
  3  11962.1576030              0.88585173662E-02      
  4   3389.2987902              0.36119369310E-01      
  5   1109.9409814              0.11780528034    
  6    406.75892124             0.28846626172    
S   2
  1    161.55419196             0.38162019329    
  2     65.675211180            0.29212575148    
S   1
  1     16.425713224            1.0000000        
S   1
  1      7.0930281780           1.0000000        
S   1
  1      2.1594285091           1.0000000        
S   1
  1      0.84771349067          1.0000000        
S   1
  1      0.11079496206          1.0000000        
S   1
  1      0.41316804349E-01            1.0000000        
P   3
  1   1953.6045319              0.19381610539E-02      
  2    463.29314066             0.15916196664E-01      
  3    149.67493331             0.76149150478E-01      
P   3
  1     56.707112031            0.23624430461    
  2     23.341028866            0.43978884628    
  3     10.011393164            0.38362585555    
P   1
  1      4.1564019580           1.0000000        
P   1
  1      1.6369582567           1.0000000        
P   1
  1      0.60376297473          1.0000000        
D   3
  1     38.966442392            0.2788406771E-01 
  2     10.798970877            0.1486313493     
  3      3.6129748398           0.3691295870     
D   1
  1      1.2130285825           1.0000000        
D   1
  1      0.36523978460          1.0000000        


name: Ahlrichs VTZ
description: VTZ Valence Triple Zeta: 3 Funct.'s/Valence AO
elt: Co
data:
COBALT
S   6
  1 379411.7746100             -0.21547910180E-03      
  2  56868.9343960             -0.16714437766E-02      
  3  12943.6084620             -0.87044472982E-02      
  4   3667.4532601             -0.35496174518E-01      
  5   1201.1404591             -0.11581023244    
  6    440.33919478            -0.28374608041    
S   2
  1    175.00035297            -0.38404172517    
  2     71.190981549           -0.29545416341    
S   1
  1     17.849007924            1.0000000        
S   1
  1      7.7276070252           1.0000000        
S   1
  1      2.3708060829           1.0000000        
S   1
  1      0.92628271613          1.0000000        
S   1
  1      0.11908620529          1.0000000        
S   1
  1      0.43782392241E-01            1.0000000        
P   3
  1   2137.6007768             -0.19057939757E-02      
  2    506.97292174            -0.15678387875E-01      
  3    163.87524881            -0.75229629993E-01      
P   3
  1     62.151898991           -0.23369231380    
  2     25.632331435           -0.43693103212    
  3     11.020739027           -0.38210863080    
P   1
  1      4.6024341479           1.0000000        
P   1
  1      1.8102832176           1.0000000        
P   1
  1      0.66569223705          1.0000000        
D   3
  1     42.924372777            0.29754871320E-01      
  2     11.940809601            0.15885714484    
  3      4.0037210467           0.38970617758    
D   1
  1      1.3412566852           1.0000000        
D   1
  1      0.40011241880          1.0000000        


name: Ahlrichs VTZ
description: VTZ Valence Triple Zeta: 3 Funct.'s/Valence AO
elt: Ni
data:
NICKEL
S   6
  1 409347.8689900              0.21251775671E-03      
  2  61355.8392550              0.16484929893E-02      
  3  13964.8581280              0.85853287121E-02      
  4   3956.8598699              0.35015333983E-01      
  5   1296.0290474              0.11427672717    
  6    475.27876516             0.28015249519    
S   2
  1    188.98838775             0.39246284244    
  2     76.928736976            0.30331302178    
S   1
  1     19.331828730            1.0000000        
S   1
  1      8.3876399732           1.0000000        
S   1
  1      2.5894342897           1.0000000        
S   1
  1      1.0071374699           1.0000000        
S   1
  1      0.12732573122          1.0000000        
S   1
  1      0.46189806319E-01            1.0000000        
P   3
  1   2329.8384386             -0.18414189988E-02      
  2    552.60693015            -0.15173689070E-01      
  3    178.71193584            -0.73004669649E-01      
P   3
  1     67.841750813           -0.23224844852    
  2     28.028033533           -0.43596047040    
  3     12.076469199           -0.38213785733    
P   1
  1      5.0694186684           1.0000000        
P   1
  1      1.9911895236           1.0000000        
P   1
  1      0.73006887823          1.0000000        
D   3
  1     47.088303645            0.31522580302E-01      
  2     13.144067226            0.16855325691    
  3      4.4158589541           0.40930004652    
D   1
  1      1.4769996640           1.0000000        
D   1
  1      0.43728964755          1.0000000        


name: Ahlrichs VTZ
description: VTZ Valence Triple Zeta: 3 Funct.'s/Valence AO
elt: Cu
data:
COPPER
S   6
  1 441087.2507000             -0.21814173104E-03      
  2  66112.0211870             -0.16921935882E-02      
  3  15047.0114250             -0.88137131631E-02      
  4   4263.4273084             -0.35954659517E-01      
  5   1396.3815797             -0.11742970473    
  6    511.96055788            -0.28844267427    
S   2
  1    203.45426948            -0.42678898925    
  2     82.792337027           -0.33044128545    
S   1
  1     20.854285634            1.0000000        
S   1
  1      9.0410679584           1.0000000        
S   1
  1      2.7518135173           1.0000000        
S   1
  1      1.0434856515           1.0000000        
S   1
  1      0.11172292442          1.0000000        
S   1
  1      0.41041020330E-01            1.0000000        
P   3
  1   2530.0965671              0.19137941259E-02      
  2    600.09792954             0.15797670964E-01      
  3    194.08204479             0.76271259615E-01      
P   3
  1     73.671821377            0.23881452309    
  2     30.447369690            0.44980015897    
  3     13.122714875            0.39337682391    
P   1
  1      5.5214839972           1.0000000        
P   1
  1      2.1457922130           1.0000000        
P   1
  1      0.76797488702          1.0000000        
D   3
  1     47.313743703            0.32399760431E-01      
  2     13.154688449            0.16822706530    
  3      4.3662885749           0.38494429603    
D   1
  1      1.4122065936           1.0000000        
D   1
  1      0.38840713001          1.0000000        


name: Ahlrichs VTZ
description: VTZ Valence Triple Zeta: 3 Funct.'s/Valence AO
elt: Zn
data:
ZINC
S   6
  1 472745.9416400             -0.21700994032E-03      
  2  70858.0994840             -0.16833756616E-02      
  3  16127.6397330             -0.87677495791E-02      
  4   4569.7614320             -0.35768760798E-01      
  5   1496.9765379             -0.11680698543    
  6    549.25646888            -0.28670653074    
S   2
  1    218.59011012            -0.42684317028    
  2     89.068823328           -0.33251989916    
S   1
  1     22.475751693            1.0000000        
S   1
  1      9.7836990852           1.0000000        
S   1
  1      3.0476097903           1.0000000        
S   1
  1      1.1751310173           1.0000000        
S   1
  1      0.14336738100          1.0000000        
S   1
  1      0.50761504256E-01            1.0000000        
P   3
  1   2738.9909849             -0.18709110259E-02      
  2    649.72995198            -0.15461531483E-01      
  3    210.29129074            -0.74752628792E-01      
P   3
  1     79.954360369           -0.23286955460    
  2     33.131290448           -0.44019359575    
  3     14.326395837           -0.38736391445    
P   1
  1      6.0658646628           1.0000000        
P   1
  1      2.3753719617           1.0000000        
P   1
  1      0.86596317258          1.0000000        
D   3
  1     56.079664803            0.29598233794E-01      
  2     15.748259098            0.15879184876    
  3      5.3098927689           0.37984178082    
D   1
  1      1.7734652510           1.0000000        
D   1
  1      0.51963233927          1.0000000        


name: Ahlrichs VTZ
description: VTZ Valence Triple Zeta: 3 Funct.'s/Valence AO
elt: Ga
data:
GALLIUM
S   6
  1 505335.6329600              0.20973735734E-03      
  2  75742.7838440              0.16269717355E-02      
  3  17239.4663050              0.84741210878E-02      
  4   4884.9379362              0.34571148247E-01      
  5   1600.5426736              0.11286665876    
  6    587.75692288             0.27673631539    
S   2
  1    234.30109797             0.38518444468    
  2     95.611618032            0.30199565005    
S   1
  1     24.169750218            1.0000000        
S   1
  1     10.570603407            1.0000000        
S   1
  1      3.3873246666           1.0000000        
S   1
  1      1.3329947879           1.0000000        
S   1
  1      0.19249282002          1.0000000        
S   1
  1      0.70551923431E-01            1.0000000        
P   3
  1   2971.6078970              0.15991735684E-02      
  2    705.19903787             0.13222475234E-01      
  3    228.76520451             0.63791572879E-01      
P   3
  1     87.456391077            0.21775082725    
  2     36.540231966            0.41394918898    
  3     15.974579723            0.37538235687    
P   1
  1      6.8870611525           1.0000000        
P   2
  1      2.8318589081           0.58552518446    
  2      1.1078009985           0.33671542689    
P   1
  1      0.23450858657          1.0000000        
P   1
  1      0.63626881249E-01            1.0000000        
D   4
  1     65.344641807            0.27378344748E-01      
  2     18.500577517            0.15105668772    
  3      6.3162058406           0.37491843310    
  4      2.1638832514           0.47510265366    
D   1
  1      0.66688378425          1.0000000        


name: Ahlrichs VTZ
description: VTZ Valence Triple Zeta: 3 Funct.'s/Valence AO
elt: Ge
data:
GERMANIUM
S   6
  1 538981.2085900             -0.21200860409E-03      
  2  80785.7689540             -0.16445989897E-02      
  3  18387.3215390             -0.85660702046E-02      
  4   5210.3369514             -0.34946370611E-01      
  5   1707.4890772             -0.11406152082    
  6    627.54854073            -0.27936327962    
S   2
  1    250.56696133            -0.39100943355    
  2    102.39333101            -0.30845092051    
S   1
  1     25.923923344            1.0000000        
S   1
  1     11.389081191            1.0000000        
S   1
  1      3.7472808901           1.0000000        
S   1
  1      1.5027733307           1.0000000        
S   1
  1      0.24441033890          1.0000000        
S   1
  1      0.91205393545E-01            1.0000000        
P   3
  1   3196.8571212              0.15092965988E-02      
  2    758.78574707             0.12488543624E-01      
  3    246.40186162             0.60253286742E-01      
P   3
  1     94.429089481            0.22636609656    
  2     39.602333266            0.43152371868    
  3     17.394023219            0.39496423014    
P   1
  1      7.5468872383           1.0000000        
P   2
  1      3.1497947773           0.59773652861    
  2      1.2651485767           0.34946772770    
P   1
  1      0.30024031728          1.0000000        
P   1
  1      0.87319187211E-01            1.0000000        
D   4
  1     74.776447903            0.25760221955E-01      
  2     21.307762727            0.14540991775    
  3      7.3452966023           0.37136367703    
  4      2.5656881541           0.48003150467    
D   1
  1      0.81988587339          1.0000000        


name: Ahlrichs VTZ
description: VTZ Valence Triple Zeta: 3 Funct.'s/Valence AO
elt: As
data:
ARSENIC
S   6
  1 573690.5114000             -0.21423470465E-03      
  2  85988.1834550             -0.16618749677E-02      
  3  19571.4742700             -0.86561820675E-02      
  4   5546.0309804             -0.35314044368E-01      
  5   1817.8361947             -0.11523139395    
  6    668.63675492            -0.28192647128    
S   2
  1    267.38795948            -0.39133530320    
  2    109.41335253            -0.31052652260    
S   1
  1     27.737766818            1.0000000        
S   1
  1     12.238528675            1.0000000        
S   1
  1      4.1265920360           1.0000000        
S   1
  1      1.6835020306           1.0000000        
S   1
  1      0.29954009858          1.0000000        
S   1
  1      0.11318866642          1.0000000        
P   3
  1   3425.0975358             -0.14737377532E-02      
  2    813.08797098            -0.12201465931E-01      
  3    264.28414769            -0.58857336717E-01      
P   3
  1    101.51263702            -0.20573148845    
  2     42.722350677           -0.39286343807    
  3     18.845113977           -0.36196397606    
P   1
  1      8.2254455309           1.0000000        
P   2
  1      3.4766363492          -0.59644553415    
  2      1.4285918301          -0.35023592364    
P   1
  1      0.37149795090          1.0000000        
P   1
  1      0.11244760708          1.0000000        
D   4
  1     84.442621644            0.24520468921E-01      
  2     24.188051726            0.14110224322    
  3      8.4037833603           0.36874385234    
  4      2.9811949434           0.48410290060    
D   1
  1      0.97923123794          1.0000000        


name: Ahlrichs VTZ
description: VTZ Valence Triple Zeta: 3 Funct.'s/Valence AO
elt: Se
data:
SELENIUM
S   6
  1 609461.5616500              0.20666334290E-03      
  2  91349.7284690              0.16031495925E-02      
  3  20791.8449100              0.83504137596E-02      
  4   5892.0009402              0.34066587387E-01      
  5   1931.5795523              0.11113199915    
  6    711.02173299             0.27160877452    
S   2
  1    284.76563000             0.40353358477    
  2    116.67280336             0.32201537581    
S   1
  1     29.611379847            1.0000000        
S   1
  1     13.118921596            1.0000000        
S   1
  1      4.5252274573           1.0000000        
S   1
  1      1.8747678530           1.0000000        
S   1
  1      0.35857737666          1.0000000        
S   1
  1      0.13617743845          1.0000000        
P   3
  1   3656.2658173              0.14714128997E-02      
  2    868.08211673             0.12188231954E-01      
  3    282.38879090             0.58780468899E-01      
P   3
  1    108.68249518             0.22385125713    
  2     45.880428373            0.42784037994    
  3     20.313633210            0.39569867976    
P   1
  1      8.9138677790           1.0000000        
P   2
  1      3.8029430087           0.58895017030    
  2      1.5911663461           0.34147004237    
P   1
  1      0.44755579009          1.0000000        
P   1
  1      0.13236319065          1.0000000        
D   4
  1     94.493793993            0.23490451687E-01      
  2     27.186508933            0.13749365615    
  3      9.5088741989           0.36646762776    
  4      3.4175441801           0.48752298742    
D   1
  1      1.1481458665           1.0000000        


name: Ahlrichs VTZ
description: VTZ Valence Triple Zeta: 3 Funct.'s/Valence AO
elt: Br
data:
BROMINE
S   6
  1 646312.4103900              0.20844173405E-03      
  2  96873.0389000              0.16169556764E-02      
  3  22048.9675740              0.84224934763E-02      
  4   6248.3557482              0.34360876797E-01      
  5   2048.7467977              0.11206361063    
  6    754.70826963             0.27360431084    
S   2
  1    302.69689103             0.40561279803    
  2    124.16866898             0.32541501049    
S   1
  1     31.544281070            1.0000000        
S   1
  1     14.029435981            1.0000000        
S   1
  1      4.9416679228           1.0000000        
S   1
  1      2.0756618020           1.0000000        
S   1
  1      0.42101474441          1.0000000        
S   1
  1      0.16058114367          1.0000000        
P   3
  1   3890.7181798              0.15119787124E-02      
  2    923.85869493             0.12529302998E-01      
  3    300.75537085             0.60405586937E-01      
P   3
  1    115.96376914             0.21102288964    
  2     49.093271078            0.40341288321    
  3     21.810392052            0.37386481043    
P   1
  1      9.6190135611           1.0000000        
P   2
  1      4.1341549028           0.59931625011    
  2      1.7549598851           0.33979400209    
P   1
  1      0.52801532318          1.0000000        
P   1
  1      0.15604837959          1.0000000        
D   4
  1    104.85732970             0.22649313036E-01      
  2     30.280080540            0.13456249533    
  3     10.651497127            0.36469674660    
  4      3.8705893430           0.49046476885    
D   1
  1      1.3242996938           1.0000000        


name: Ahlrichs VTZ
description: VTZ Valence Triple Zeta: 3 Funct.'s/Valence AO
elt: Kr
data:
KRYPTON
S   6
  1 684221.9970000              0.20938881047E-03      
  2 102555.2004300              0.16243059281E-02      
  3  23342.3937750              0.84608205581E-02      
  4   6615.0835507              0.34516931725E-01      
  5   2169.3438677              0.11254581180    
  6    799.69607957             0.27450858880    
S   2
  1    321.18212105             0.33928755318    
  2    131.90111670             0.27359932213    
S   1
  1     33.536473012            1.0000000        
S   1
  1     14.969888552            1.0000000        
S   1
  1      5.3755395083           1.0000000        
S   1
  1      2.2858479626           1.0000000        
S   1
  1      0.48690237132          1.0000000        
S   1
  1      0.18641011710          1.0000000        
P   3
  1   4128.6993199             -0.0015636044631  
  2    980.47534405            -0.012961443065   
  3    319.40135820            -0.062464453956   
P   3
  1    123.36181040            -0.21245676823    
  2     52.362318744           -0.40604315810    
  3     23.335425093           -0.37652208104    
P   1
  1     10.340745051            1.0000000        
P   2
  1      4.4694078019           0.55671930670    
  2      1.9177854904           0.30604453289    
P   1
  1      0.61259063615          1.0000000        
P   1
  1      0.18236405019          1.0000000        
D   4
  1    115.56236667             0.021944058194   
  2     33.477247149            0.13211460240    
  3     11.834799736            0.36327650298    
  4      4.3415492653           0.49302860092    
D   1
  1      1.5081356984           1.0000000        


name: B2 basis set for Zn
description: N/A
elt: Zn
data:
ZINC
S   6
  1 316336.0000000              0.0006494033039  
  2  48561.0000000              0.004911112485   
  3  11157.4000000              0.02518467188    
  4   3205.0100000              0.09870930219    
  5   1068.5800000              0.300491085      
  6    396.3940000              0.6600778707     
S   1
  1    159.8060000              1.0000000        
S   1
  1     68.58900000             1.0000000        
S   1
  1     23.70810000             1.0000000        
S   1
  1     10.03720000             1.0000000        
S   1
  1      2.810430000            1.0000000        
S   1
  1      1.069640000            1.0000000        
S   1
  1      0.146951000            1.0000000        
S   1
  1      0.051142000            1.0000000        
S   1
  1      0.0153430000           1.0000000        
P   5
  1   2213.180000000            0.003573790107   
  2    527.050000000            0.02852211875    
  3    172.293000000            0.1295976328     
  4     66.081400000            0.3663134859     
  5     27.686300000            0.5939311787     
P   1
  1     12.184100000            1.0000000        
P   1
  1      4.987960000            1.0000000        
P   1
  1      2.057910000            1.0000000        
P   1
  1      0.798609000            1.0000000        
P   1
  1      0.1624550000           1.0000000        
P   1
  1      0.0477690000           1.0000000        
D   3
  1     58.408400000            0.05696697377    
  2     16.449200000            0.3095914479     
  3      5.575700000            0.7624985047     
D   1
  1      1.884410000            1.0000000        
D   1
  1      0.5723050000           1.0000000        
D   1
  1      0.1620000000           1.0000000        
F   1
  1      1.6200000000           1.0000000        
F   1
  1      5.4000000000           1.0000000        
F   1
  1      0.4860000000           1.0000000        


name: Ahlrichs pVDZ
description: VDZP Valence Double Zeta + Polarization on All Atoms
elt: H
data:
HYDROGEN
S   3
  1     13.0107010              0.19682158E-01   
  2      1.9622572              0.13796524       
  3      0.44453796             0.47831935       
S   1
  1      0.12194962             1.0000000        
P   1
  1      0.8000000              1.0000000        


name: Ahlrichs pVDZ
description: VDZP Valence Double Zeta + Polarization on All Atoms
elt: He
data:
HELIUM
S   3
  1     38.354936737            0.23814288905E-01      
  2      5.7689081479           0.15490906777    
  3      1.2399407035           0.46998096633    
S   1
  1      0.29757815953          1.0000000        
P   1
  1      1.0000000              1.0000000        


name: Ahlrichs pVDZ
description: VDZP Valence Double Zeta + Polarization on All Atoms
elt: Li
data:
LITHIUM
S   5
  1    266.27785516             0.64920150325E-02      
  2     40.069783447            0.47747863215E-01      
  3      9.0559944389           0.20268796111    
  4      2.4503009051           0.48606574817    
  5      0.72209571855          0.43626977955    
S   1
  1      0.052810884721         1.0000000        
S   1
  1      0.020960948798         1.0000000        
P   1
  1      0.1700000              1.0000000        


name: Ahlrichs pVDZ
description: VDZP Valence Double Zeta + Polarization on All Atoms
elt: Be
data:
BERYLLIUM
S   5
  1    515.18616125             0.55615307983E-02      
  2     77.511037595            0.41190068062E-01      
  3     17.552481693            0.17913378108    
  4      4.8028940596           0.44736716455    
  5      1.4516214316           0.42009581920    
S   1
  1      0.13281633620          1.0000000        
S   1
  1      0.045837372213         1.0000000        
P   3
  1      3.6316917145          -0.029033998305   
  2      0.71695694366         -0.16877854032    
  3      0.19541932860         -0.51403419628    
P   1
  1      0.06051546589          1.0000000        


name: Ahlrichs pVDZ
description: VDZP Valence Double Zeta + Polarization on All Atoms
elt: B
data:
BORON
S   5
  1    839.31830086            -0.55929201074E-02      
  2    126.26464843            -0.41565520771E-01      
  3     28.620600763           -0.18299816983    
  4      7.8793722710          -0.46540391866    
  5      2.4088857172          -0.44173884791    
S   1
  1      0.25105109036          1.0000000        
S   1
  1      0.083648866069         1.0000000        
P   3
  1      6.0332223619          -0.35603672456E-01      
  2      1.2499157866          -0.19895775769    
  3      0.33871676350         -0.50850202618    
P   1
  1      0.096415632351         1.0000000        
D   1
  1      0.5000000              1.0000000        


name: Ahlrichs pVDZ
description: VDZP Valence Double Zeta + Polarization on All Atoms
elt: C
data:
CARBON
S   5
  1   1238.4016938              0.0054568832082  
  2    186.29004992             0.0406384092110  
  3     42.251176346            0.18025593888    
  4     11.676557932            0.46315121755    
  5      3.5930506482           0.44087173314    
S   1
  1      0.40245147363          1.0000000        
S   1
  1      0.13090182668          1.0000000        
P   3
  1      9.4680970621           0.038387871728   
  2      2.0103545142           0.21117025112    
  3      0.54771004707          0.51328172114    
P   1
  1      0.15268613795          1.0000000        
D   1
  1      0.8000000              1.0000000        


name: Ahlrichs pVDZ
description: VDZP Valence Double Zeta + Polarization on All Atoms
elt: N
data:
NITROGEN
S   5
  1   1712.8415853             -0.53934125305E-02      
  2    257.64812677            -0.40221581118E-01      
  3     58.458245853           -0.17931144990    
  4     16.198367905           -0.46376317823    
  5      5.0052600809          -0.44171422662    
S   1
  1      0.58731856571          1.0000000        
S   1
  1      0.18764592253          1.0000000        
P   3
  1     13.571470233           -0.40072398852E-01      
  2      2.9257372874          -0.21807045028    
  3      0.79927750754         -0.51294466049    
P   1
  1      0.21954348034          1.0000000        
D   1
  1      1.0000000              1.0000000        


name: Ahlrichs pVDZ
description: VDZP Valence Double Zeta + Polarization on All Atoms
elt: O
data:
OXYGEN
S   5
  1   2266.1767785             -0.53431809926E-02      
  2    340.87010191            -0.39890039230E-01      
  3     77.363135167           -0.17853911985    
  4     21.479644940           -0.46427684959    
  5      6.6589433124          -0.44309745172    
S   1
  1      0.80975975668          1.0000000        
S   1
  1      0.25530772234          1.0000000        
P   3
  1     17.721504317            0.43394573193E-01      
  2      3.8635505440           0.23094120765    
  3      1.0480920883           0.51375311064    
P   1
  1      0.27641544411          1.0000000        
D   1
  1      1.2000000              1.0000000        


name: Ahlrichs pVDZ
description: VDZP Valence Double Zeta + Polarization on All Atoms
elt: F
data:
FLUORINE
S   5
  1   2894.8325990             -0.53408255515E-02      
  2    435.41939120            -0.39904258866E-01      
  3     98.843328866           -0.17912768038    
  4     27.485198001           -0.46758090825    
  5      8.5405498171          -0.44653131020    
S   1
  1      1.0654578038           1.0000000        
S   1
  1      0.33247346748          1.0000000        
P   3
  1     22.696633924           -0.45212874436E-01      
  2      4.9872339257          -0.23754317067    
  3      1.3491613954          -0.51287353587    
P   1
  1      0.34829881977          1.0000000        
D   1
  1      1.4000000              1.0000000        


name: Ahlrichs pVDZ
description: VDZP Valence Double Zeta + Polarization on All Atoms
elt: Ne
data:
NEON
S   5
  1   3598.9736625             -0.53259297003E-02      
  2    541.32073112            -0.39817417969E-01      
  3    122.90450062            -0.17914358188    
  4     34.216617022           -0.46893582977    
  5     10.650584124           -0.44782537577    
S   1
  1      1.3545953960           1.0000000        
S   1
  1      0.41919362639          1.0000000        
P   3
  1     28.424053785           -0.46031944795E-01      
  2      6.2822510953          -0.23993183041    
  3      1.6978715079          -0.50871724964    
P   1
  1      0.43300700172          1.0000000        
D   1
  1      1.8880000              1.0000000        


name: Ahlrichs pVDZ
description: VDZP Valence Double Zeta + Polarization on All Atoms
elt: Na
data:
SODIUM
S   5
  1   4098.2003908             -0.58535911879E-02      
  2    616.49374031            -0.43647161872E-01      
  3    139.96644001            -0.19431465884    
  4     39.073441051           -0.48685065731    
  5     11.929847205           -0.41881705137    
S   3
  1     20.659966030            0.85949689854E-01      
  2      1.9838860978          -0.56359144041    
  3      0.64836323942         -0.51954009048    
S   1
  1      0.52443967404E-01            1.0000000        
S   1
  1      0.28048160742E-01            1.0000000        
P   5
  1     75.401862017            0.154353625324E-01      
  2     17.274818978            0.997382931840E-01      
  3      5.1842347425           0.312095939659   
  4      1.6601211973           0.492956748074   
  5      0.51232528958          0.324203983180   
P   1
  1      0.0520000              1.0000000        


name: Ahlrichs pVDZ
description: VDZP Valence Double Zeta + Polarization on All Atoms
elt: Mg
data:
MAGNESIUM
S   5
  1   4953.8339196             -0.57778967498E-02      
  2    745.18044154            -0.43124761082E-01      
  3    169.21604972            -0.19268216987    
  4     47.300672019           -0.48641439116    
  5     14.461336973           -0.42550894077    
S   3
  1     24.768174789            0.87956969984E-01      
  2      2.4940945349          -0.55165058128    
  3      0.87807584533         -0.53443294833    
S   1
  1      0.87212782497E-01            1.0000000        
S   1
  1      0.33599293780E-01            1.0000000        
P   5
  1     98.053010494           -0.14480564601E-01      
  2     22.586932277           -0.95495750787E-01      
  3      6.8391509842          -0.30787672651    
  4      2.2332843818          -0.49936292886    
  5      0.71606599387         -0.31503476213    
P   1
  1      0.18914796195          1.0000000        


name: Ahlrichs pVDZ
description: VDZP Valence Double Zeta + Polarization on All Atoms
elt: Al
data:
ALUMINUM
S   5
  1   5887.5727030              0.13483347987E-02      
  2    885.61225996             0.10071576809E-01      
  3    201.13604899             0.45132454056E-01      
  4     56.284974674            0.11461268043    
  5     17.229551243            0.10159608943    
S   3
  1     29.340249922            0.69347454208E-01      
  2      3.0439630420          -0.42528117679    
  3      1.1285539518          -0.41449832210    
S   1
  1      0.14234175160          1.0000000        
S   1
  1      0.54400192313E-01            1.0000000        
P   5
  1    145.11918809             0.63963373134E-02      
  2     33.717894833            0.44189359965E-01      
  3     10.369863083            0.15581575993    
  4      3.5135616036           0.28635286951    
  5      1.1980050273           0.22921423248    
P   1
  1      0.26583005913          1.0000000        
P   1
  1      0.71003361994E-01            1.0000000        
D   1
  1      0.3000000              1.0000000        


name: Ahlrichs pVDZ
description: VDZP Valence Double Zeta + Polarization on All Atoms
elt: Si
data:
SILICON
S   5
  1   6903.7118686              0.13373962995E-02      
  2   1038.4346419              0.99966546241E-02      
  3    235.87581480             0.44910165101E-01      
  4     66.069385169            0.11463638540    
  5     20.247945761            0.10280063858    
S   3
  1     34.353481730            0.70837285010E-01      
  2      3.6370788192          -0.43028836252    
  3      1.4002048599          -0.41382774969    
S   1
  1      0.20484414805          1.0000000        
S   1
  1      0.77994095468E-01            1.0000000        
P   5
  1    179.83907373             0.61916656462E-02      
  2     41.907258846            0.43399431982E-01      
  3     12.955294367            0.15632019351    
  4      4.4383267393           0.29419996982    
  5      1.5462247904           0.23536823814    
P   1
  1      0.35607612302          1.0000000        
P   1
  1      0.10008513762          1.0000000        
D   1
  1      0.3500000              1.0000000        


name: Ahlrichs pVDZ
description: VDZP Valence Double Zeta + Polarization on All Atoms
elt: P
data:
PHOSPHOROUS
S   5
  1   8002.4795106              0.57503489302E-02      
  2   1203.6813590              0.43007628959E-01      
  3    273.44227031             0.19363986252    
  4     76.655541517            0.49651693399    
  5     23.516927435            0.44983262479    
S   3
  1     39.791683439            0.95188129789E-01      
  2      4.2770343323          -0.57649840368    
  3      1.6940256888          -0.54239583865    
S   1
  1      0.27567674644          1.0000000        
S   1
  1      0.10495590099          1.0000000        
P   5
  1    219.50755823             0.92100565257E-02      
  2     51.274155030            0.65409765745E-01      
  3     15.921595892            0.24033730279    
  4      5.5069913481           0.46318321788    
  5      1.9537719426           0.37392563382    
P   1
  1      0.47803397932          1.0000000        
P   1
  1      0.13657952621          1.0000000        
D   1
  1      0.4500000              1.0000000        


name: Ahlrichs pVDZ
description: VDZP Valence Double Zeta + Polarization on All Atoms
elt: S
data:
SULFUR
S   5
  1   9184.9303010             -0.22294387756E-02      
  2   1381.5105503             -0.16683029937E-01      
  3    313.87147580            -0.75262436116E-01      
  4     88.053870623           -0.19376827038    
  5     27.039914905           -0.17718020803    
S   3
  1     45.648731303           -0.10736062573    
  2      4.9664522326           0.65066293018    
  3      2.0116242047           0.59712155354    
S   1
  1      0.35661077013          1.0000000        
S   1
  1      0.13507221477          1.0000000        
P   5
  1    261.98233439            -0.92729929822E-02      
  2     61.306894736           -0.66547669241E-01      
  3     19.103729887           -0.24828595903    
  4      6.6567720378          -0.48703847402    
  5      2.3959635161          -0.39337850312    
P   1
  1      0.61776161679          1.0000000        
P   1
  1      0.16993376871          1.0000000        
D   1
  1      0.5500000              1.0000000        


name: Ahlrichs pVDZ
description: VDZP Valence Double Zeta + Polarization on All Atoms
elt: Cl
data:
CHLORINE
S   5
  1  10449.8275660              0.19708362484E-02      
  2   1571.7365221              0.14754727977E-01      
  3    357.12065523             0.66679112875E-01      
  4    100.25185935             0.17228924084    
  5     30.812727554            0.15883786100    
S   3
  1     51.923789434           -0.10009298909    
  2      5.7045760975           0.60841752753    
  3      2.3508376809           0.54352153355    
S   1
  1      0.44605124672          1.0000000        
S   1
  1      0.16848856190          1.0000000        
P   5
  1    307.66790569            -0.87801484118E-02      
  2     72.102015515           -0.63563355471E-01      
  3     22.532680262           -0.24016428276    
  4      7.8991765444          -0.47798866557    
  5      2.8767268321          -0.38515850005    
P   1
  1      0.77459363955          1.0000000        
P   1
  1      0.21037699698          1.0000000        
D   1
  1      0.6500000              1.0000000        


name: Ahlrichs pVDZ
description: VDZP Valence Double Zeta + Polarization on All Atoms
elt: Ar
data:
ARGON
S   5
  1  11797.1197650              0.0020214479973  
  2   1774.3522753              0.0151398526880  
  3    403.18875733             0.0685254008730  
  4    113.24933999             0.17762929207    
  5     34.835298193            0.16496495001    
S   3
  1     58.614775042           -0.10343394000    
  2      6.4922045078           0.63133365899    
  3      2.7117014403           0.54887572301    
S   1
  1      0.54412974538          1.0000000        
S   1
  1      0.20517411136          1.0000000        
P   5
  1    356.28707256            -0.87321783271E-02      
  2     83.593132866           -0.63680317444E-01      
  3     26.186704029           -0.24311906886    
  4      9.2257275925          -0.48956069653    
  5      3.3922754954          -0.39229190040    
P   1
  1      0.94740534010          1.0000000        
P   1
  1      0.25659135062          1.0000000        
D   1
  1      0.9690000              1.0000000        


name: Ahlrichs pVDZ
description: VDZP Valence Double Zeta + Polarization on All Atoms
elt: K
data:
POTASSIUM
S   6
  1  31478.7467640              0.39838653994E-02      
  2   4726.8876066              0.30501759762E-01      
  3   1075.4345353              0.15073752622    
  4    303.39811023             0.51912939801    
  5     98.327112831            1.0366957005     
  6     33.636222177            0.76398963199    
S   3
  1     65.639209962           -0.28242617106    
  2      7.3162592218           1.6914935860     
  3      2.8902580135           1.2965331953     
S   3
  1      4.5459748965          -0.76343555273E-02      
  2      0.70404124062          0.25635718960E-01      
  3      0.28266888959          0.16606859208E-01      
S   1
  1      0.29058164020E-01            1.0000000        
S   1
  1      0.12111638157E-01            1.0000000        
P   5
  1    361.22492154             0.20906479823E-01      
  2     84.670222166            0.15043641740    
  3     26.469088236            0.55440061077    
  4      9.2658077615           1.0409009991     
  5      3.3423388293           0.67825341194    
P   3
  1      1.5100876104           0.75248191146    
  2      0.56568375163          1.3708585031     
  3      0.20817008495          0.66047633079    
P   1
  1      0.0417370              1.0000000        


name: Ahlrichs pVDZ
description: VDZP Valence Double Zeta + Polarization on All Atoms
elt: Ca
data:
CALCIUM
S   6
  1  35138.7139290              0.39482520740E-02      
  2   5276.4111348              0.30234243552E-01      
  3   1200.4692589              0.14952019681    
  4    338.71810542             0.51597345713    
  5    109.85385922             1.0339510296     
  6     37.608880299            0.76937933526    
S   3
  1     73.107977555           -0.28268525011    
  2      8.2407705688           1.6796092142     
  3      3.2959812993           1.2803766016     
S   3
  1      5.2341800914          -0.76868604561E-02      
  2      0.84187220515          0.25382375978E-01      
  3      0.36510294029          0.16512171511E-01      
S   1
  1      0.51222402884E-01            1.0000000        
S   1
  1      0.19825111408E-01            1.0000000        
P   5
  1    413.11313893             0.20327135354E-01      
  2     96.935786224            0.14730276362    
  3     30.372154659            0.54887167322    
  4     10.684776830            1.0440659818     
  5      3.8821258350           0.68653490684    
P   3
  1      1.7993016295           0.75410246871    
  2      0.69189056530          1.3409296599     
  3      0.26364024096          0.56391989435    
P   1
  1      0.0749790              1.0000000        


name: Ahlrichs pVDZ
description: VDZP Valence Double Zeta + Polarization on All Atoms
elt: Sc
data:
SCANDIUM
S   6
  1  38956.0818040              0.39293205858E-02      
  2   5849.5733637              0.30093221229E-01      
  3   1330.8813154              0.14890370950    
  4    375.55534165             0.51464282906    
  5    121.87261370             1.0337708070     
  6     41.760243729            0.77436851627    
S   3
  1     81.060633953           -0.28318552316    
  2      9.2059823972           1.6770806984     
  3      3.7063215732           1.2594733678     
S   3
  1      5.9888909988          -0.77821367493E-02      
  2      0.97363432378          0.25499692745E-01      
  3      0.42041019223          0.16191560820E-01      
S   1
  1      0.059440551913         1.0000000        
S   1
  1      0.022897806303         1.0000000        
P   5
  1    466.31481262             0.019984300385   
  2    109.51217097             0.14561043072    
  3     34.375921827            0.54687466223    
  4     12.142096955            1.0479006012     
  5      4.4336767669           0.68894890327    
P   3
  1      2.0971291866           0.75619214724    
  2      0.80977606956          1.3178212235     
  3      0.30834046588          0.54312268173    
P   1
  1      0.0897480              1.0000000        
D   4
  1     19.240334928            0.27039082144E-01      
  2      5.1178995899           0.13803684743    
  3      1.6554278827           0.34869086403    
  4      0.54016355610          0.48594185717    
D   1
  1      0.16211214518          1.0000000        


name: Ahlrichs pVDZ
description: VDZP Valence Double Zeta + Polarization on All Atoms
elt: Ti
data:
TITANIUM
S   6
  1  42961.5121850              0.39127635355E-02      
  2   6450.9759169              0.29969820489E-01      
  3   1467.7210915              0.14836352707    
  4    414.20997355             0.51347285324    
  5    134.48715840             1.0335365483     
  6     46.122209796            0.77854233930    
S   3
  1     89.447762543           -0.28385401259    
  2     10.223346060            1.6772785333     
  3      4.1353774271           1.2411928456     
S   3
  1      6.7896181452          -0.78399994518E-02      
  2      1.1106730691           0.25495493019E-01      
  3      0.47565975578          0.16061172892E-01      
S   1
  1      0.65986956934E-01            1.0000000        
S   1
  1      0.25210342250E-01            1.0000000        
P   5
  1    522.03684782             0.19754179642E-01      
  2    122.68649489             0.14460677619    
  3     38.572903611            0.54669004165    
  4     13.672169319            1.0531647540     
  5      5.0118529359           0.69111213363    
P   3
  1      2.4131928282           0.75803437136    
  2      0.93252270050          1.3036241399     
  3      0.35429058390          0.53638653300    
P   1
  1      0.1015610              1.0000000        
D   4
  1     23.465125957            0.26536380115E-01      
  2      6.3332593832           0.13796453963    
  3      2.0766489946           0.35312644228    
  4      0.69027361954          0.48647124166    
D   1
  1      0.21088738554          1.0000000        


name: Ahlrichs pVDZ
description: VDZP Valence Double Zeta + Polarization on All Atoms
elt: V
data:
VANADIUM
S   6
  1  47160.3760600              0.14498688908E-02      
  2   7081.4110871              0.11106435251E-01      
  3   1611.1621223              0.55005423585E-01      
  4    454.72940551             0.19060252591    
  5    147.71321208             0.38435022957    
  6     50.699538950            0.29095546792    
S   3
  1     98.262492669           -0.10942337856    
  2     11.294293099            0.64539490399    
  3      4.5853360105           0.47117880777    
S   3
  1      7.6359689588          -0.22454949054    
  2      1.2539836689           0.72594852764    
  3      0.53271935387          0.45560582748    
S   1
  1      0.72246239566E-01            1.0000000        
S   1
  1      0.27358087448E-01            1.0000000        
P   5
  1    580.55044988             0.97315110917E-02      
  2    136.52341127             0.71531241137E-01      
  3     42.983958820            0.27197688414    
  4     15.282798763            0.52618988893    
  5      5.6202495154           0.34452533498    
P   3
  1      2.7485386415           0.34040396496    
  2      1.0618550073           0.57983996120    
  3      0.40235518645          0.23911643083    
P   1
  1      0.1112480              1.0000000        
D   4
  1     27.358434017            0.26641927050E-01      
  2      7.4540604253           0.13995311726    
  3      2.4633917847           0.35751066639    
  4      0.82480925277          0.48488354148    
D   1
  1      0.25257904742          1.0000000        


name: Ahlrichs pVDZ
description: VDZP Valence Double Zeta + Polarization on All Atoms
elt: Cr
data:
CHROMIUM
S   6
  1  51528.0863490              0.14405823106E-02      
  2   7737.2103487              0.11036202287E-01      
  3   1760.3748470              0.54676651806E-01      
  4    496.87706544             0.18965038103    
  5    161.46520598             0.38295412850    
  6     55.466352268            0.29090050668    
S   3
  1    107.54732999            -0.10932281100    
  2     12.408671897            0.64472599471    
  3      5.0423628826           0.46262712560    
S   3
  1      8.5461640165          -0.22711013286    
  2      1.3900441221           0.73301527591    
  3      0.56066602876          0.44225565433    
S   1
  1      0.71483705972E-01            1.0000000        
S   1
  1      0.28250687604E-01            1.0000000        
P   5
  1    640.48536096             0.96126715203E-02      
  2    150.69711194             0.70889834655E-01      
  3     47.503755296            0.27065258990    
  4     16.934120165            0.52437343414    
  5      6.2409680590           0.34107994714    
P   3
  1      3.0885463206           0.33973986903    
  2      1.1791047769           0.57272062927    
  3      0.43369774432          0.24582728206    
P   1
  1      0.1206750              1.0000000        
D   4
  1     27.559479426            0.30612488044D-01      
  2      7.4687020327           0.15593270944    
  3      2.4345903574           0.36984421276    
  4      0.78244754808          0.47071118077    
D   1
  1      0.21995774311          1.0000000        


name: Ahlrichs pVDZ
description: VDZP Valence Double Zeta + Polarization on All Atoms
elt: Mn
data:
MANGANESE
S   6
  1  56137.0090370              0.14321304702E-02      
  2   8429.2063943              0.10972509162E-01      
  3   1917.8277233              0.54382468712E-01      
  4    541.36230198             0.18884335129    
  5    176.00069142             0.38198025054    
  6     60.500477010            0.29156772596    
S   3
  1    117.17282882            -0.10933661328    
  2     13.596973368            0.64305039431    
  3      5.5483996341           0.45848970584    
S   3
  1      9.4662853530          -0.22538977259    
  2      1.5595006070           0.72307758657    
  3      0.65230205868          0.45300721536    
S   1
  1      0.84003734475E-01            1.0000000        
S   1
  1      0.31256098581E-01            1.0000000        
P   5
  1    706.00497535             0.95055518167E-02      
  2    166.19728820             0.70356271142E-01      
  3     52.452061906            0.27005556982    
  4     18.746932862            0.52574344602    
  5      6.9282991622           0.34254033223    
P   3
  1      3.4772204938           0.33994073736    
  2      1.3406906449           0.57203836254    
  3      0.50498803038          0.23847605831    
P   1
  1      0.1276500              1.0000000        
D   4
  1     35.423264935            0.26985304111E-01      
  2      9.7814221451           0.14383458648    
  3      3.2673488767           0.36418958377    
  4      1.1026472189           0.48152670661    
D   1
  1      0.33743205934          1.0000000        


name: Ahlrichs pVDZ
description: VDZP Valence Double Zeta + Polarization on All Atoms
elt: Fe
data:
IRON
S   6
  1  60923.6406430              0.14302254466E-02      
  2   9147.8893982              0.10958790038E-01      
  3   2081.3505927              0.54332554248E-01      
  4    587.55977067             0.18884995009    
  5    191.09043990             0.38253069946    
  6     65.732730112            0.29308335984    
S   3
  1    127.25891928            -0.10964564925    
  2     14.830913010            0.64387631332    
  3      6.0653307408           0.45472347323    
S   3
  1     10.449943710           -0.22539639952    
  2      1.7245228003           0.72164398156    
  3      0.71772177325          0.44985492922    
S   1
  1      0.91449828308E-01            1.0000000        
S   1
  1      0.33706691021E-01            1.0000000        
P   5
  1    773.43750995             0.94325735144E-02      
  2    182.15149714             0.70029620575E-01      
  3     57.547272758            0.26993651996    
  4     20.614988935            0.52700011047    
  5      7.6348557890           0.34284148028    
P   3
  1      3.8719327990           0.33974402988    
  2      1.4924724132           0.56842594005    
  3      0.56061284958          0.23649365839    
P   1
  1      0.1349150              1.0000000        
D   4
  1     38.968133419            0.27879664382E-01      
  2     10.800067078            0.14858319982    
  3      3.6136457999           0.36905479496    
  4      1.2129967888           0.47745100883    
D   1
  1      0.36524393170          1.0000000        


name: Ahlrichs pVDZ
description: VDZP Valence Double Zeta + Polarization on All Atoms
elt: Co
data:
COBALT
S   6
  1  65902.2082570              0.14284614936E-02      
  2   9895.3896027              0.10946072783E-01      
  3   2251.4305789              0.54285953890E-01      
  4    635.61097084             0.18885179079    
  5    206.78820681             0.38301634994    
  6     71.179242971            0.29443551266    
S   3
  1    137.77268040            -0.10990221736    
  2     16.118079243            0.64455537395    
  3      6.6030327710           0.45116787924    
S   3
  1     11.479915788           -0.22593846910    
  2      1.8956426324           0.72231409008    
  3      0.78466232067          0.44903812296    
S   1
  1      0.98425774432E-01            1.0000000        
S   1
  1      0.35945741932E-01            1.0000000        
P   5
  1    843.64358575             0.93866097254E-02      
  2    198.76386994             0.69880208716E-01      
  3     62.854963098            0.27037070345    
  4     22.562842280            0.52904786880    
  5      8.3713209127           0.34357029579    
P   3
  1      4.2858719800           0.34027999036    
  2      1.6508041817           0.56693392384    
  3      0.61834231096          0.23617979783    
P   1
  1      0.1413080              1.0000000        
D   4
  1     42.927867612            0.28487788365E-01      
  2     11.942533053            0.15206951283    
  3      4.0046495664           0.37310913999    
  4      1.3413193804           0.47549837676    
D   1
  1      0.40015009743          1.0000000        


name: Ahlrichs pVDZ
description: VDZP Valence Double Zeta + Polarization on All Atoms
elt: Ni
data:
NICKEL
S   6
  1  71074.8032110              0.14260386729E-02      
  2  10672.0209410              0.10928236994E-01      
  3   2428.1389007              0.54212626938E-01      
  4    685.53595148             0.18874768902    
  5    223.10072863             0.38324616985    
  6     76.842014042            0.29550637144    
S   3
  1    148.71122016            -0.11014443059    
  2     17.459154987            0.64521426988    
  3      7.1625280665           0.44797838103    
S   3
  1     12.556137125           -0.22645403224    
  2      2.0735740488           0.72320959286    
  3      0.85382640602          0.44868026476    
S   1
  1      0.10536766271          1.0000000        
S   1
  1      0.38134087688E-01            1.0000000        
P   5
  1    916.73608662             0.93439635610E-02      
  2    216.06139913             0.69737374902E-01      
  3     68.383914817            0.27073495012    
  4     24.593843952            0.53078301549    
  5      9.1392960204           0.34410229438    
P   3
  1      4.7193371746           0.34076082016    
  2      1.8161849234           0.56580169611    
  3      0.67840750720          0.23616717361    
P   1
  1      0.1465880              1.0000000        
D   4
  1     47.093832108            0.28982316948E-01      
  2     13.146463975            0.15494995950    
  3      4.4170548925           0.37633115111    
  4      1.4771565078           0.47365096014    
D   1
  1      0.43735921792          1.0000000        


name: Ahlrichs pVDZ
description: VDZP Valence Double Zeta + Polarization on All Atoms
elt: Cu
data:
COPPER
S   6
  1  76381.3480560              0.14336079896E-02      
  2  11468.7774990              0.10986749865E-01      
  3   2609.4246495              0.54513652465E-01      
  4    736.75033098             0.18990128258    
  5    239.82419958             0.38581959211    
  6     82.656829252            0.29790607498    
S   3
  1    160.13544196            -0.11146778567    
  2     18.834177695            0.65349301031    
  3      7.7176595741           0.44770534421    
S   3
  1     13.710846717           -0.22870911122    
  2      2.2349895670           0.73464423031    
  3      0.87818360069          0.43273070874    
S   1
  1      0.87187458064E-01            1.0000000        
S   1
  1      0.32969114665E-01            1.0000000        
P   5
  1    991.24075782             0.93878498798E-02      
  2    233.69376116             0.70208282458E-01      
  3     74.020930927            0.27323522220    
  4     26.664967447            0.53580792728    
  5      9.9192087478           0.34575794906    
P   3
  1      5.1519553926           0.34229108083    
  2      1.9638205828           0.56456592484    
  3      0.71560097037          0.24078584318    
P   1
  1      0.1550650              1.0000000        
D   4
  1     47.335049590            0.32375547758E-01      
  2     13.161666077            0.16810218684    
  3      4.3693777244           0.38477707982    
  4      1.4132925109           0.46147880178    
D   1
  1      0.38878001452          1.0000000        


name: Ahlrichs pVDZ
description: VDZP Valence Double Zeta + Polarization on All Atoms
elt: Zn
data:
ZINC
S   6
  1  82000.7116290              0.14210764000E-02      
  2  12312.4717770              0.10891499487E-01      
  3   2801.3944193              0.54057188059E-01      
  4    790.99424302             0.18847463904    
  5    257.56551079             0.38346549346    
  6     88.814933400            0.29723794197    
S   3
  1    171.86353716            -0.11051849523    
  2     20.302534785            0.64607716984    
  3      8.3464123068           0.44220117322    
S   3
  1     14.847536940           -0.22705309278    
  2      2.4495029507           0.72433217935    
  3      0.99845821824          0.44836495592    
S   1
  1      0.11891307937          1.0000000        
S   1
  1      0.42297428760E-01            1.0000000        
P   5
  1   1071.5185372              0.92767797235E-02      
  2    252.69712152             0.69541149434E-01      
  3     80.100829126            0.27156772564    
  4     28.903393172            0.53401355573    
  5     10.768899879            0.34501323446    
P   3
  1      5.6446212530           0.34129600164    
  2      2.1678291347           0.56390521973    
  3      0.80540898341          0.23676109735    
P   1
  1      0.1624550              1.0000000        
D   4
  1     56.088939191            0.29588869140E-01      
  2     15.751908917            0.158725714045   
  3      5.3115812367           0.379762291591   
  4      1.7737904917           0.468989591719   
D   1
  1      0.51975583665          1.0000000        


name: Ahlrichs pVDZ
description: VDZP Valence Double Zeta + Polarization on All Atoms
elt: Ga
data:
GALLIUM
S   6
  1  87842.1262960              0.14271588798E-02      
  2  13189.4964020              0.10938894097E-01      
  3   3000.9482141              0.54308200127E-01      
  4    847.38425966             0.18951055983    
  5    276.00980642             0.38615185918    
  6     95.216672071            0.30051082719    
S   3
  1    184.00703968            -0.11124461963    
  2     21.827051433            0.64831322918    
  3      9.0026963761           0.44358383594    
S   3
  1     16.033176938           -0.23014299555    
  2      2.6707724878           0.72946861516    
  3      1.1252834170           0.46214976951    
S   1
  1      0.15967608829          1.0000000        
S   1
  1      0.057643044753         1.0000000        
P   5
  1   1167.2665844              0.90974021307E-02      
  2    275.38062789             0.68456273343E-01      
  3     87.375073070            0.26922293888    
  4     31.597254670            0.53507897882    
  5     11.824122798            0.35279062760    
P   3
  1      6.2881845133           0.33938244530    
  2      2.5199853240           0.56871947608    
  3      1.0169726306           0.27717694939    
P   1
  1      0.24748373604          1.0000000        
P   1
  1      0.66685294163E-01            1.0000000        
D   4
  1     65.354237674            0.27370146382E-01      
  2     18.504656747            0.15099463976    
  3      6.3179620632           0.37485328545    
  4      2.1641389426           0.47510606851    
D   1
  1      0.66693092754          1.0000000        
D   1
  1      0.2070000              1.0000000        


name: Ahlrichs pVDZ
description: VDZP Valence Double Zeta + Polarization on All Atoms
elt: Ge
data:
GERMANIUM
S   6
  1  93889.8366420              0.14233976060E-02      
  2  14097.4975280              0.10910795654E-01      
  3   3207.5477309              0.54183705943E-01      
  4    905.76727269             0.18922820349    
  5    295.11014693             0.38612847001    
  6    101.84713141             0.30164050736    
S   3
  1    196.56719662            -0.11118770940    
  2     23.405292522            0.64616007369    
  3      9.6839116702           0.44188904568    
S   3
  1     17.269736544           -0.23027421375    
  2      2.8964622160           0.73017169398    
  3      1.2553621412           0.46197222255    
S   1
  1      0.20213081492          1.0000000        
S   1
  1      0.73867910982E-01            1.0000000        
P   5
  1   1259.2085995              0.90115464252E-02      
  2    297.15626382             0.67986841689E-01      
  3     94.353387522            0.26853856488    
  4     34.176329677            0.53659649219    
  5     12.816139615            0.35633514961    
P   3
  1      6.8471029784           0.33900693119    
  2      2.7717363939           0.56809365264    
  3      1.1458418175           0.27246539884    
P   1
  1      0.30679631536          1.0000000        
P   1
  1      0.89283644115E-01            1.0000000        
D   4
  1     74.782168177            0.25755860205E-01      
  2     21.310849759            0.14536816132    
  3      7.3464792363           0.37134209859    
  4      2.5656271395           0.48002998436    
D   1
  1      0.81981773070          1.0000000        
D   1
  1      0.2460000              1.0000000        


name: Ahlrichs pVDZ
description: VDZP Valence Double Zeta + Polarization on All Atoms
elt: As
data:
ARSENIC
S   6
  1 100146.5255400              0.14258349617E-02      
  2  15036.8617110              0.10930176963E-01      
  3   3421.2902833              0.54294174610E-01      
  4    966.16965717             0.18976078153    
  5    314.87394026             0.38775195453    
  6    108.70823790             0.30402812040    
S   3
  1    209.54238950            -0.11162094204    
  2     25.038221139            0.64697607762    
  3     10.390964343            0.44223608673    
S   3
  1     18.555090093           -0.22994190569    
  2      3.1281217449           0.73319107613    
  3      1.3884885073           0.45533653943    
S   1
  1      0.24714362141          1.0000000        
S   1
  1      0.91429428670E-01            1.0000000        
P   5
  1   1355.6443507              0.89182507898E-02      
  2    319.99929270             0.67454750717E-01      
  3    101.67734092             0.26759772110    
  4     36.886323845            0.53776844520    
  5     13.861115909            0.35992570244    
P   3
  1      7.4260666912           0.34036849637    
  2      3.0316247187           0.57030149334    
  3      1.2783078340           0.26606170238    
P   1
  1      0.37568503356          1.0000000        
P   1
  1      0.11394805454          1.0000000        
D   4
  1     84.445514539            0.24518402724E-01      
  2     24.190416102            0.14107454677    
  3      8.4045015119           0.36875228915    
  4      2.9808970748           0.48409561362    
D   1
  1      0.97909243359          1.0000000        
D   1
  1      0.2930000              1.0000000        


name: Ahlrichs pVDZ
description: VDZP Valence Double Zeta + Polarization on All Atoms
elt: Se
data:
SELENIUM
S   6
  1 106612.2002700              0.14274889113E-02      
  2  16007.6047010              0.10943525114E-01      
  3   3642.1699707              0.54374171596E-01      
  4   1028.5912993              0.19018092947    
  5    335.30298888             0.38913021696    
  6    115.80129154             0.30620207088    
S   3
  1    222.93325020            -0.11198808009    
  2     26.726257934            0.64752124207    
  3     11.124501923            0.44241976651    
S   3
  1     19.888520061           -0.22857227762    
  2      3.3668473803           0.73591359951    
  3      1.5249277839           0.44330199577    
S   1
  1      0.29630037912          1.0000000        
S   1
  1      0.11009288974          1.0000000        
P   5
  1   1455.9068120              0.88203597043E-02      
  2    343.75101831             0.66875851967E-01      
  3    109.29554964             0.26640578080    
  4     39.707711022            0.53834928422    
  5     14.950185232            0.36303281993    
P   3
  1      8.0208962094           0.34153807025    
  2      3.2934649756           0.57257906583    
  3      1.4058602438           0.25549813222    
P   1
  1      0.45076123226          1.0000000        
P   1
  1      0.13353413325          1.0000000        
D   4
  1     94.494024044            0.23490101098D-01      
  2     27.188185260            0.13747735767D+00      
  3      9.5091567352           0.36649929124D+00      
  4      3.4170516853           0.48750989884D+00      
D   1
  1      1.1479590083           1.0000000        
D   1
  1      0.3380000              1.0000000        


name: Ahlrichs pVDZ
description: VDZP Valence Double Zeta + Polarization on All Atoms
elt: Br
data:
BROMINE
S   6
  1 113286.3877600              0.14283037779E-02      
  2  17009.6263030              0.10950417496E-01      
  3   3870.1842567              0.54421006604E-01      
  4   1093.0357227              0.19047907695    
  5    356.39721797             0.39024642737    
  6    123.12539643             0.30814432514    
S   3
  1    236.74084007            -0.11228065671    
  2     28.468661070            0.64775962312    
  3     11.883443722            0.44235575986    
S   3
  1     21.269633312           -0.22642576323    
  2      3.6129226841           0.73823712008    
  3      1.6626648969           0.42683868694    
S   1
  1      0.34823793232          1.0000000        
S   1
  1      0.13019031394          1.0000000        
P   5
  1   1560.2801881              0.87166669072E-02      
  2    368.47859205             0.66243637420E-01      
  3    117.22978849             0.26495610385    
  4     42.648909248            0.53839160587    
  5     16.087225096            0.36579387888    
P   3
  1      8.6352810058           0.34248787366    
  2      3.5613665502           0.57500678213    
  3      1.5292626609           0.24330394172    
P   1
  1      0.53064294848          1.0000000        
P   1
  1      0.15702758965          1.0000000        
D   4
  1    104.85518642             0.22650147581D-01      
  2     30.281143688            0.13455483230    
  3     10.651394267            0.36474454537    
  4      3.8699456233           0.49044587056    
D   1
  1      1.3240876762           1.0000000        
D   1
  1      0.3890000              1.0000000        


name: Ahlrichs pVDZ
description: VDZP Valence Double Zeta + Polarization on All Atoms
elt: Kr
data:
KRYPTON
S   6
  1 120165.6487500              0.0014294234496  
  2  18042.5001690              0.0109595970200  
  3   4105.1800388              0.0544796474700  
  4   1159.4447248              0.19081239122    
  5    378.13810346             0.39140445949    
  6    130.67610045             0.31007346689    
S   3
  1    250.96373353            -0.11258604011    
  2     30.265930380            0.64816322524    
  3     12.668110757            0.44240238994    
S   3
  1     22.697940101           -0.22391964908    
  2      3.8673017398           0.74060953026    
  3      1.8013706671           0.40803658445    
S   1
  1      0.40308639136          1.0000000        
S   1
  1      0.15170527749          1.0000000        
P   5
  1   1668.5736623              0.86215009803E-02      
  2    394.13862798             0.65665506884E-01      
  3    125.46644854             0.26366576697    
  4     45.704992729            0.53867658574    
  5     17.270133229            0.36865167502    
P   3
  1      9.2699487770           0.34346189015    
  2      3.8364617719           0.57784776196    
  3      1.6467163312           0.23075615197    
P   1
  1      0.61479686489          1.0000000        
P   1
  1      0.18319467414          1.0000000        
D   4
  1    115.55868603             0.21945485333D-01      
  2     33.477985864            0.13211212879    
  3     11.834450207            0.36333306964    
  4      4.3408254894           0.49300484446    
D   1
  1      1.5079273157           1.0000000        
D   1
  1      0.4430000              1.0000000        


name: Binning-Curtiss (df) Polarization
description: 2P Polarization functions
elt: Ga
data:
GALLIUM
D   1
  1      0.1410000              1.0000000        
F   1
  1      0.1670000              1.0000000        


name: Binning-Curtiss (df) Polarization
description: 2P Polarization functions
elt: Ge
data:
GERMANIUM
D   1
  1      0.2020000              1.0000000        
F   1
  1      0.2670000              1.0000000        


name: Binning-Curtiss (df) Polarization
description: 2P Polarization functions
elt: As
data:
ARSENIC
D   1
  1      0.2730000              1.0000000        
F   1
  1      0.3720000              1.0000000        


name: Binning-Curtiss (df) Polarization
description: 2P Polarization functions
elt: Se
data:
SELENIUM
D   1
  1      0.3150000              1.0000000        
F   1
  1      0.4000000              1.0000000        


name: Binning-Curtiss (df) Polarization
description: 2P Polarization functions
elt: Br
data:
BROMINE
D   1
  1      0.3380000              1.0000000        
F   1
  1      0.4010000              1.0000000        


name: Binning-Curtiss (df) Polarization
description: 2P Polarization functions
elt: Kr
data:
KRYPTON
D   1
  1      0.3180000              1.0000000        
F   1
  1      0.4010000              1.0000000        


name: Bauschlicher ANO
description: VQZ3P Valence Quadruple zeta + Polarization on All Atoms
elt: Sc
data:
SCANDIUM
S   20
  1 4789458.0000000             0.0000040        
  2 717138.0000000              0.0000350        
  3 163199.4000000              0.0001820        
  4  46226.0700000              0.0007680        
  5  15081.0300000              0.0027890        
  6   5444.4930000              0.0090270        
  7   2123.4480000              0.0263500        
  8    880.5910000              0.0688820        
  9    383.7729000              0.1556330        
 10    174.1198000              0.2817100        
 11     81.5518300              0.3481800        
 12     38.7658700              0.2193610        
 13     17.2296200              0.0389150        
 14      8.43034800            -0.0020840        
 15      4.10581900             0.0017110        
 16      1.80662500            -0.0007990        
 17      0.870423000            0.0003600        
 18      0.396841000           -0.0001520        
 19      0.095711000            0.0000610        
 20      0.048247000           -0.0000480        
S   20
  1 4789458.0000000            -0.0000010        
  2 717138.0000000             -0.0000100        
  3 163199.4000000             -0.0000530        
  4  46226.0700000             -0.0002250        
  5  15081.0300000             -0.0008200        
  6   5444.4930000             -0.0026660        
  7   2123.4480000             -0.0079010        
  8    880.5910000             -0.0212590        
  9    383.7729000             -0.0514410        
 10    174.1198000             -0.1064140        
 11     81.5518300             -0.1735290        
 12     38.7658700             -0.1532720        
 13     17.2296200              0.1315640        
 14      8.43034800             0.5369410        
 15      4.10581900             0.4348940        
 16      1.80662500             0.0674860        
 17      0.870423000           -0.0027360        
 18      0.396841000            0.0020550        
 19      0.095711000           -0.0005000        
 20      0.048247000            0.0003920        
S   19
  1 717138.0000000              0.0000040        
  2 163199.4000000              0.0000180        
  3  46226.0700000              0.0000790        
  4  15081.0300000              0.0002820        
  5   5444.4930000              0.0009290        
  6   2123.4480000              0.0027470        
  7    880.5910000              0.0074180        
  8    383.7729000              0.0181180        
  9    174.1198000              0.0379710        
 10     81.5518300              0.0643440        
 11     38.7658700              0.0593250        
 12     17.2296200             -0.0556380        
 13      8.43034800            -0.3071940        
 14      4.10581900            -0.3996940        
 15      1.80662500             0.1576640        
 16      0.870423000            0.6940990        
 17      0.396841000            0.3980330        
 18      0.095711000            0.0231070        
 19      0.048247000           -0.0089200        
S   19
  1 717138.0000000             -0.0000010        
  2 163199.4000000             -0.0000050        
  3  46226.0700000             -0.0000190        
  4  15081.0300000             -0.0000700        
  5   5444.4930000             -0.0002280        
  6   2123.4480000             -0.0006800        
  7    880.5910000             -0.0018320        
  8    383.7729000             -0.0044760        
  9    174.1198000             -0.0094020        
 10     81.5518300             -0.0159390        
 11     38.7658700             -0.0148430        
 12     17.2296200              0.0140910        
 13      8.43034800             0.0800850        
 14      4.10581900             0.1110910        
 15      1.80662500            -0.0561130        
 16      0.870423000           -0.2414050        
 17      0.396841000           -0.2967100        
 18      0.095711000            0.3310090        
 19      0.048247000            0.6307610        
S   20
  1 4789458.0000000            -0.0000100        
  2 717138.0000000              0.0000810        
  3 163199.4000000             -0.0000520        
  4  46226.0700000             -0.0000150        
  5  15081.0300000             -0.0001280        
  6   5444.4930000             -0.0003690        
  7   2123.4480000             -0.0011710        
  8    880.5910000             -0.0029350        
  9    383.7729000             -0.0078780        
 10    174.1198000             -0.0145410        
 11     81.5518300             -0.0297040        
 12     38.7658700             -0.0180580        
 13     17.2296200              0.0058640        
 14      8.43034800             0.1801430        
 15      4.10581900             0.1175170        
 16      1.80662500             0.0544810        
 17      0.870423000           -0.9204520        
 18      0.396841000            0.1343350        
 19      0.095711000            2.1416410        
 20      0.048247000           -1.1651950        
S   20
  1 4789458.0000000             0.0000110        
  2 717138.0000000             -0.0000560        
  3 163199.4000000              0.0001400        
  4  46226.0700000             -0.0006310        
  5  15081.0300000              0.0016770        
  6   5444.4930000             -0.0078970        
  7   2123.4480000              0.0095150        
  8    880.5910000              0.0003610        
  9    383.7729000              0.0153950        
 10    174.1198000              0.0209310        
 11     81.5518300              0.0516960        
 12     38.7658700              0.0215480        
 13     17.2296200              0.0106070        
 14      8.43034800            -0.3528430        
 15      4.10581900            -0.1409830        
 16      1.80662500            -0.0959880        
 17      0.870423000            2.3785830        
 18      0.396841000           -2.5788460        
 19      0.095711000           -0.3706990        
 20      0.048247000            2.8667080        
S   1
  1      0.022661000            1.0000000        
P   15
  1   7118.9870000              0.0000900        
  2   1685.9150000              0.0007950        
  3    547.4592000              0.0045010        
  4    209.0187000              0.0190160        
  5     88.2263800              0.0629700        
  6     39.9087500              0.1604310        
  7     18.8517200              0.2975260        
  8      9.14176300             0.3682280        
  9      4.50391400             0.2343540        
 10      2.14309200             0.0488860        
 11      1.00761100             0.0007460        
 12      0.463154000            0.0007680        
 13      0.193060000           -0.0002540        
 14      0.077220000            0.0001140        
 15      0.030890000           -0.0000560        
P   15
  1   7118.9870000             -0.0000300        
  2   1685.9150000             -0.0002620        
  3    547.4592000             -0.0014830        
  4    209.0187000             -0.0063390        
  5     88.2263800             -0.0213110        
  6     39.9087500             -0.0563290        
  7     18.8517200             -0.1079740        
  8      9.14176300            -0.1445140        
  9      4.50391400            -0.0560840        
 10      2.14309200             0.2396690        
 11      1.00761100             0.4746320        
 12      0.463154000            0.3647390        
 13      0.193060000            0.0777780        
 14      0.077220000           -0.0015240        
 15      0.030890000            0.0022560        
P   15
  1   7118.9870000              0.0000090        
  2   1685.9150000              0.0000760        
  3    547.4592000              0.0004420        
  4    209.0187000              0.0018480        
  5     88.2263800              0.0063640        
  6     39.9087500              0.0164300        
  7     18.8517200              0.0326840        
  8      9.14176300             0.0417770        
  9      4.50391400             0.0191990        
 10      2.14309200            -0.0891780        
 11      1.00761100            -0.1527690        
 12      0.463154000           -0.2189900        
 13      0.193060000            0.2279570        
 14      0.077220000            0.7693560        
 15      0.030890000            0.1611950        
P   15
  1   7118.9870000              0.0004540        
  2   1685.9150000             -0.0023100        
  3    547.4592000              0.0022250        
  4    209.0187000              0.0033960        
  5     88.2263800              0.0122400        
  6     39.9087500              0.0356370        
  7     18.8517200              0.0595040        
  8      9.14176300             0.1051300        
  9      4.50391400             0.0117120        
 10      2.14309200            -0.1408420        
 11      1.00761100            -0.6411810        
 12      0.463154000            0.1221520        
 13      0.193060000            1.3953750        
 14      0.077220000           -0.7062790        
 15      0.030890000           -0.4300300        
P   15
  1   7118.9870000             -0.0005020        
  2   1685.9150000              0.0020750        
  3    547.4592000             -0.0066550        
  4    209.0187000              0.0187800        
  5     88.2263800             -0.0726120        
  6     39.9087500              0.1181100        
  7     18.8517200              0.0432120        
  8      9.14176300             0.1446660        
  9      4.50391400             0.0822290        
 10      2.14309200            -0.3699950        
 11      1.00761100            -1.2279850        
 12      0.463154000            2.4506950        
 13      0.193060000           -1.2087560        
 14      0.077220000           -0.6586530        
 15      0.030890000            1.1267960        
P   1
  1      0.012360000            1.0000000        
D   9
  1     73.5186800              0.0019940        
  2     21.7610000              0.0144910        
  3      7.92175500             0.0560450        
  4      3.18420000             0.1504840        
  5      1.34262100             0.2674420        
  6      0.561524000            0.3329810        
  7      0.227705000            0.3318750        
  8      0.085241000            0.2165330        
  9      0.034100000            0.0502200        
D   9
  1     73.5186800             -0.0020560        
  2     21.7610000             -0.0151300        
  3      7.92175500            -0.0585890        
  4      3.18420000            -0.1600760        
  5      1.34262100            -0.2654460        
  6      0.561524000           -0.2817790        
  7      0.227705000            0.1431640        
  8      0.085241000            0.5984990        
  9      0.034100000            0.2648190        
D   9
  1     73.5186800             -0.0022580        
  2     21.7610000             -0.0218000        
  3      7.92175500            -0.0725690        
  4      3.18420000            -0.2222150        
  5      1.34262100            -0.3386620        
  6      0.561524000           -0.0198920        
  7      0.227705000            0.8645120        
  8      0.085241000           -0.1586060        
  9      0.034100000           -0.6502150        
D   9
  1     73.5186800              0.0235340        
  2     21.7610000             -0.1037070        
  3      7.92175500             0.1876500        
  4      3.18420000             0.2522430        
  5      1.34262100             0.4588710        
  6      0.561524000           -0.9555000        
  7      0.227705000            0.0005320        
  8      0.085241000            1.0895050        
  9      0.034100000           -1.0172180        
F   6
  1      2.96460000             0.0343030        
  2      1.18590000             0.1016390        
  3      0.474300000            0.3239780        
  4      0.189700000            0.5165980        
  5      0.075900000            0.2940030        
  6      0.030400000            0.0266410        
F   6
  1      2.96460000             0.1290820        
  2      1.18590000             0.3169450        
  3      0.474300000            0.5774210        
  4      0.189700000           -0.2135030        
  5      0.075900000           -0.5582270        
  6      0.030400000           -0.0591280        
F   6
  1      2.96460000            -0.2450820        
  2      1.18590000            -0.5126480        
  3      0.474300000            0.0650000        
  4      0.189700000            0.9034580        
  5      0.075900000           -0.8318230        
  6      0.030400000           -0.1293200        
G   4
  1      1.42280000             0.0983400        
  2      0.569100000            0.3578380        
  3      0.227600000            0.5681720        
  4      0.091060000            0.2523340        
G   4
  1      1.42280000             1.2021280        
  2      0.569100000           -0.5474770        
  3      0.227600000            0.0292010        
  4      0.091060000           -0.0998900        


name: Bauschlicher ANO
description: VQZ3P Valence Quadruple zeta + Polarization on All Atoms
elt: Ti
data:
TITANIUM
S   20
  1 5309148.1000000             0.0000040        
  2 794951.6500000              0.0000340        
  3 180907.5600000              0.0001800        
  4  51241.9330000              0.0007590        
  5  16717.4490000              0.0027570        
  6   6035.2659000              0.0089250        
  7   2353.8571000              0.0260620        
  8    976.1464600              0.0681900        
  9    425.4356300              0.1543490        
 10    193.0467700              0.2802820        
 11     90.4393690              0.3484000        
 12     43.0207130              0.2217050        
 13     19.1905550              0.0400180        
 14      9.42571640            -0.0021380        
 15      4.60524340             0.0017220        
 16      2.03783430            -0.0008020        
 17      0.980031800            0.0003560        
 18      0.445625400           -0.0001480        
 19      0.106417000            0.0000570        
 20      0.052570500           -0.0000440        
S   20
  1 5309148.1000000            -0.0000010        
  2 794951.6500000             -0.0000100        
  3 180907.5600000             -0.0000530        
  4  51241.9330000             -0.0002240        
  5  16717.4490000             -0.0008180        
  6   6035.2659000             -0.0026590        
  7   2353.8571000             -0.0078790        
  8    976.1464600             -0.0212220        
  9    425.4356300             -0.0514220        
 10    193.0467700             -0.1067020        
 11     90.4393690             -0.1746860        
 12     43.0207130             -0.1560410        
 13     19.1905550              0.1293230        
 14      9.42571640             0.5384640        
 15      4.60524340             0.4357080        
 16      2.03783430             0.0681170        
 17      0.980031800           -0.0024360        
 18      0.445625400            0.0019870        
 19      0.106417000           -0.0004560        
 20      0.052570500            0.0003540        
S   19
  1 794951.6500000              0.0000040        
  2 180907.5600000              0.0000180        
  3  51241.9330000              0.0000810        
  4  16717.4490000              0.0002890        
  5   6035.2659000              0.0009510        
  6   2353.8571000              0.0028120        
  7    976.1464600              0.0076020        
  8    425.4356300              0.0185920        
  9    193.0467700              0.0390850        
 10     90.4393690              0.0664980        
 11     43.0207130              0.0620460        
 12     19.1905550             -0.0562490        
 13      9.42571640            -0.3180890        
 14      4.60524340            -0.4058270        
 15      2.03783430             0.1704320        
 16      0.980031800            0.6975960        
 17      0.445625400            0.3891500        
 18      0.106417000            0.0218960        
 19      0.052570500           -0.0082540        
S   19
  1 794951.6500000             -0.0000010        
  2 180907.5600000             -0.0000050        
  3  51241.9330000             -0.0000190        
  4  16717.4490000             -0.0000710        
  5   6035.2659000             -0.0002290        
  6   2353.8571000             -0.0006830        
  7    976.1464600             -0.0018400        
  8    425.4356300             -0.0045110        
  9    193.0467700             -0.0094850        
 10     90.4393690             -0.0162070        
 11     43.0207130             -0.0151910        
 12     19.1905550              0.0138500        
 13      9.42571640             0.0823580        
 14      4.60524340             0.1108740        
 15      2.03783430            -0.0582960        
 16      0.980031800           -0.2486150        
 17      0.445625400           -0.2792160        
 18      0.106417000            0.3433130        
 19      0.052570500            0.6149170        
S   20
  1 5309148.1000000            -0.0000110        
  2 794951.6500000              0.0000870        
  3 180907.5600000             -0.0000550        
  4  51241.9330000             -0.0000160        
  5  16717.4490000             -0.0001330        
  6   6035.2659000             -0.0003960        
  7   2353.8571000             -0.0012340        
  8    976.1464600             -0.0031340        
  9    425.4356300             -0.0083600        
 10    193.0467700             -0.0155360        
 11     90.4393690             -0.0318950        
 12     43.0207130             -0.0195050        
 13     19.1905550              0.0050340        
 14      9.42571640             0.1969510        
 15      4.60524340             0.1221620        
 16      2.03783430             0.0483240        
 17      0.980031800           -1.0031570        
 18      0.445625400            0.2569670        
 19      0.106417000            2.0565020        
 20      0.052570500           -1.1902550        
S   20
  1 5309148.1000000             0.0000460        
  2 794951.6500000             -0.0002000        
  3 180907.5600000              0.0007630        
  4  51241.9330000             -0.0021410        
  5  16717.4490000              0.0061820        
  6   6035.2659000             -0.0056600        
  7   2353.8571000              0.0007270        
  8    976.1464600             -0.0065600        
  9    425.4356300             -0.0125850        
 10    193.0467700             -0.0249610        
 11     90.4393690             -0.0528180        
 12     43.0207130             -0.0271110        
 13     19.1905550             -0.0050550        
 14      9.42571640             0.3686510        
 15      4.60524340             0.1803110        
 16      2.03783430            -0.0262370        
 17      0.980031800           -2.3503980        
 18      0.445625400            2.7374740        
 19      0.106417000           -0.1498370        
 20      0.052570500           -2.2160630        
S   1
  1      0.024356800            1.0000000        
P   15
  1   7999.8045000              0.0000880        
  2   1894.4515000              0.0007770        
  3    615.1874800              0.0044040        
  4    234.9274100              0.0186640        
  5     99.2137530              0.0620720        
  6     44.9161400              0.1590770        
  7     21.2497170              0.2969700        
  8     10.3304580              0.3688010        
  9      5.10497990             0.2348260        
 10      2.44069040             0.0493560        
 11      1.15120500             0.0009920        
 12      0.529555600            0.0008040        
 13      0.221190000           -0.0002200        
 14      0.088000000            0.0001060        
 15      0.035000000           -0.0000520        
P   15
  1   7999.8045000             -0.0000290        
  2   1894.4515000             -0.0002610        
  3    615.1874800             -0.0014820        
  4    234.9274100             -0.0063570        
  5     99.2137530             -0.0214770        
  6     44.9161400             -0.0571340        
  7     21.2497170             -0.1104660        
  8     10.3304580             -0.1481470        
  9      5.10497990            -0.0554260        
 10      2.44069040             0.2455620        
 11      1.15120500             0.4757130        
 12      0.529555600            0.3594260        
 13      0.221190000            0.0766160        
 14      0.088000000           -0.0013160        
 15      0.035000000            0.0021070        
P   15
  1   7999.8045000              0.0000090        
  2   1894.4515000              0.0000770        
  3    615.1874800              0.0004470        
  4    234.9274100              0.0018750        
  5     99.2137530              0.0064860        
  6     44.9161400              0.0168790        
  7     21.2497170              0.0337830        
  8     10.3304580              0.0435580        
  9      5.10497990             0.0187800        
 10      2.44069040            -0.0920490        
 11      1.15120500            -0.1600270        
 12      0.529555600           -0.2082470        
 13      0.221190000            0.2396000        
 14      0.088000000            0.7498280        
 15      0.035000000            0.1726060        
P   15
  1   7999.8045000             -0.0002750        
  2   1894.4515000              0.0002760        
  3    615.1874800              0.0008000        
  4    234.9274100              0.0038990        
  5     99.2137530              0.0123110        
  6     44.9161400              0.0350840        
  7     21.2497170              0.0626880        
  8     10.3304580              0.1012360        
  9      5.10497990             0.0187950        
 10      2.44069040            -0.1609690        
 11      1.15120500            -0.6082270        
 12      0.529555600            0.1116360        
 13      0.221190000            1.3650390        
 14      0.088000000           -0.6559960        
 15      0.035000000           -0.4695280        
P   15
  1   7999.8045000             -0.0009600        
  2   1894.4515000              0.0043610        
  3    615.1874800             -0.0149820        
  4    234.9274100              0.0144880        
  5     99.2137530              0.0135750        
  6     44.9161400              0.0389950        
  7     21.2497170              0.0925800        
  8     10.3304580              0.1135110        
  9      5.10497990             0.1171590        
 10      2.44069040            -0.4618710        
 11      1.15120500            -1.1103390        
 12      0.529555600            2.3649510        
 13      0.221190000           -1.1476610        
 14      0.088000000           -0.6841230        
 15      0.035000000            1.1124400        
P   1
  1      0.014000000            1.0000000        
D   9
  1     89.5692010              0.0019660        
  2     26.5843560              0.0147190        
  3      9.77103230             0.0582080        
  4      3.96193290             0.1581680        
  5      1.68926890             0.2828350        
  6      0.715670600            0.3453520        
  7      0.293810600            0.3184370        
  8      0.110830500            0.1856600        
  9      0.044000000            0.0376320        
D   9
  1     89.5692010             -0.0020110        
  2     26.5843560             -0.0150950        
  3      9.77103230            -0.0603600        
  4      3.96193290            -0.1672650        
  5      1.68926890            -0.2740660        
  6      0.715670600           -0.2505030        
  7      0.293810600            0.2022710        
  8      0.110830500            0.5910090        
  9      0.044000000            0.2444200        
D   9
  1     89.5692010             -0.0031930        
  2     26.5843560             -0.0247180        
  3      9.77103230            -0.1011760        
  4      3.96193290            -0.2745010        
  5      1.68926890            -0.3784140        
  6      0.715670600            0.1781750        
  7      0.293810600            0.8056580        
  8      0.110830500           -0.3375820        
  9      0.044000000           -0.5026250        
D   9
  1     89.5692010              0.0198860        
  2     26.5843560             -0.0474660        
  3      9.77103230            -0.0966340        
  4      3.96193290            -0.3628120        
  5      1.68926890            -0.2782630        
  6      0.715670600            1.0454190        
  7      0.293810600           -0.3759280        
  8      0.110830500           -0.8223810        
  9      0.044000000            0.9827220        
F   6
  1      5.43500000             0.0242150        
  2      2.17400000             0.0981360        
  3      0.870000000            0.2845860        
  4      0.348000000            0.4948020        
  5      0.139000000            0.3486170        
  6      0.056000000            0.0641200        
F   6
  1      5.43500000            -0.0748530        
  2      2.17400000            -0.2964440        
  3      0.870000000           -0.5568820        
  4      0.348000000            0.0323020        
  5      0.139000000            0.5926780        
  6      0.056000000            0.1487120        
F   6
  1      5.43500000            -0.1778880        
  2      2.17400000            -0.5063690        
  3      0.870000000           -0.1195650        
  4      0.348000000            0.9269920        
  5      0.139000000           -0.5184050        
  6      0.056000000           -0.3772850        
G   4
  1      2.61000000             0.0931460        
  2      1.04400000             0.2793720        
  3      0.417600000            0.5663260        
  4      0.167000000            0.3445500        
G   4
  1      2.61000000            -0.3960340        
  2      1.04400000            -0.5362870        
  3      0.417600000            0.0624540        
  4      0.167000000            0.6361110        


name: Bauschlicher ANO
description: VQZ3P Valence Quadruple zeta + Polarization on All Atoms
elt: V
data:
VANADIUM
S   19
  1 3321857.0000000             0.0000090        
  2 497435.6000000              0.0000690        
  3 113202.7000000              0.0003610        
  4  32063.3300000              0.0015220        
  5  10459.6200000              0.0055120        
  6   3775.5060000              0.0176680        
  7   1472.0400000              0.0503830        
  8    609.9331000              0.1248090        
  9    265.2634000              0.2517260        
 10    119.8607000              0.3592260        
 11     55.4489100              0.2741650        
 12     24.9837200              0.0648620        
 13     11.8805600             -0.0011640        
 14      5.66031100             0.0019800        
 15      2.49570300            -0.0009180        
 16      1.17786600             0.0004040        
 17      0.520044000           -0.0001650        
 18      0.115965000            0.0000680        
 19      0.058938000           -0.0000550        
S   19
  1 3321857.0000000            -0.0000030        
  2 497435.6000000             -0.0000200        
  3 113202.7000000             -0.0001080        
  4  32063.3300000             -0.0004540        
  5  10459.6200000             -0.0016500        
  6   3775.5060000             -0.0053400        
  7   1472.0400000             -0.0155930        
  8    609.9331000             -0.0407240        
  9    265.2634000             -0.0920840        
 10    119.8607000             -0.1663640        
 11     55.4489100             -0.1858060        
 12     24.9837200              0.0458580        
 13     11.8805600              0.5080610        
 14      5.66031100             0.5069380        
 15      2.49570300             0.0942810        
 16      1.17786600            -0.0026620        
 17      0.520044000            0.0023620        
 18      0.115965000           -0.0005850        
 19      0.058938000            0.0004730        
S   19
  1 3321857.0000000             0.0000010        
  2 497435.6000000              0.0000070        
  3 113202.7000000              0.0000400        
  4  32063.3300000              0.0001650        
  5  10459.6200000              0.0006020        
  6   3775.5060000              0.0019490        
  7   1472.0400000              0.0057030        
  8    609.9331000              0.0150030        
  9    265.2634000              0.0343340        
 10    119.8607000              0.0640090        
 11     55.4489100              0.0749970        
 12     24.9837200             -0.0196020        
 13     11.8805600             -0.2870220        
 14      5.66031100            -0.4540940        
 15      2.49570300             0.0910300        
 16      1.17786600             0.7111500        
 17      0.520044000            0.4310330        
 18      0.115965000            0.0260820        
 19      0.058938000           -0.0114010        
S   18
  1 497435.6000000             -0.0000020        
  2 113202.7000000             -0.0000090        
  3  32063.3300000             -0.0000390        
  4  10459.6200000             -0.0001420        
  5   3775.5060000             -0.0004620        
  6   1472.0400000             -0.0013500        
  7    609.9331000             -0.0035550        
  8    265.2634000             -0.0081450        
  9    119.8607000             -0.0152360        
 10     55.4489100             -0.0179490        
 11     24.9837200              0.0046600        
 12     11.8805600              0.0722260        
 13      5.66031100             0.1216230        
 14      2.49570300            -0.0337280        
 15      1.17786600            -0.2473110        
 16      0.520044000           -0.2829190        
 17      0.115965000            0.3308530        
 18      0.058938000            0.5871420        
S   19
  1 3321857.0000000            -0.0000190        
  2 497435.6000000              0.0001450        
  3 113202.7000000             -0.0000960        
  4  32063.3300000             -0.0000400        
  5  10459.6200000             -0.0002700        
  6   3775.5060000             -0.0008590        
  7   1472.0400000             -0.0023670        
  8    609.9331000             -0.0068060        
  9    265.2634000             -0.0138760        
 10    119.8607000             -0.0305530        
 11     55.4489100             -0.0260690        
 12     24.9837200             -0.0092330        
 13     11.8805600              0.1779380        
 14      5.66031100             0.1543150        
 15      2.49570300             0.0921260        
 16      1.17786600            -1.0115070        
 17      0.520044000            0.2281550        
 18      0.115965000            2.1204380        
 19      0.058938000           -1.2643960        
S   19
  1 3321857.0000000            -0.0000440        
  2 497435.6000000              0.0002350        
  3 113202.7000000             -0.0007760        
  4  32063.3300000              0.0031230        
  5  10459.6200000             -0.0027770        
  6   3775.5060000             -0.0002450        
  7   1472.0400000             -0.0044220        
  8    609.9331000             -0.0108530        
  9    265.2634000             -0.0222110        
 10    119.8607000             -0.0513090        
 11     55.4489100             -0.0383960        
 12     24.9837200             -0.0274690        
 13     11.8805600              0.3348540        
 14      5.66031100             0.2493860        
 15      2.49570300             0.0638120        
 16      1.17786600            -2.4167250        
 17      0.520044000            2.6591510        
 18      0.115965000           -0.1076490        
 19      0.058938000           -2.1632850        
S   1
  1      0.026946000            1.0000000        
P   14
  1   5777.3770000              0.0001840        
  2   1368.6740000              0.0016110        
  3    444.1233000              0.0089330        
  4    169.0991000              0.0364080        
  5     71.1019100              0.1125600        
  6     31.9031100              0.2523880        
  7     14.8510900              0.3804890        
  8      7.08522700             0.3104780        
  9      3.32442200             0.0880800        
 10      1.54116400             0.0031980        
 11      0.690520000            0.0013680        
 12      0.285424000           -0.0003880        
 13      0.114200000            0.0002150        
 14      0.045700000           -0.0001030        
P   14
  1   5777.3770000             -0.0000630        
  2   1368.6740000             -0.0005500        
  3    444.1233000             -0.0030750        
  4    169.0991000             -0.0126800        
  5     71.1019100             -0.0404390        
  6     31.9031100             -0.0941680        
  7     14.8510900             -0.1514260        
  8      7.08522700            -0.1125800        
  9      3.32442200             0.1678610        
 10      1.54116400             0.4695080        
 11      0.690520000            0.4201240        
 12      0.285424000            0.1090000        
 13      0.114200000           -0.0012830        
 14      0.045700000            0.0029660        
P   14
  1   5777.3770000              0.0000190        
  2   1368.6740000              0.0001660        
  3    444.1233000              0.0009150        
  4    169.0991000              0.0038240        
  5     71.1019100              0.0120620        
  6     31.9031100              0.0286260        
  7     14.8510900              0.0453740        
  8      7.08522700             0.0357370        
  9      3.32442200            -0.0632290        
 10      1.54116400            -0.1621300        
 11      0.690520000           -0.2105220        
 12      0.285424000            0.1306620        
 13      0.114200000            0.7304420        
 14      0.045700000            0.2787350        
P   14
  1   5777.3770000             -0.0005020        
  2   1368.6740000              0.0005280        
  3    444.1233000              0.0018630        
  4    169.0991000              0.0074810        
  5     71.1019100              0.0254270        
  6     31.9031100              0.0547060        
  7     14.8510900              0.1035950        
  8      7.08522700             0.0621770        
  9      3.32442200            -0.1166360        
 10      1.54116400            -0.5464790        
 11      0.690520000           -0.1494390        
 12      0.285424000            1.3803190        
 13      0.114200000           -0.3515930        
 14      0.045700000           -0.6486200        
P   14
  1   5777.3770000             -0.0018770        
  2   1368.6740000              0.0085150        
  3    444.1233000             -0.0288330        
  4    169.0991000              0.0326910        
  5     71.1019100              0.0171180        
  6     31.9031100              0.0850580        
  7     14.8510900              0.1176090        
  8      7.08522700             0.1477620        
  9      3.32442200            -0.2850060        
 10      1.54116400            -1.1883840        
 11      0.690520000            1.8230990        
 12      0.285424000           -0.2143400        
 13      0.114200000           -1.4357020        
 14      0.045700000            1.3682950        
P   1
  1      0.018300000            1.0000000        
D   10
  1    155.8527000              0.0008550        
  2     46.4977100              0.0071660        
  3     17.6299900              0.0316240        
  4      7.35467200             0.0958440        
  5      3.27405100             0.2061640        
  6      1.48248200             0.3042010        
  7      0.661351000            0.3253210        
  8      0.284826000            0.2666120        
  9      0.112899000            0.1358370        
 10      0.045160000            0.0212920        
D   10
  1    155.8527000             -0.0009320        
  2     46.4977100             -0.0074970        
  3     17.6299900             -0.0340170        
  4      7.35467200            -0.1044940        
  5      3.27405100            -0.2226390        
  6      1.48248200            -0.2784230        
  7      0.661351000           -0.1178410        
  8      0.284826000            0.3542000        
  9      0.112899000            0.5302290        
 10      0.045160000            0.1566310        
D   10
  1    155.8527000              0.0014700        
  2     46.4977100              0.0116580        
  3     17.6299900              0.0542500        
  4      7.35467200             0.1709480        
  5      3.27405100             0.3434530        
  6      1.48248200             0.2393790        
  7      0.661351000           -0.5150960        
  8      0.284826000           -0.5469710        
  9      0.112899000            0.5516150        
 10      0.045160000            0.3451870        
D   10
  1    155.8527000             -0.0105810        
  2     46.4977100              0.0191830        
  3     17.6299900              0.0775000        
  4      7.35467200             0.2167100        
  5      3.27405100             0.4686440        
  6      1.48248200            -0.3055970        
  7      0.661351000           -0.9422950        
  8      0.284826000            1.0558660        
  9      0.112899000            0.0755570        
 10      0.045160000           -0.6885400        
F   6
  1      7.32420000             0.0261020        
  2      2.92970000             0.1169100        
  3      1.17190000             0.3217760        
  4      0.468800000            0.4782430        
  5      0.187500000            0.3204900        
  6      0.075000000            0.0645420        
F   6
  1      7.32420000            -0.0715170        
  2      2.92970000            -0.2948810        
  3      1.17190000            -0.5374860        
  4      0.468800000            0.0630260        
  5      0.187500000            0.5924440        
  6      0.075000000            0.1736520        
F   6
  1      7.32420000            -0.1519690        
  2      2.92970000            -0.5703090        
  3      1.17190000            -0.0422130        
  4      0.468800000            0.8695270        
  5      0.187500000           -0.4745790        
  6      0.075000000           -0.3905660        
G   4
  1      3.51160000             0.1037540        
  2      1.40630000             0.2939900        
  3      0.562500000            0.5433640        
  4      0.225000000            0.3550200        
G   4
  1      3.51160000            -0.3740200        
  2      1.40630000            -0.5442250        
  3      0.562500000            0.0610640        
  4      0.225000000            0.6522650        


name: Bauschlicher ANO
description: VQZ3P Valence Quadruple zeta + Polarization on All Atoms
elt: Cr
data:
CHROMIUM
S   19
  1 3638305.0000000             0.0000080        
  2 544822.5000000              0.0000690        
  3 123986.8000000              0.0003570        
  4  35117.8800000              0.0015160        
  5  11456.1000000              0.0054670        
  6   4135.2060000              0.0175730        
  7   1612.2950000              0.0500630        
  8    668.0686000              0.1242090        
  9    290.5773000              0.2508490        
 10    131.3286000              0.3590340        
 11     60.7870400              0.2753090        
 12     27.4430800              0.0656960        
 13     13.0820200             -0.0012120        
 14      6.24478600             0.0020050        
 15      2.75343700            -0.0009360        
 16      1.29844100             0.0004130        
 17      0.572030000           -0.0001640        
 18      0.125502000            0.0000600        
 19      0.062470000           -0.0000460        
S   19
  1 3638305.0000000            -0.0000020        
  2 544822.5000000             -0.0000210        
  3 123986.8000000             -0.0001050        
  4  35117.8800000             -0.0004610        
  5  11456.1000000             -0.0016340        
  6   4135.2060000             -0.0053730        
  7   1612.2950000             -0.0155600        
  8    668.0686000             -0.0408600        
  9    290.5773000             -0.0923280        
 10    131.3286000             -0.1674190        
 11     60.7870400             -0.1875970        
 12     27.4430800              0.0452330        
 13     13.0820200              0.5110610        
 14      6.24478600             0.5060510        
 15      2.75343700             0.0935090        
 16      1.29844100            -0.0027030        
 17      0.572030000            0.0023850        
 18      0.125502000           -0.0005120        
 19      0.062470000            0.0005600        
S   19
  1 3638305.0000000             0.0000010        
  2 544822.5000000              0.0000070        
  3 123986.8000000              0.0000400        
  4  35117.8800000              0.0001680        
  5  11456.1000000              0.0006090        
  6   4135.2060000              0.0019750        
  7   1612.2950000              0.0057760        
  8    668.0686000              0.0152140        
  9    290.5773000              0.0347430        
 10    131.3286000              0.0648480        
 11     60.7870400              0.0758880        
 12     27.4430800             -0.0189340        
 13     13.0820200             -0.2910820        
 14      6.24478600            -0.4534380        
 15      2.75343700             0.1058330        
 16      1.29844100             0.7133890        
 17      0.572030000            0.4213950        
 18      0.125502000            0.0246620        
 19      0.062470000           -0.0103660        
S   18
  1 544822.5000000             -0.0000020        
  2 123986.8000000             -0.0000100        
  3  35117.8800000             -0.0000370        
  4  11456.1000000             -0.0001450        
  5   4135.2060000             -0.0004530        
  6   1612.2950000             -0.0013500        
  7    668.0686000             -0.0035400        
  8    290.5773000             -0.0081070        
  9    131.3286000             -0.0152930        
 10     60.7870400             -0.0179660        
 11     27.4430800              0.0044190        
 12     13.0820200              0.0733370        
 13      6.24478600             0.1201460        
 14      2.75343700            -0.0366350        
 15      1.29844100            -0.2485760        
 16      0.572030000           -0.2680550        
 17      0.125502000            0.3411730        
 18      0.062470000            0.5717320        
S   19
  1 3638305.0000000            -0.0000180        
  2 544822.5000000              0.0001450        
  3 123986.8000000             -0.0000940        
  4  35117.8800000             -0.0000450        
  5  11456.1000000             -0.0002650        
  6   4135.2060000             -0.0008960        
  7   1612.2950000             -0.0023080        
  8    668.0686000             -0.0070830        
  9    290.5773000             -0.0137210        
 10    131.3286000             -0.0316050        
 11     60.7870400             -0.0259620        
 12     27.4430800             -0.0105320        
 13     13.0820200              0.1836460        
 14      6.24478600             0.1543130        
 15      2.75343700             0.0838750        
 16      1.29844100            -1.0234030        
 17      0.572030000            0.2702410        
 18      0.125502000            2.0496330        
 19      0.062470000           -1.2396370        
S   19
  1 3638305.0000000            -0.0000450        
  2 544822.5000000              0.0002440        
  3 123986.8000000             -0.0008090        
  4  35117.8800000              0.0032340        
  5  11456.1000000             -0.0028840        
  6   4135.2060000             -0.0001770        
  7   1612.2950000             -0.0046670        
  8    668.0686000             -0.0109050        
  9    290.5773000             -0.0231300        
 10    131.3286000             -0.0525940        
 11     60.7870400             -0.0405610        
 12     27.4430800             -0.0271300        
 13     13.0820200              0.3454410        
 14      6.24478600             0.2644550        
 15      2.75343700             0.0015890        
 16      1.29844100            -2.3747930        
 17      0.572030000            2.6869120        
 18      0.125502000           -0.3100280        
 19      0.062470000           -1.8728930        
S   1
  1      0.028354000            1.0000000        
P   14
  1   6399.3330000              0.0001810        
  2   1515.9820000              0.0015880        
  3    491.9534000              0.0088140        
  4    187.3677000              0.0360380        
  5     78.8290300              0.1118300        
  6     35.4059700              0.2519820        
  7     16.5119500              0.3808310        
  8      7.89501000             0.3103820        
  9      3.71330500             0.0881100        
 10      1.72422000             0.0034700        
 11      0.772673000            0.0014900        
 12      0.319507000           -0.0003190        
 13      0.127800000            0.0002290        
 14      0.051100000           -0.0001010        
P   14
  1   6399.3330000             -0.0000630        
  2   1515.9820000             -0.0005510        
  3    491.9534000             -0.0030820        
  4    187.3677000             -0.0127490        
  5     78.8290300             -0.0408300        
  6     35.4059700             -0.0956270        
  7     16.5119500             -0.1543540        
  8      7.89501000            -0.1130180        
  9      3.71330500             0.1724510        
 10      1.72422000             0.4710540        
 11      0.772673000            0.4161220        
 12      0.319507000            0.1080270        
 13      0.127800000           -0.0011950        
 14      0.051100000            0.0028750        
P   14
  1   6399.3330000              0.0000180        
  2   1515.9820000              0.0001670        
  3    491.9534000              0.0009180        
  4    187.3677000              0.0038490        
  5     78.8290300              0.0122140        
  6     35.4059700              0.0290820        
  7     16.5119500              0.0465370        
  8      7.89501000             0.0356780        
  9      3.71330500            -0.0647240        
 10      1.72422000            -0.1670100        
 11      0.772673000           -0.2021200        
 12      0.319507000            0.1354420        
 13      0.127800000            0.7147460        
 14      0.051100000            0.2900280        
P   14
  1   6399.3330000             -0.0005280        
  2   1515.9820000              0.0005680        
  3    491.9534000              0.0018690        
  4    187.3677000              0.0079430        
  5     78.8290300              0.0260560        
  6     35.4059700              0.0593140        
  7     16.5119500              0.1044870        
  8      7.89501000             0.0722640        
  9      3.71330500            -0.1400220        
 10      1.72422000            -0.5652980        
 11      0.772673000           -0.0887580        
 12      0.319507000            1.3405920        
 13      0.127800000           -0.3495210        
 14      0.051100000           -0.6328330        
P   14
  1   6399.3330000              0.0011070        
  2   1515.9820000             -0.0056210        
  3    491.9534000              0.0060130        
  4    187.3677000              0.0087100        
  5     78.8290300              0.0344810        
  6     35.4059700              0.0782690        
  7     16.5119500              0.1414340        
  8      7.89501000             0.1329410        
  9      3.71330500            -0.3204930        
 10      1.72422000            -1.1942500        
 11      0.772673000            1.9719130        
 12      0.319507000           -0.4528500        
 13      0.127800000           -1.2284480        
 14      0.051100000            1.2405270        
P   1
  1      0.020400000            1.0000000        
D   10
  1    177.0182000              0.0008670        
  2     52.8595800              0.0073270        
  3     20.0906400              0.0327220        
  4      8.41637600             0.0995400        
  5      3.75931000             0.2129680        
  6      1.70675900             0.3105410        
  7      0.762211000            0.3257580        
  8      0.327886000            0.2585280        
  9      0.129421000            0.1236680        
 10      0.051770000            0.0161050        
D   10
  1    177.0182000             -0.0009940        
  2     52.8595800             -0.0082640        
  3     20.0906400             -0.0375000        
  4      8.41637600            -0.1171710        
  5      3.75931000            -0.2459770        
  6      1.70675900            -0.2860430        
  7      0.762211000           -0.0672530        
  8      0.327886000            0.4037040        
  9      0.129421000            0.4938930        
 10      0.051770000            0.1186520        
D   10
  1    177.0182000              0.0013680        
  2     52.8595800              0.0122680        
  3     20.0906400              0.0545570        
  4      8.41637600             0.1805050        
  5      3.75931000             0.3505720        
  6      1.70675900             0.1970150        
  7      0.762211000           -0.5861640        
  8      0.327886000           -0.4542660        
  9      0.129421000            0.6278070        
 10      0.051770000            0.2825020        
D   10
  1    177.0182000             -0.0130900        
  2     52.8595800              0.0261440        
  3     20.0906400              0.0732210        
  4      8.41637600             0.2890160        
  5      3.75931000             0.4814710        
  6      1.70675900            -0.5248770        
  7      0.762211000           -0.7828960        
  8      0.327886000            1.2048680        
  9      0.129421000           -0.2453400        
 10      0.051770000           -0.4952900        
F   6
  1      9.88210000             0.0231830        
  2      3.95280000             0.1179440        
  3      1.58110000             0.3367100        
  4      0.632500000            0.4713210        
  5      0.253000000            0.3109110        
  6      0.101200000            0.0695530        
F   6
  1      9.88210000            -0.0554940        
  2      3.95280000            -0.2712590        
  3      1.58110000            -0.5269810        
  4      0.632500000            0.0288370        
  5      0.253000000            0.6027780        
  6      0.101200000            0.2130580        
F   6
  1      9.88210000            -0.1356710        
  2      3.95280000            -0.5208720        
  3      1.58110000            -0.1675060        
  4      0.632500000            0.9100310        
  5      0.253000000           -0.3907020        
  6      0.101200000           -0.4541490        
G   4
  1      4.74340000             0.0982690        
  2      1.89740000             0.3065980        
  3      0.758900000            0.5281240        
  4      0.303600000            0.3650500        
G   4
  1      4.74340000            -0.3289060        
  2      1.89740000            -0.5461430        
  3      0.758900000            0.0055460        
  4      0.303600000            0.7033390        


name: Bauschlicher ANO
description: VQZ3P Valence Quadruple zeta + Polarization on All Atoms
elt: Mn
data:
MANGANESE
S   19
  1 3960805.0000000             0.0000090        
  2 593115.4000000              0.0000680        
  3 134976.8000000              0.0003570        
  4  38230.6600000              0.0015070        
  5  12471.5400000              0.0054570        
  6   4501.7430000              0.0175000        
  7   1755.2120000              0.0499350        
  8    727.3039000              0.1238810        
  9    316.3677000              0.2504960        
 10    143.0098000              0.3589600        
 11     66.2180400              0.2759010        
 12     29.9189600              0.0659600        
 13     14.3031700             -0.0012360        
 14      6.83945000             0.0019540        
 15      3.01237400            -0.0009040        
 16      1.41880800             0.0003930        
 17      0.623624500           -0.0001550        
 18      0.134097700            0.0000590        
 19      0.065548400           -0.0000470        
S   19
  1 3960805.0000000            -0.0000030        
  2 593115.4000000             -0.0000210        
  3 134976.8000000             -0.0001080        
  4  38230.6600000             -0.0004550        
  5  12471.5400000             -0.0016550        
  6   4501.7430000             -0.0053580        
  7   1755.2120000             -0.0156560        
  8    727.3039000             -0.0409520        
  9    316.3677000             -0.0928710        
 10    143.0098000             -0.1684250        
 11     66.2180400             -0.1891890        
 12     29.9189600              0.0461680        
 13     14.3031700              0.5147100        
 14      6.83945000             0.5042000        
 15      3.01237400             0.0918350        
 16      1.41880800            -0.0025520        
 17      0.623624500            0.0022750        
 18      0.134097700           -0.0005200        
 19      0.065548400            0.0004180        
S   19
  1 3960805.0000000             0.0000010        
  2 593115.4000000              0.0000080        
  3 134976.8000000              0.0000410        
  4  38230.6600000              0.0001690        
  5  12471.5400000              0.0006180        
  6   4501.7430000              0.0020060        
  7   1755.2120000              0.0058670        
  8    727.3039000              0.0154730        
  9    316.3677000              0.0354900        
 10    143.0098000              0.0664850        
 11     66.2180400              0.0782960        
 12     29.9189600             -0.0201140        
 13     14.3031700             -0.3031460        
 14      6.83945000            -0.4593170        
 15      3.01237400             0.1211250        
 16      1.41880800             0.7170490        
 17      0.623624500            0.4093250        
 18      0.134097700            0.0223020        
 19      0.065548400           -0.0093180        
S   18
  1 593115.4000000             -0.0000020        
  2 134976.8000000             -0.0000090        
  3  38230.6600000             -0.0000380        
  4  12471.5400000             -0.0001390        
  5   4501.7430000             -0.0004520        
  6   1755.2120000             -0.0013220        
  7    727.3039000             -0.0034960        
  8    316.3677000             -0.0080110        
  9    143.0098000             -0.0151260        
 10     66.2180400             -0.0178180        
 11     29.9189600              0.0043900        
 12     14.3031700              0.0736250        
 13      6.83945000             0.1170650        
 14      3.01237400            -0.0397410        
 15      1.41880800            -0.2457530        
 16      0.623624500           -0.2533670        
 17      0.134097700            0.3479610        
 18      0.065548400            0.5582180        
S   19
  1 3960805.0000000            -0.0000190        
  2 593115.4000000              0.0001480        
  3 134976.8000000             -0.0000980        
  4  38230.6600000             -0.0000400        
  5  12471.5400000             -0.0002750        
  6   4501.7430000             -0.0008700        
  7   1755.2120000             -0.0024040        
  8    727.3039000             -0.0069170        
  9    316.3677000             -0.0141620        
 10    143.0098000             -0.0313210        
 11     66.2180400             -0.0268830        
 12     29.9189600             -0.0098280        
 13     14.3031700              0.1856530        
 14      6.83945000             0.1545620        
 15      3.01237400             0.0751830        
 16      1.41880800            -1.0302630        
 17      0.623624500            0.3096290        
 18      0.134097700            1.9829160        
 19      0.065548400           -1.2104420        
S   19
  1 3960805.0000000            -0.0000470        
  2 593115.4000000              0.0002500        
  3 134976.8000000             -0.0008270        
  4  38230.6600000              0.0032850        
  5  12471.5400000             -0.0029130        
  6   4501.7430000             -0.0002120        
  7   1755.2120000             -0.0046470        
  8    727.3039000             -0.0111310        
  9    316.3677000             -0.0233830        
 10    143.0098000             -0.0531290        
 11     66.2180400             -0.0425720        
 12     29.9189600             -0.0233680        
 13     14.3031700              0.3425360        
 14      6.83945000             0.2884580        
 15      3.01237400            -0.0701550        
 16      1.41880800            -2.2968420        
 17      0.623624500            2.6637880        
 18      0.134097700           -0.4120040        
 19      0.065548400           -1.7031880        
S   1
  1      0.029584100            1.0000000        
P   14
  1   7048.2710000              0.0001780        
  2   1669.6780000              0.0015670        
  3    541.8570000              0.0087150        
  4    206.4294000              0.0357160        
  5     86.8933300              0.1112150        
  6     39.0630900              0.2516050        
  7     18.2472500              0.3812310        
  8      8.74128900             0.3102900        
  9      4.11933200             0.0881210        
 10      1.91480300             0.0035990        
 11      0.857893100            0.0014520        
 12      0.354950400           -0.0003340        
 13      0.142000000            0.0002060        
 14      0.056800000           -0.0000970        
P   14
  1   7048.2710000             -0.0000620        
  2   1669.6780000             -0.0005460        
  3    541.8570000             -0.0030600        
  4    206.4294000             -0.0126910        
  5     86.8933300             -0.0408120        
  6     39.0630900             -0.0960940        
  7     18.2472500             -0.1556860        
  8      8.74128900            -0.1121030        
  9      4.11933200             0.1772490        
 10      1.91480300             0.4732630        
 11      0.857893100            0.4122300        
 12      0.354950400            0.1059970        
 13      0.142000000           -0.0010760        
 14      0.056800000            0.0027780        
P   14
  1   7048.2710000              0.0000190        
  2   1669.6780000              0.0001690        
  3    541.8570000              0.0009400        
  4    206.4294000              0.0039120        
  5     86.8933300              0.0125570        
  6     39.0630900              0.0298650        
  7     18.2472500              0.0483480        
  8      8.74128900             0.0357870        
  9      4.11933200            -0.0673130        
 10      1.91480300            -0.1750630        
 11      0.857893100           -0.1929800        
 12      0.354950400            0.1473580        
 13      0.142000000            0.6966740        
 14      0.056800000            0.2977570        
P   14
  1   7048.2710000             -0.0005510        
  2   1669.6780000              0.0005940        
  3    541.8570000              0.0019250        
  4    206.4294000              0.0083020        
  5     86.8933300              0.0271240        
  6     39.0630900              0.0626350        
  7     18.2472500              0.1087480        
  8      8.74128900             0.0773490        
  9      4.11933200            -0.1601190        
 10      1.91480300            -0.5886300        
 11      0.857893100           -0.0166640        
 12      0.354950400            1.2923220        
 13      0.142000000           -0.3487710        
 14      0.056800000           -0.6187230        
P   14
  1   7048.2710000              0.0011770        
  2   1669.6780000             -0.0059960        
  3    541.8570000              0.0062810        
  4    206.4294000              0.0099600        
  5     86.8933300              0.0352770        
  6     39.0630900              0.0907060        
  7     18.2472500              0.1369020        
  8      8.74128900             0.1772440        
  9      4.11933200            -0.4657980        
 10      1.91480300            -1.0648320        
 11      0.857893100            2.0142020        
 12      0.354950400           -0.6305200        
 13      0.142000000           -1.0607130        
 14      0.056800000            1.1433540        
P   1
  1      0.022700000            1.0000000        
D   10
  1    199.8357000              0.0008660        
  2     59.7217600              0.0073830        
  3     22.7477200              0.0333380        
  4      9.56500200             0.1018690        
  5      4.28549900             0.2169620        
  6      1.95097400             0.3129060        
  7      0.872796100            0.3232470        
  8      0.375621100            0.2526090        
  9      0.148009300            0.1215050        
 10      0.059200000            0.0199170        
D   10
  1    199.8357000             -0.0009210        
  2     59.7217600             -0.0072500        
  3     22.7477200             -0.0340010        
  4      9.56500200            -0.1055010        
  5      4.28549900            -0.2254270        
  6      1.95097400            -0.2707750        
  7      0.872796100           -0.0774240        
  8      0.375621100            0.3533060        
  9      0.148009300            0.5037700        
 10      0.059200000            0.1930750        
D   10
  1    199.8357000             -0.0012720        
  2     59.7217600             -0.0124210        
  3     22.7477200             -0.0537090        
  4      9.56500200            -0.1806050        
  5      4.28549900            -0.3526410        
  6      1.95097400            -0.1958530        
  7      0.872796100            0.5047050        
  8      0.375621100            0.5004020        
  9      0.148009300           -0.4638160        
 10      0.059200000           -0.4114120        
D   10
  1    199.8357000             -0.0122750        
  2     59.7217600              0.0268870        
  3     22.7477200              0.0466160        
  4      9.56500200             0.2714860        
  5      4.28549900             0.4423010        
  6      1.95097400            -0.3710160        
  7      0.872796100           -0.8230460        
  8      0.375621100            0.9126160        
  9      0.148009300            0.2178470        
 10      0.059200000           -0.7426680        
F   6
  1     13.6719000              0.0162390        
  2      5.46875000             0.0934840        
  3      2.18750000             0.3091030        
  4      0.875000000            0.4679660        
  5      0.350000000            0.3389080        
  6      0.140000000            0.1067010        
F   6
  1     13.6719000             -0.0355690        
  2      5.46875000            -0.2125460        
  3      2.18750000            -0.5167550        
  4      0.875000000           -0.1034990        
  5      0.350000000            0.5524340        
  6      0.140000000            0.3398070        
F   6
  1     13.6719000             -0.0625120        
  2      5.46875000            -0.4537550        
  3      2.18750000            -0.3517690        
  4      0.875000000            0.7965630        
  5      0.350000000            0.0076880        
  6      0.140000000           -0.6807650        
G   4
  1      6.56300000             0.0573610        
  2      2.62500000             0.2864820        
  3      1.05000000             0.5019790        
  4      0.420000000            0.4346660        
G   4
  1      6.56300000            -0.2209460        
  2      2.62500000            -0.5654790        
  3      1.05000000            -0.1683570        
  4      0.420000000            0.7828370        


name: Bauschlicher ANO
description: VQZ3P Valence Quadruple zeta + Polarization on All Atoms
elt: Fe
data:
IRON
S   19
  1 4316265.3000000             0.0000090        
  2 646342.4200000              0.0000670        
  3 147089.7300000              0.0003540        
  4  41661.5220000              0.0014940        
  5  13590.7650000              0.0054110        
  6   4905.7500000              0.0173530        
  7   1912.7458000              0.0495400        
  8    792.6043400              0.1230350        
  9    344.8064800              0.2492930        
 10    155.8998900              0.3585720        
 11     72.2309080              0.2774790        
 12     32.7250650              0.0671930        
 13     15.6676220             -0.0011560        
 14      7.50348280             0.0019320        
 15      3.31222330            -0.0008920        
 16      1.55847120             0.0003860        
 17      0.683913700           -0.0001510        
 18      0.146756700            0.0000560        
 19      0.070583400           -0.0000440        
S   19
  1 4316265.3000000             0.0000030        
  2 646342.4200000              0.0000200        
  3 147089.7300000              0.0001080        
  4  41661.5220000              0.0004540        
  5  13590.7650000              0.0016500        
  6   4905.7500000              0.0053420        
  7   1912.7458000              0.0156190        
  8    792.6043400              0.0408890        
  9    344.8064800              0.0929110        
 10    155.8998900              0.1689460        
 11     72.2309080              0.1910010        
 12     32.7250650             -0.0440020        
 13     15.6676220             -0.5154830        
 14      7.50348280            -0.5051730        
 15      3.31222330            -0.0922990        
 16      1.55847120             0.0024090        
 17      0.683913700           -0.0022620        
 18      0.146756700            0.0004680        
 19      0.070583400           -0.0004180        
S   19
  1 4316265.3000000             0.0000010        
  2 646342.4200000              0.0000080        
  3 147089.7300000              0.0000400        
  4  41661.5220000              0.0001670        
  5  13590.7650000              0.0006080        
  6   4905.7500000              0.0019740        
  7   1912.7458000              0.0057800        
  8    792.6043400              0.0152520        
  9    344.8064800              0.0350560        
 10    155.8998900              0.0658830        
 11     72.2309080              0.0781560        
 12     32.7250650             -0.0189120        
 13     15.6676220             -0.3032160        
 14      7.50348280            -0.4576420        
 15      3.31222330             0.1284210        
 16      1.55847120             0.7173930        
 17      0.683913700            0.4035530        
 18      0.146756700            0.0231450        
 19      0.070583400           -0.0055060        
S   18
  1 646342.4200000             -0.0000020        
  2 147089.7300000             -0.0000090        
  3  41661.5220000             -0.0000390        
  4  13590.7650000             -0.0001420        
  5   4905.7500000             -0.0004600        
  6   1912.7458000             -0.0013460        
  7    792.6043400             -0.0035610        
  8    344.8064800             -0.0081790        
  9    155.8998900             -0.0154840        
 10     72.2309080             -0.0183720        
 11     32.7250650              0.0042640        
 12     15.6676220              0.0756280        
 13      7.50348280             0.1188730        
 14      3.31222330            -0.0419860        
 15      1.55847120            -0.2475120        
 16      0.683913700           -0.2492100        
 17      0.146756700            0.3405010        
 18      0.070583400            0.5641510        
S   18
  1 646342.4200000             -0.0000040        
  2 147089.7300000             -0.0000190        
  3  41661.5220000             -0.0000820        
  4  13590.7650000             -0.0002810        
  5   4905.7500000             -0.0009810        
  6   1912.7458000             -0.0026260        
  7    792.6043400             -0.0077430        
  8    344.8064800             -0.0154940        
  9    155.8998900             -0.0354190        
 10     72.2309080             -0.0292210        
 11     32.7250650             -0.0133990        
 12     15.6676220              0.2119880        
 13      7.50348280             0.1691430        
 14      3.31222330             0.0742020        
 15      1.55847120            -1.1776270        
 16      0.683913700            0.4727140        
 17      0.146756700            1.9969190        
 18      0.070583400           -1.4279300        
S   19
  1 4316265.3000000            -0.0000010        
  2 646342.4200000             -0.0000060        
  3 147089.7300000             -0.0000320        
  4  41661.5220000             -0.0001380        
  5  13590.7650000             -0.0004830        
  6   4905.7500000             -0.0016450        
  7   1912.7458000             -0.0045450        
  8    792.6043400             -0.0129050        
  9    344.8064800             -0.0272110        
 10    155.8998900             -0.0584350        
 11     72.2309080             -0.0559870        
 12     32.7250650             -0.0097930        
 13     15.6676220              0.3524110        
 14      7.50348280             0.4550880        
 15      3.31222330            -0.4462180        
 16      1.55847120            -2.1706560        
 17      0.683913700            2.9960310        
 18      0.146756700           -1.5690770        
 19      0.070583400           -0.1978130        
S   1
  1      0.031448900            1.0000000        
P   14
  1   7721.4886000              0.0001770        
  2   1829.1258000              0.0015510        
  3    593.6279500              0.0086400        
  4    226.2053600              0.0354860        
  5     95.2614540              0.1108190        
  6     42.8592030              0.2515690        
  7     20.0497130              0.3816780        
  8      9.62088520             0.3098840        
  9      4.54137050             0.0878060        
 10      2.11350010             0.0037230        
 11      0.947200800            0.0015140        
 12      0.391242800           -0.0002850        
 13      0.156480000            0.0002120        
 14      0.062592000           -0.0000950        
P   14
  1   7721.4886000              0.0000640        
  2   1829.1258000              0.0005600        
  3    593.6279500              0.0031430        
  4    226.2053600              0.0130610        
  5     95.2614540              0.0421130        
  6     42.8592030              0.0994930        
  7     20.0497130              0.1613260        
  8      9.62088520             0.1146190        
  9      4.54137050            -0.1812660        
 10      2.11350010            -0.4753580        
 11      0.947200800           -0.4081460        
 12      0.391242800           -0.1041540        
 13      0.156480000            0.0010940        
 14      0.062592000           -0.0027330        
P   14
  1   7721.4886000              0.0000210        
  2   1829.1258000              0.0001850        
  3    593.6279500              0.0010300        
  4    226.2053600              0.0043160        
  5     95.2614540              0.0138510        
  6     42.8592030              0.0331730        
  7     20.0497130              0.0537290        
  8      9.62088520             0.0393980        
  9      4.54137050            -0.0774690        
 10      2.11350010            -0.2003690        
 11      0.947200800           -0.1915680        
 12      0.391242800            0.2077530        
 13      0.156480000            0.6868330        
 14      0.062592000            0.2589470        
P   14
  1   7721.4886000              0.0000440        
  2   1829.1258000              0.0003780        
  3    593.6279500              0.0021520        
  4    226.2053600              0.0088440        
  5     95.2614540              0.0290190        
  6     42.8592030              0.0677810        
  7     20.0497130              0.1157620        
  8      9.62088520             0.0882350        
  9      4.54137050            -0.1946800        
 10      2.11350010            -0.6473280        
 11      0.947200800            0.1440590        
 12      0.391242800            1.2223770        
 13      0.156480000           -0.4454910        
 14      0.062592000           -0.5577910        
P   14
  1   7721.4886000             -0.0000560        
  2   1829.1258000             -0.0005120        
  3    593.6279500             -0.0027830        
  4    226.2053600             -0.0120200        
  5     95.2614540             -0.0373100        
  6     42.8592030             -0.0933430        
  7     20.0497130             -0.1463780        
  8      9.62088520            -0.2023010        
  9      4.54137050             0.6033780        
 10      2.11350010             0.9274970        
 11      0.947200800           -2.1152770        
 12      0.391242800            0.9641220        
 13      0.156480000            0.7716910        
 14      0.062592000           -1.0407230        
P   1
  1      0.025037000            1.0000000        
D   10
  1    217.3688300             -0.0009160        
  2     64.9997550             -0.0078140        
  3     24.7731370             -0.0353740        
  4     10.4361400             -0.1076990        
  5      4.67965330            -0.2252210        
  6      2.12562250            -0.3168990        
  7      0.945242100           -0.3203640        
  8      0.402685300           -0.2468990        
  9      0.156651000           -0.1160740        
 10      0.062660000           -0.0148530        
D   10
  1    217.3688300             -0.0010010        
  2     64.9997550             -0.0085460        
  3     24.7731370             -0.0390910        
  4     10.4361400             -0.1216260        
  5      4.67965330            -0.2556750        
  6      2.12562250            -0.2837140        
  7      0.945242100           -0.0227630        
  8      0.402685300            0.4183690        
  9      0.156651000            0.4725140        
 10      0.062660000            0.1139850        
D   10
  1    217.3688300             -0.0014840        
  2     64.9997550             -0.0129050        
  3     24.7731370             -0.0592710        
  4     10.4361400             -0.1956080        
  5      4.67965330            -0.3810610        
  6      2.12562250            -0.1237830        
  7      0.945242100            0.6368990        
  8      0.402685300            0.3368010        
  9      0.156651000           -0.6003180        
 10      0.062660000           -0.2638520        
D   10
  1    217.3688300             -0.0019790        
  2     64.9997550             -0.0175070        
  3     24.7731370             -0.0807470        
  4     10.4361400             -0.2934760        
  5      4.67965330            -0.5012910        
  6      2.12562250             0.7040080        
  7      0.945242100            0.5589080        
  8      0.402685300           -1.1456490        
  9      0.156651000            0.3097490        
 10      0.062660000            0.4619530        
F   6
  1     16.9972000              0.0132730        
  2      6.79890000             0.0794550        
  3      2.71960000             0.2906030        
  4      1.08780000             0.4660450        
  5      0.435100000            0.3551630        
  6      0.174100000            0.1259100        
F   6
  1     16.9972000              0.0276820        
  2      6.79890000             0.1891930        
  3      2.71960000             0.5224970        
  4      1.08780000             0.1505990        
  5      0.435100000           -0.5269540        
  6      0.174100000           -0.3735000        
F   6
  1     16.9972000             -0.0434200        
  2      6.79890000            -0.4086880        
  3      2.71960000            -0.4554720        
  4      1.08780000             0.8252990        
  5      0.435100000            0.0439680        
  6      0.174100000           -0.6845860        
G   4
  1      8.1590000              0.0083660        
  2      3.2630000              0.0581100        
  3      1.3050000              0.1077200        
  4      0.5220000              0.0838760        
G   4
  1      8.1590000              0.0387310        
  2      3.2630000              0.1278180        
  3      1.3050000              0.0205990        
  4      0.5220000             -0.1529310        


name: Bauschlicher ANO
description: VQZ3P Valence Quadruple zeta + Polarization on All Atoms
elt: Co
data:
COBALT
S   19
  1 4676708.0000000             0.0000090        
  2 700317.2000000              0.0000670        
  3 159373.0000000              0.0003520        
  4  45140.6700000              0.0014860        
  5  14725.7500000              0.0053830        
  6   5315.4480000              0.0172650        
  7   2072.4980000              0.0493040        
  8    858.8231000              0.1225350        
  9    373.6437000              0.2486040        
 10    168.9682000              0.3583790        
 11     78.3197100              0.2784110        
 12     35.5372400              0.0678580        
 13     17.0473500             -0.0011550        
 14      8.17553400             0.0019200        
 15      3.61157800            -0.0008860        
 16      1.69746800             0.0003810        
 17      0.743636000           -0.0001470        
 18      0.158325000            0.0000530        
 19      0.075009000           -0.0000420        
S   19
  1 4676708.0000000            -0.0000030        
  2 700317.2000000             -0.0000200        
  3 159373.0000000             -0.0001080        
  4  45140.6700000             -0.0004540        
  5  14725.7500000             -0.0016500        
  6   5315.4480000             -0.0053420        
  7   2072.4980000             -0.0156240        
  8    858.8231000             -0.0409290        
  9    373.6437000             -0.0931280        
 10    168.9682000             -0.1696540        
 11     78.3197100             -0.1924520        
 12     35.5372400              0.0434750        
 13     17.0473500              0.5173620        
 14      8.17553400             0.5046620        
 15      3.61157800             0.0919870        
 16      1.69746800            -0.0023130        
 17      0.743636000            0.0022120        
 18      0.158325000           -0.0004700        
 19      0.075009000            0.0003710        
S   19
  1 4676708.0000000             0.0000010        
  2 700317.2000000              0.0000080        
  3 159373.0000000              0.0000400        
  4  45140.6700000              0.0001680        
  5  14725.7500000              0.0006140        
  6   5315.4480000              0.0019910        
  7   2072.4980000              0.0058330        
  8    858.8231000              0.0154000        
  9    373.6437000              0.0354650        
 10    168.9682000              0.0668170        
 11     78.3197100              0.0796010        
 12     35.5372400             -0.0189610        
 13     17.0473500             -0.3094440        
 14      8.17553400            -0.4600160        
 15      3.61157800             0.1368940        
 16      1.69746800             0.7194640        
 17      0.743636000            0.3994650        
 18      0.158325000            0.0209270        
 19      0.075009000           -0.0080760        
S   18
  1 700317.2000000             -0.0000020        
  2 159373.0000000             -0.0000090        
  3  45140.6700000             -0.0000370        
  4  14725.7500000             -0.0001350        
  5   5315.4480000             -0.0004380        
  6   2072.4980000             -0.0012810        
  7    858.8231000             -0.0033910        
  8    373.6437000             -0.0078010        
  9    168.9682000             -0.0148030        
 10     78.3197100             -0.0176340        
 11     35.5372400              0.0040080        
 12     17.0473500              0.0729060        
 13      8.17553400             0.1128030        
 14      3.61157800            -0.0421840        
 15      1.69746800            -0.2363110        
 16      0.743636000           -0.2356360        
 17      0.158325000            0.3223620        
 18      0.075009000            0.5492220        
S   19
  1 4676708.0000000            -0.0000180        
  2 700317.2000000              0.0001400        
  3 159373.0000000             -0.0000930        
  4  45140.6700000             -0.0000370        
  5  14725.7500000             -0.0002630        
  6   5315.4480000             -0.0008140        
  7   2072.4980000             -0.0022980        
  8    858.8231000             -0.0064800        
  9    373.6437000             -0.0136710        
 10    168.9682000             -0.0293830        
 11     78.3197100             -0.0271740        
 12     35.5372400             -0.0073540        
 13     17.0473500              0.1729110        
 14      8.17553400             0.1564700        
 15      3.61157800             0.0362580        
 16      1.69746800            -0.9086760        
 17      0.743636000            0.2422690        
 18      0.158325000            1.7114780        
 19      0.075009000           -0.7379460        
S   19
  1 4676708.0000000            -0.0000490        
  2 700317.2000000              0.0002610        
  3 159373.0000000             -0.0008630        
  4  45140.6700000              0.0034320        
  5  14725.7500000             -0.0030530        
  6   5315.4480000             -0.0001800        
  7   2072.4980000             -0.0049730        
  8    858.8231000             -0.0113150        
  9    373.6437000             -0.0254240        
 10    168.9682000             -0.0537970        
 11     78.3197100             -0.0506890        
 12     35.5372400             -0.0131600        
 13     17.0473500              0.3281010        
 14      8.17553400             0.3765660        
 15      3.61157800            -0.2240640        
 16      1.69746800            -2.1689710        
 17      0.743636000            2.5562920        
 18      0.158325000           -0.2407220        
 19      0.075009000           -1.7381830        
S   1
  1      0.033093000            1.0000000        
P   14
  1   8421.8420000              0.0001750        
  2   1995.0000000              0.0015380        
  3    647.4855000              0.0085750        
  4    246.7795000              0.0352900        
  5    103.9689000              0.1104860        
  6     46.8105200              0.2515630        
  7     21.9270300              0.3820890        
  8     10.5371500              0.3094570        
  9      4.98067800             0.0875720        
 10      2.31982400             0.0038260        
 11      1.03960900             0.0015120        
 12      0.428921000           -0.0002850        
 13      0.171568000            0.0002010        
 14      0.068627000           -0.0000930        
P   14
  1   8421.8420000             -0.0000620        
  2   1995.0000000             -0.0005480        
  3    647.4855000             -0.0030850        
  4    246.7795000             -0.0128450        
  5    103.9689000             -0.0415730        
  6     46.8105200             -0.0986590        
  7     21.9270300             -0.1604430        
  8     10.5371500             -0.1118850        
  9      4.98067800             0.1858860        
 10      2.31982400             0.4767220        
 11      1.03960900             0.4051130        
 12      0.428921000            0.1025550        
 13      0.171568000           -0.0011280        
 14      0.068627000            0.0027220        
P   14
  1   8421.8420000              0.0000210        
  2   1995.0000000              0.0001930        
  3    647.4855000              0.0010500        
  4    246.7795000              0.0044320        
  5    103.9689000              0.0142600        
  6     46.8105200              0.0342400        
  7     21.9270300              0.0558980        
  8     10.5371500              0.0401140        
  9      4.98067800            -0.0813500        
 10      2.31982400            -0.2116320        
 11      1.03960900            -0.1783370        
 12      0.428921000            0.2204390        
 13      0.171568000            0.6689170        
 14      0.068627000            0.2641920        
P   14
  1   8421.8420000             -0.0006140        
  2   1995.0000000              0.0006570        
  3    647.4855000              0.0021060        
  4    246.7795000              0.0093770        
  5    103.9689000              0.0301640        
  6     46.8105200              0.0717530        
  7     21.9270300              0.1202900        
  8     10.5371500              0.0954350        
  9      4.98067800            -0.2221380        
 10      2.31982400            -0.6700780        
 11      1.03960900             0.2294320        
 12      0.428921000            1.1640430        
 13      0.171568000           -0.4540760        
 14      0.068627000           -0.5354030        
P   14
  1   8421.8420000              0.0012890        
  2   1995.0000000             -0.0065670        
  3    647.4855000              0.0071350        
  4    246.7795000              0.0105190        
  5    103.9689000              0.0363230        
  6     46.8105200              0.0993010        
  7     21.9270300              0.1405380        
  8     10.5371500              0.2319080        
  9      4.98067800            -0.7076010        
 10      2.31982400            -0.7811120        
 11      1.03960900             2.0593740        
 12      0.428921000           -1.0262420        
 13      0.171568000           -0.7029620        
 14      0.068627000            1.0030000        
P   1
  1      0.027451000            1.0000000        
D   10
  1    237.5928000              0.0009450        
  2     71.0888100              0.0080860        
  3     27.1190300              0.0367620        
  4     11.4482600              0.1117190        
  5      5.13954200             0.2308580        
  6      2.33269400             0.3192220        
  7      1.03403000             0.3184700        
  8      0.437899000            0.2419950        
  9      0.168963000            0.1132610        
 10      0.058088000            0.0127700        
D   10
  1    237.5928000             -0.0011250        
  2     71.0888100             -0.0092090        
  3     27.1190300             -0.0428880        
  4     11.4482600             -0.1336640        
  5      5.13954200            -0.2764620        
  6      2.33269400            -0.2865590        
  7      1.03403000             0.0280880        
  8      0.437899000            0.4371010        
  9      0.168963000            0.4473440        
 10      0.058088000            0.0910900        
D   10
  1    237.5928000              0.0013890        
  2     71.0888100              0.0128440        
  3     27.1190300              0.0581990        
  4     11.4482600              0.1905980        
  5      5.13954200             0.3789100        
  6      2.33269400             0.0840300        
  7      1.03403000            -0.6504700        
  8      0.437899000           -0.2854880        
  9      0.168963000            0.6569090        
 10      0.058088000            0.2377510        
D   10
  1    237.5928000              0.0015410        
  2     71.0888100              0.0206010        
  3     27.1190300              0.0745090        
  4     11.4482600              0.3340320        
  5      5.13954200             0.4849040        
  6      2.33269400            -0.7899320        
  7      1.03403000            -0.4507480        
  8      0.437899000            1.1465360        
  9      0.168963000           -0.4481570        
 10      0.058088000           -0.3644060        
F   6
  1     18.3789000              0.0157340        
  2      7.35160000             0.0928360        
  3      2.94060000             0.3260260        
  4      1.17620000             0.4745630        
  5      0.470500000            0.3187200        
  6      0.188200000            0.0993000        
F   6
  1     18.3789000             -0.0313820        
  2      7.35160000            -0.2228860        
  3      2.94060000            -0.5409690        
  4      1.17620000            -0.0388520        
  5      0.470500000            0.5523360        
  6      0.188200000            0.3135940        
F   6
  1     18.3789000             -0.0374510        
  2      7.35160000            -0.4655020        
  3      2.94060000            -0.3523760        
  4      1.17620000             0.8737680        
  5      0.470500000           -0.1190580        
  6      0.188200000           -0.6287490        
G   4
  1      8.82150000             0.0430210        
  2      3.52860000             0.3144400        
  3      1.41140000             0.5426270        
  4      0.564600000            0.3634630        
G   4
  1      8.82150000            -0.2177540        
  2      3.52860000            -0.6510370        
  3      1.41140000             0.0195600        
  4      0.564600000            0.6994410        


name: Bauschlicher ANO
description: VQZ3P Valence Quadruple zeta + Polarization on All Atoms
elt: Ni
data:
NICKEL
S   19
  1 5048010.4000000             0.0000090        
  2 755918.1000000              0.0000670        
  3 172026.2500000              0.0003510        
  4  48724.5720000              0.0014800        
  5  15894.8920000              0.0053610        
  6   5737.4685000              0.0171990        
  7   2237.0513000              0.0491280        
  8    927.0302000              0.1221690        
  9    403.3461500              0.2481120        
 10    182.4281600              0.3582690        
 11     84.5891710              0.2791030        
 12     38.4229310              0.0682840        
 13     18.4687910             -0.0011830        
 14      8.86819030             0.0019140        
 15      3.91886970            -0.0008790        
 16      1.83985250             0.0003770        
 17      0.804662600           -0.0001450        
 18      0.169846300            0.0000510        
 19      0.079369900           -0.0000400        
S   19
  1 5048010.4000000            -0.0000030        
  2 755918.1000000             -0.0000200        
  3 172026.2500000             -0.0001080        
  4  48724.5720000             -0.0004540        
  5  15894.8920000             -0.0016510        
  6   5737.4685000             -0.0053460        
  7   2237.0513000             -0.0156420        
  8    927.0302000             -0.0410010        
  9    403.3461500             -0.0933970        
 10    182.4281600             -0.1704110        
 11     84.5891710             -0.1937530        
 12     38.4229310              0.0436140        
 13     18.4687910              0.5194920        
 14      8.86819030             0.5037270        
 15      3.91886970             0.0912950        
 16      1.83985250            -0.0022250        
 17      0.804662600            0.0022260        
 18      0.169846300           -0.0004290        
 19      0.079369900            0.0003630        
S   19
  1 5048010.4000000             0.0000010        
  2 755918.1000000              0.0000070        
  3 172026.2500000              0.0000380        
  4  48724.5720000              0.0001610        
  5  15894.8920000              0.0005870        
  6   5737.4685000              0.0019040        
  7   2237.0513000              0.0055800        
  8    927.0302000              0.0147530        
  9    403.3461500              0.0340360        
 10    182.4281600              0.0643470        
 11     84.5891710              0.0771120        
 12     38.4229310             -0.0185120        
 13     18.4687910             -0.3044200        
 14      8.86819030            -0.4512560        
 15      3.91886970             0.1484940        
 16      1.83985250             0.7133860        
 17      0.804662600            0.3979360        
 18      0.169846300            0.0231230        
 19      0.079369900           -0.0093000        
S   18
  1 755918.1000000             -0.0000020        
  2 172026.2500000             -0.0000090        
  3  48724.5720000             -0.0000370        
  4  15894.8920000             -0.0001340        
  5   5737.4685000             -0.0004340        
  6   2237.0513000             -0.0012710        
  7    927.0302000             -0.0033680        
  8    403.3461500             -0.0077540        
  9    182.4281600             -0.0147500        
 10     84.5891710             -0.0176110        
 11     38.4229310              0.0039920        
 12     18.4687910              0.0730740        
 13      8.86819030             0.1111670        
 14      3.91886970            -0.0440510        
 15      1.83985250            -0.2324210        
 16      0.804662600           -0.2276380        
 17      0.169846300            0.3114210        
 18      0.079369900            0.5468970        
S   19
  1 5048010.4000000             0.0000240        
  2 755918.1000000             -0.0000130        
  3 172026.2500000             -0.0000120        
  4  48724.5720000             -0.0000740        
  5  15894.8920000             -0.0002370        
  6   5737.4685000             -0.0008530        
  7   2237.0513000             -0.0022550        
  8    927.0302000             -0.0066460        
  9    403.3461500             -0.0135760        
 10    182.4281600             -0.0300980        
 11     84.5891710             -0.0268830        
 12     38.4229310             -0.0085890        
 13     18.4687910              0.1758910        
 14      8.86819030             0.1596780        
 15      3.91886970             0.0250370        
 16      1.83985250            -0.9078600        
 17      0.804662600            0.2655870        
 18      0.169846300            1.6122490        
 19      0.079369900           -0.6112430        
S   19
  1 5048010.4000000            -0.0000330        
  2 755918.1000000              0.0002570        
  3 172026.2500000             -0.0001740        
  4  48724.5720000             -0.0000540        
  5  15894.8920000             -0.0005110        
  6   5737.4685000             -0.0014030        
  7   2237.0513000             -0.0043650        
  8    927.0302000             -0.0114870        
  9    403.3461500             -0.0254460        
 10    182.4281600             -0.0533040        
 11     84.5891710             -0.0517320        
 12     38.4229310             -0.0112730        
 13     18.4687910              0.3198380        
 14      8.86819030             0.3950850        
 15      3.91886970            -0.2547270        
 16      1.83985250            -2.1265650        
 17      0.804662600            2.5157580        
 18      0.169846300           -0.2125990        
 19      0.079369900           -1.7291540        
S   1
  1      0.034700200            1.0000000        
P   14
  1   9148.7958000              0.0001740        
  2   2167.1706000              0.0015270        
  3    703.3856600              0.0085220        
  4    268.1342300              0.0351420        
  5    113.0078100              0.1102710        
  6     50.9133950              0.2517370        
  7     23.8774020              0.3825020        
  8     11.4892370              0.3088820        
  9      5.43688390             0.0871670        
 10      2.53383660             0.0039480        
 11      1.13530880             0.0015980        
 12      0.467891100           -0.0002260        
 13      0.187200000            0.0002170        
 14      0.074900000           -0.0000900        
P   14
  1   9148.7958000             -0.0000620        
  2   2167.1706000             -0.0005460        
  3    703.3856600             -0.0030730        
  4    268.1342300             -0.0128270        
  5    113.0078100             -0.0416140        
  6     50.9133950             -0.0991340        
  7     23.8774020             -0.1613400        
  8     11.4892370             -0.1107930        
  9      5.43688390             0.1894650        
 10      2.53383660             0.4753500        
 11      1.13530880             0.4014970        
 12      0.467891100            0.1055720        
 13      0.187200000           -0.0003780        
 14      0.074900000            0.0027960        
P   14
  1   9148.7958000              0.0000300        
  2   2167.1706000              0.0002030        
  3    703.3856600              0.0013380        
  4    268.1342300              0.0051270        
  5    113.0078100              0.0173880        
  6     50.9133950              0.0409150        
  7     23.8774020              0.0680180        
  8     11.4892370              0.0477330        
  9      5.43688390            -0.1038460        
 10      2.53383660            -0.2716260        
 11      1.13530880            -0.1497540        
 12      0.467891100            0.3179060        
 13      0.187200000            0.6163390        
 14      0.074900000            0.2276480        
P   14
  1   9148.7958000             -0.0006630        
  2   2167.1706000              0.0007960        
  3    703.3856600              0.0017760        
  4    268.1342300              0.0108210        
  5    113.0078100              0.0290620        
  6     50.9133950              0.0769940        
  7     23.8774020              0.1227310        
  8     11.4892370              0.1048100        
  9      5.43688390            -0.2597590        
 10      2.53383660            -0.6896980        
 11      1.13530880             0.3688420        
 12      0.467891100            1.0654880        
 13      0.187200000           -0.5344810        
 14      0.074900000           -0.5011200        
P   14
  1   9148.7958000              0.0012770        
  2   2167.1706000             -0.0065500        
  3    703.3856600              0.0063860        
  4    268.1342300              0.0121480        
  5    113.0078100              0.0396830        
  6     50.9133950              0.1071850        
  7     23.8774020              0.1442300        
  8     11.4892370              0.2590020        
  9      5.43688390            -0.8723900        
 10      2.53383660            -0.5578110        
 11      1.13530880             2.0283200        
 12      0.467891100           -1.2357980        
 13      0.187200000           -0.4765670        
 14      0.074900000            0.8967940        
P   1
  1      0.029900000            1.0000000        
D   10
  1    258.8666600              0.0009460        
  2     77.4960410              0.0081190        
  3     29.5897180              0.0370440        
  4     12.5152750              0.1124360        
  5      5.62446750             0.2296360        
  6      2.55130290             0.3134900        
  7      1.12805970             0.3092810        
  8      0.475373000            0.2445290        
  9      0.182127800            0.1321490        
 10      0.072900000            0.0338880        
D   10
  1    258.8666600             -0.0009600        
  2     77.4960410             -0.0082760        
  3     29.5897180             -0.0380530        
  4     12.5152750             -0.1180440        
  5      5.62446750            -0.2418780        
  6      2.55130290            -0.2574680        
  7      1.12805970            -0.0353770        
  8      0.475373000            0.3306340        
  9      0.182127800            0.4644450        
 10      0.072900000            0.2449120        
D   10
  1    258.8666600             -0.0013470        
  2     77.4960410             -0.0119700        
  3     29.5897180             -0.0550130        
  4     12.5152750             -0.1780890        
  5      5.62446750            -0.3537820        
  6      2.55130290            -0.1546950        
  7      1.12805970             0.5064350        
  8      0.475373000            0.4480440        
  9      0.182127800           -0.3629430        
 10      0.072900000           -0.4751770        
D   10
  1    258.8666600              0.0020000        
  2     77.4960410              0.0167890        
  3     29.5897180              0.0774360        
  4     12.5152750              0.2825310        
  5      5.62446750             0.4798750        
  6      2.55130290            -0.5522080        
  7      1.12805970            -0.6441280        
  8      0.475373000            0.8320280        
  9      0.182127800            0.2247390        
 10      0.072900000           -0.6818500        
F   6
  1     19.7642000              0.0171120        
  2      7.90570000             0.0982030        
  3      3.16220000             0.3373790        
  4      1.26490000             0.4757970        
  5      0.506000000            0.3043240        
  6      0.202400000            0.0953710        
F   6
  1     19.7642000              0.0346430        
  2      7.90570000             0.2515000        
  3      3.16220000             0.5566410        
  4      1.26490000            -0.0328550        
  5      0.506000000           -0.5452100        
  6      0.202400000           -0.2765610        
F   6
  1     19.7642000             -0.0479530        
  2      7.90570000            -0.5173170        
  3      3.16220000            -0.2558300        
  4      1.26490000             0.9061380        
  5      0.506000000           -0.2685410        
  6      0.202400000           -0.5480760        
G   4
  1      9.4868000              0.0226490        
  2      3.7947000              0.1963260        
  3      1.5178000              0.3418600        
  4      0.6072000              0.2077150        
G   4
  1      9.4868000             -0.1502250        
  2      3.7947000             -0.3899900        
  3      1.5178000              0.0262290        
  4      0.6072000              0.4211480        


name: Bauschlicher ANO
description: VQZ3P Valence Quadruple zeta + Polarization on All Atoms
elt: Cu
data:
COPPER
S   19
  1 5430320.9000000             0.0000090        
  2 813166.4770000              0.0000670        
  3 185054.3600000              0.0003500        
  4  52414.6558000              0.0014760        
  5  17098.6763000              0.0053460        
  6   6171.9942700              0.0171490        
  7   2406.4807300              0.0489980        
  8    997.2584270              0.1219010        
  9    433.9289300              0.2477650        
 10    196.2869150              0.3582070        
 11     91.0427978              0.2796080        
 12     41.3842510              0.0685680        
 13     19.9327782             -0.0012290        
 14      9.58189137             0.0019110        
 15      4.23451601            -0.0008770        
 16      1.98581402             0.0003750        
 17      0.867082710           -0.0001420        
 18      0.181339190            0.0000490        
 19      0.083656970           -0.0000380        
S   19
  1 5430320.9000000             0.0000030        
  2 813166.4770000              0.0000200        
  3 185054.3600000              0.0001080        
  4  52414.6558000              0.0004550        
  5  17098.6763000              0.0016530        
  6   6171.9942700              0.0053540        
  7   2406.4807300              0.0156680        
  8    997.2584270              0.0410910        
  9    433.9289300              0.0936920        
 10    196.2869150              0.1711650        
 11     91.0427978              0.1948910        
 12     41.3842510             -0.0440730        
 13     19.9327782             -0.5217730        
 14      9.58189137            -0.5024840        
 15      4.23451601            -0.0905390        
 16      1.98581402             0.0021550        
 17      0.867082710           -0.0021920        
 18      0.181339190            0.0004450        
 19      0.083656970           -0.0002840        
S   19
  1 5430320.9000000             0.0000010        
  2 813166.4770000              0.0000080        
  3 185054.3600000              0.0000400        
  4  52414.6558000              0.0001700        
  5  17098.6763000              0.0006200        
  6   6171.9942700              0.0020110        
  7   2406.4807300              0.0058930        
  8    997.2584270              0.0155870        
  9    433.9289300              0.0359530        
 10    196.2869150              0.0679850        
 11     91.0427978              0.0813160        
 12     41.3842510             -0.0194560        
 13     19.9327782             -0.3184780        
 14      9.58189137            -0.4596230        
 15      4.23451601             0.1547830        
 16      1.98581402             0.7196800        
 17      0.867082710            0.3872940        
 18      0.181339190            0.0202310        
 19      0.083656970           -0.0048470        
S   18
  1 813166.4770000              0.0000020        
  2 185054.3600000              0.0000090        
  3  52414.6558000              0.0000370        
  4  17098.6763000              0.0001340        
  5   6171.9942700              0.0004360        
  6   2406.4807300              0.0012760        
  7    997.2584270              0.0033840        
  8    433.9289300              0.0078020        
  9    196.2869150              0.0148570        
 10     91.0427978              0.0177880        
 11     41.3842510             -0.0041030        
 12     19.9327782             -0.0739600        
 13      9.58189137            -0.1107620        
 14      4.23451601             0.0464400        
 15      1.98581402             0.2303040        
 16      0.867082710            0.2247270        
 17      0.181339190           -0.3115540        
 18      0.083656970           -0.5599890        
S   19
  1 5430320.9000000            -0.0000010        
  2 813166.4770000             -0.0000040        
  3 185054.3600000             -0.0000200        
  4  52414.6558000             -0.0000900        
  5  17098.6763000             -0.0003070        
  6   6171.9942700             -0.0010720        
  7   2406.4807300             -0.0028770        
  8    997.2584270             -0.0084790        
  9    433.9289300             -0.0170990        
 10    196.2869150             -0.0391190        
 11     91.0427978             -0.0330280        
 12     41.3842510             -0.0143510        
 13     19.9327782              0.2368410        
 14      9.58189137             0.1928050        
 15      4.23451601             0.0216400        
 16      1.98581402            -1.2542960        
 17      0.867082710            0.6352810        
 18      0.181339190            1.7979840        
 19      0.083656970           -1.3220520        
S   19
  1 5430320.9000000            -0.0000010        
  2 813166.4770000             -0.0000060        
  3 185054.3600000             -0.0000330        
  4  52414.6558000             -0.0001420        
  5  17098.6763000             -0.0005110        
  6   6171.9942700             -0.0016800        
  7   2406.4807300             -0.0048580        
  8    997.2584270             -0.0131050        
  9    433.9289300             -0.0296940        
 10    196.2869150             -0.0585230        
 11     91.0427978             -0.0673680        
 12     41.3842510              0.0083870        
 13     19.9327782              0.3257690        
 14      9.58189137             0.6099390        
 15      4.23451601            -0.8428400        
 16      1.98581402            -1.7421770        
 17      0.867082710            2.8578570        
 18      0.181339190           -1.8780770        
 19      0.083656970            0.3389210        
S   1
  1      0.036266680            1.0000000        
P   14
  1   9902.6879200              0.0001720        
  2   2345.7229300              0.0015170        
  3    761.3583510              0.0084770        
  4    290.2818910              0.0350100        
  5    122.3838260              0.1100870        
  6     55.1704826              0.2518850        
  7     25.9021481              0.3829120        
  8     12.4778479              0.3083550        
  9      5.91041721             0.0868180        
 10      2.75576220             0.0040150        
 11      1.23440823             0.0015900        
 12      0.508187190           -0.0002260        
 13      0.203000000            0.0002050        
 14      0.081300000           -0.0000890        
P   14
  1   9902.6879200              0.0000640        
  2   2345.7229300              0.0005620        
  3    761.3583510              0.0031640        
  4    290.2818910              0.0132240        
  5    122.3838260              0.0429790        
  6     55.1704826              0.1025680        
  7     25.9021481              0.1669030        
  8     12.4778479              0.1132170        
  9      5.91041721            -0.1926990        
 10      2.75576220            -0.4788520        
 11      1.23440823            -0.3991090        
 12      0.508187190           -0.1002900        
 13      0.203000000            0.0011030        
 14      0.081300000           -0.0026600        
P   14
  1   9902.6879200              0.0000240        
  2   2345.7229300              0.0002100        
  3    761.3583510              0.0011770        
  4    290.2818910              0.0049530        
  5    122.3838260              0.0160530        
  6     55.1704826              0.0387700        
  7     25.9021481              0.0634230        
  8     12.4778479              0.0449160        
  9      5.91041721            -0.0984250        
 10      2.75576220            -0.2470330        
 11      1.23440823            -0.1556460        
 12      0.508187190            0.2849680        
 13      0.203000000            0.6330650        
 14      0.081300000            0.2402010        
P   14
  1   9902.6879200              0.0000470        
  2   2345.7229300              0.0004160        
  3    761.3583510              0.0023370        
  4    290.2818910              0.0098360        
  5    122.3838260              0.0319320        
  6     55.1704826              0.0770590        
  7     25.9021481              0.1280650        
  8     12.4778479              0.1084640        
  9      5.91041721            -0.2791400        
 10      2.75576220            -0.6912680        
 11      1.23440823             0.3889580        
 12      0.508187190            1.0457010        
 13      0.203000000           -0.5001010        
 14      0.081300000           -0.4963880        
P   14
  1   9902.6879200             -0.0000560        
  2   2345.7229300             -0.0005430        
  3    761.3583510             -0.0028010        
  4    290.2818910             -0.0128500        
  5    122.3838260             -0.0382120        
  6     55.1704826             -0.1022340        
  7     25.9021481             -0.1492890        
  8     12.4778479             -0.2454860        
  9      5.91041721             0.8473510        
 10      2.75576220             0.5601520        
 11      1.23440823            -2.0014380        
 12      0.508187190            1.1966730        
 13      0.203000000            0.5220680        
 14      0.081300000           -0.9269990        
P   1
  1      0.032500000            1.0000000        
D   10
  1    281.0982000             -0.0009900        
  2     84.1938280             -0.0085230        
  3     32.1739780             -0.0390390        
  4     13.6320680             -0.1183100        
  5      6.13197020            -0.2395380        
  6      2.78015440            -0.3231120        
  7      1.22660420            -0.3149140        
  8      0.514703500           -0.2355150        
  9      0.195953500           -0.1036160        
 10      0.078000000           -0.0096940        
D   10
  1    281.0982000              0.0012450        
  2     84.1938280              0.0107400        
  3     32.1739780              0.0497900        
  4     13.6320680              0.1556990        
  5      6.13197020             0.3129480        
  6      2.78015440             0.2775900        
  7      1.22660420            -0.1042850        
  8      0.514703500           -0.4769210        
  9      0.195953500           -0.3714020        
 10      0.078000000           -0.0532110        
D   10
  1    281.0982000             -0.0015310        
  2     84.1938280             -0.0134820        
  3     32.1739780             -0.0623130        
  4     13.6320680             -0.2095320        
  5      6.13197020            -0.3979870        
  6      2.78015440             0.0303520        
  7      1.22660420             0.7222440        
  8      0.514703500            0.0722930        
  9      0.195953500           -0.6559730        
 10      0.078000000           -0.1565770        
D   10
  1    281.0982000              0.0020900        
  2     84.1938280              0.0205180        
  3     32.1739780              0.0879360        
  4     13.6320680              0.3632530        
  5      6.13197020             0.4545780        
  6      2.78015440            -1.0092230        
  7      1.22660420            -0.0896930        
  8      0.514703500            1.0362280        
  9      0.195953500           -0.5834490        
 10      0.078000000           -0.2678620        
F   6
  1     24.7050000             -0.0140560        
  2      9.88210000            -0.0871630        
  3      3.95280000            -0.3251660        
  4      1.58110000            -0.4788290        
  5      0.632500000           -0.3161410        
  6      0.253000000           -0.1022740        
F   6
  1     24.7050000             -0.0256720        
  2      9.88210000            -0.2065530        
  3      3.95280000            -0.5463360        
  4      1.58110000            -0.0499940        
  5      0.632500000            0.5462180        
  6      0.253000000            0.3308230        
F   6
  1     24.7050000             -0.0333060        
  2      9.88210000            -0.4274890        
  3      3.95280000            -0.4102330        
  4      1.58110000             0.8725360        
  5      0.632500000           -0.0710200        
  6      0.253000000           -0.6568550        
G   4
  1     11.8585000             -0.0083950        
  2      4.7434000             -0.0872560        
  3      1.8974000             -0.1617680        
  4      0.7589000             -0.1032330        
G   4
  1     11.8585000             -0.0588450        
  2      4.7434000             -0.1898350        
  3      1.8974000              0.0005770        
  4      0.7589000              0.2036260        


name: Binning/Curtiss SV
description: VDZ Valence Double Zeta: 2 Funct.'s/Valence AO
elt: Ga
data:
GALLIUM
S   8
  1 457600.0000000              0.0002210        
  2  68470.0000000              0.0017220        
  3  15590.0000000              0.0088660        
  4   4450.0000000              0.0359190        
  5   1472.0000000              0.1144600        
  6    541.3000000              0.2816300        
  7    214.8000000              0.4481000        
  8     88.8100000              0.2955200        
S   2
  1     27.1800000              0.4802500        
  2     11.5400000              1.1478000        
S   1
  1      3.3030000              1.0000000        
S   1
  1      1.3340000              1.0000000        
S   1
  1      0.1947000              1.0000000        
S   1
  1      0.0715800              1.0000000        
P   6
  1   3274.0000000              0.0014740        
  2    765.4000000              0.0132700        
  3    241.6000000              0.0653840        
  4     89.3900000              0.2296100        
  5     36.3600000              0.3992900        
  6     15.6000000              0.4359300        
P   3
  1      6.4720000              0.2610500        
  2      2.7480000              0.4834700        
  3      1.0900000              0.2872100        
P   1
  1      0.2202000              1.0000000        
P   1
  1      0.0613000              1.0000000        
D   5
  1     59.6600000              0.0319600        
  2     17.1000000              0.1635800        
  3      6.0300000              0.3672000        
  4      2.1710000              0.4570400        
  5      0.6844000              0.3047700        


name: Binning/Curtiss SV
description: VDZ Valence Double Zeta: 2 Funct.'s/Valence AO
elt: Ge
data:
GERMANIUM
S   8
  1 489000.0000000              0.0002220        
  2  73100.0000000              0.0017280        
  3  16640.0000000              0.0089500        
  4   4742.0000000              0.0359050        
  5   1569.0000000              0.1128400        
  6    577.0000000              0.2874800        
  7    229.0000000              0.4344900        
  8     94.8100000              0.3068300        
S   2
  1     29.2200000              0.4775900        
  2     12.4500000              1.1144500        
S   1
  1      3.6420000              1.0000000        
S   1
  1      1.5020000              1.0000000        
S   1
  1      0.2462000              1.0000000        
S   1
  1      0.0920900              1.0000000        
P   6
  1   3596.0000000              0.0014420        
  2    843.7000000              0.0124420        
  3    266.2000000              0.0646940        
  4     98.2800000              0.2186650        
  5     39.9300000              0.3933500        
  6     17.1400000              0.4345300        
P   3
  1      7.1570000              0.2499750        
  2      3.0680000              0.4693800        
  3      1.2460000              0.2889600        
P   1
  1      0.2795000              1.0000000        
P   1
  1      0.0834000              1.0000000        
D   5
  1     70.1800000              0.0287700        
  2     20.0700000              0.1552500        
  3      7.0590000              0.3681400        
  4      2.5530000              0.4657800        
  5      0.8301000              0.2864800        


name: Binning/Curtiss SV
description: VDZ Valence Double Zeta: 2 Funct.'s/Valence AO
elt: As
data:
ARSENIC
S   8
  1 526200.0000000              0.0002200        
  2  78310.0000000              0.0017200        
  3  17800.0000000              0.0088900        
  4   5070.0000000              0.0353500        
  5   1677.0000000              0.1122600        
  6    617.0000000              0.2862500        
  7    245.0000000              0.4340600        
  8    101.5000000              0.3088000        
S   2
  1     31.3900000              0.4729900        
  2     13.4300000              1.1237500        
S   1
  1      4.0000000              1.0000000        
S   1
  1      1.6830000              1.0000000        
S   1
  1      0.3003000              1.0000000        
S   1
  1      0.1137000              1.0000000        
P   6
  1   3909.0000000              0.0013300        
  2    924.0000000              0.0114000        
  3    291.8000000              0.0598100        
  4    107.5000000              0.2051100        
  5     43.6200000              0.3743200        
  6     18.7300000              0.4214100        
P   3
  1      7.8410000              0.2190100        
  2      3.3910000              0.4295500        
  3      1.4050000              0.2640000        
P   1
  1      0.3441000              1.0000000        
P   1
  1      0.1068000              1.0000000        
D   5
  1     81.5900000              0.0255800        
  2     23.2600000              0.1449200        
  3      8.1480000              0.3604400        
  4      2.9540000              0.4625500        
  5      0.9827000              0.2681300        


name: Binning/Curtiss SV
description: VDZ Valence Double Zeta: 2 Funct.'s/Valence AO
elt: Se
data:
SELENIUM
S   8
  1 560600.0000000              0.0002200        
  2  84010.0000000              0.0017000        
  3  19030.0000000              0.0088300        
  4   5419.0000000              0.0350800        
  5   1792.0000000              0.1126600        
  6    659.5000000              0.2847100        
  7    262.0000000              0.4334800        
  8    108.6000000              0.3114000        
S   2
  1     33.6600000              0.4682300        
  2     14.4500000              1.0926100        
S   1
  1      4.3780000              1.0000000        
S   1
  1      1.8760000              1.0000000        
S   1
  1      0.3592000              1.0000000        
S   1
  1      0.1367000              1.0000000        
P   6
  1   4114.0000000              0.0011700        
  2    980.4000000              0.0098500        
  3    310.7000000              0.0517700        
  4    114.2000000              0.1786900        
  5     46.2600000              0.3250400        
  6     19.8700000              0.3608900        
P   3
  1      8.3090000              0.2148800        
  2      3.5980000              0.3962900        
  3      1.5220000              0.2250800        
P   1
  1      0.4032000              1.0000000        
P   1
  1      0.1231000              1.0000000        
D   5
  1     94.0300000              0.0206300        
  2     26.7900000              0.1222700        
  3      9.3360000              0.3197200        
  4      3.3830000              0.4173800        
  5      1.1450000              0.2318400        


name: Binning/Curtiss SV
description: VDZ Valence Double Zeta: 2 Funct.'s/Valence AO
elt: Br
data:
BROMINE
S   8
  1 574300.0000000              0.0002200        
  2  89070.0000000              0.0016870        
  3  20210.0000000              0.0087460        
  4   5736.0000000              0.0355970        
  5   1899.0000000              0.1135200        
  6    698.7000000              0.2797300        
  7    277.8000000              0.4493800        
  8    115.2000000              0.3002300        
S   2
  1     35.9700000              0.4572600        
  2     15.5000000              1.2297800        
S   1
  1      4.7710000              1.0000000        
S   1
  1      2.0770000              1.0000000        
S   1
  1      0.4211000              1.0000000        
S   1
  1      0.1610000              1.0000000        
P   6
  1   4406.0000000              0.0013770        
  2   1042.0000000              0.0122070        
  3    332.1000000              0.0601900        
  4    121.9000000              0.2237000        
  5     49.2400000              0.4004700        
  6     21.1600000              0.4445800        
P   3
  1      8.8360000              0.2724500        
  2      3.8290000              0.4946900        
  3      1.6430000              0.2568400        
P   1
  1      0.4650000              1.0000000        
P   1
  1      0.1427000              1.0000000        
D   5
  1    108.4000000              0.0215210        
  2     30.7100000              0.1337600        
  3     10.6600000              0.3667300        
  4      3.8510000              0.4903700        
  5      1.3170000              0.2674900        


name: Binning/Curtiss SV
description: VDZ Valence Double Zeta: 2 Funct.'s/Valence AO
elt: Kr
data:
KRYPTON
S   8
  1 605700.0000000              0.0002300        
  2  90300.0000000              0.0017430        
  3  20920.0000000              0.0090460        
  4   5889.0000000              0.0369010        
  5   1950.0000000              0.1174300        
  6    718.2000000              0.2861700        
  7    285.4000000              0.4540800        
  8    118.6000000              0.2850100        
S   2
  1     38.1600000              0.4646500        
  2     16.4500000              1.2444800        
S   1
  1      5.2110000              1.0000000        
S   1
  1      2.2910000              1.0000000        
S   1
  1      0.4837000              1.0000000        
S   1
  1      0.1855000              1.0000000        
P   6
  1   4678.0000000              0.0013440        
  2   1120.0000000              0.0118210        
  3    357.1000000              0.0582770        
  4    131.4000000              0.2185400        
  5     52.8600000              0.3975700        
  6     22.7000000              0.4411900        
P   3
  1      9.5470000              0.2688700        
  2      4.1670000              0.4938100        
  3      1.8110000              0.2506900        
P   1
  1      0.5337000              1.0000000        
P   1
  1      0.1654000              1.0000000        
D   5
  1    125.6000000              0.0156950        
  2     35.3100000              0.1030100        
  3     12.1500000              0.2996800        
  4      4.3500000              0.4117100        
  5      1.4940000              0.2154800        


name: Binning/Curtiss SVP
description: VDZP Valence Double Zeta + Polarization
elt: Ga
data:
GALLIUM
S   8
  1 457600.0000000              0.0002210        
  2  68470.0000000              0.0017220        
  3  15590.0000000              0.0088660        
  4   4450.0000000              0.0359190        
  5   1472.0000000              0.1144600        
  6    541.3000000              0.2816300        
  7    214.8000000              0.4481000        
  8     88.8100000              0.2955200        
S   2
  1     27.1800000              0.4802500        
  2     11.5400000              1.1478000        
S   1
  1      3.3030000              1.0000000        
S   1
  1      1.3340000              1.0000000        
S   1
  1      0.1947000              1.0000000        
S   1
  1      0.0715800              1.0000000        
P   6
  1   3274.0000000              0.0014740        
  2    765.4000000              0.0132700        
  3    241.6000000              0.0653840        
  4     89.3900000              0.2296100        
  5     36.3600000              0.3992900        
  6     15.6000000              0.4359300        
P   3
  1      6.4720000              0.2610500        
  2      2.7480000              0.4834700        
  3      1.0900000              0.2872100        
P   1
  1      0.2202000              1.0000000        
P   1
  1      0.0613000              1.0000000        
D   5
  1     59.6600000              0.0319600        
  2     17.1000000              0.1635800        
  3      6.0300000              0.3672000        
  4      2.1710000              0.4570400        
  5      0.6844000              0.3047700        
D   1
  1      0.1410000              1.0000000        


name: Binning/Curtiss SVP
description: VDZP Valence Double Zeta + Polarization
elt: Ge
data:
GERMANIUM
S   8
  1 489000.0000000              0.0002220        
  2  73100.0000000              0.0017280        
  3  16640.0000000              0.0089500        
  4   4742.0000000              0.0359050        
  5   1569.0000000              0.1128400        
  6    577.0000000              0.2874800        
  7    229.0000000              0.4344900        
  8     94.8100000              0.3068300        
S   2
  1     29.2200000              0.4775900        
  2     12.4500000              1.1144500        
S   1
  1      3.6420000              1.0000000        
S   1
  1      1.5020000              1.0000000        
S   1
  1      0.2462000              1.0000000        
S   1
  1      0.0920900              1.0000000        
P   6
  1   3596.0000000              0.0014420        
  2    843.7000000              0.0124420        
  3    266.2000000              0.0646940        
  4     98.2800000              0.2186650        
  5     39.9300000              0.3933500        
  6     17.1400000              0.4345300        
P   3
  1      7.1570000              0.2499750        
  2      3.0680000              0.4693800        
  3      1.2460000              0.2889600        
P   1
  1      0.2795000              1.0000000        
P   1
  1      0.0834000              1.0000000        
D   5
  1     70.1800000              0.0287700        
  2     20.0700000              0.1552500        
  3      7.0590000              0.3681400        
  4      2.5530000              0.4657800        
  5      0.8301000              0.2864800        
D   1
  1      0.2020000              1.0000000        


name: Binning/Curtiss SVP
description: VDZP Valence Double Zeta + Polarization
elt: As
data:
ARSENIC
S   8
  1 526200.0000000              0.0002200        
  2  78310.0000000              0.0017200        
  3  17800.0000000              0.0088900        
  4   5070.0000000              0.0353500        
  5   1677.0000000              0.1122600        
  6    617.0000000              0.2862500        
  7    245.0000000              0.4340600        
  8    101.5000000              0.3088000        
S   2
  1     31.3900000              0.4729900        
  2     13.4300000              1.1237500        
S   1
  1      4.0000000              1.0000000        
S   1
  1      1.6830000              1.0000000        
S   1
  1      0.3003000              1.0000000        
S   1
  1      0.1137000              1.0000000        
P   6
  1   3909.0000000              0.0013300        
  2    924.0000000              0.0114000        
  3    291.8000000              0.0598100        
  4    107.5000000              0.2051100        
  5     43.6200000              0.3743200        
  6     18.7300000              0.4214100        
P   3
  1      7.8410000              0.2190100        
  2      3.3910000              0.4295500        
  3      1.4050000              0.2640000        
P   1
  1      0.3441000              1.0000000        
P   1
  1      0.1068000              1.0000000        
D   5
  1     81.5900000              0.0255800        
  2     23.2600000              0.1449200        
  3      8.1480000              0.3604400        
  4      2.9540000              0.4625500        
  5      0.9827000              0.2681300        
D   1
  1      0.2730000              1.0000000        


name: Binning/Curtiss SVP
description: VDZP Valence Double Zeta + Polarization
elt: Se
data:
SELENIUM
S   8
  1 560600.0000000              0.0002200        
  2  84010.0000000              0.0017000        
  3  19030.0000000              0.0088300        
  4   5419.0000000              0.0350800        
  5   1792.0000000              0.1126600        
  6    659.5000000              0.2847100        
  7    262.0000000              0.4334800        
  8    108.6000000              0.3114000        
S   2
  1     33.6600000              0.4682300        
  2     14.4500000              1.0926100        
S   1
  1      4.3780000              1.0000000        
S   1
  1      1.8760000              1.0000000        
S   1
  1      0.3592000              1.0000000        
S   1
  1      0.1367000              1.0000000        
P   6
  1   4114.0000000              0.0011700        
  2    980.4000000              0.0098500        
  3    310.7000000              0.0517700        
  4    114.2000000              0.1786900        
  5     46.2600000              0.3250400        
  6     19.8700000              0.3608900        
P   3
  1      8.3090000              0.2148800        
  2      3.5980000              0.3962900        
  3      1.5220000              0.2250800        
P   1
  1      0.4032000              1.0000000        
P   1
  1      0.1231000              1.0000000        
D   5
  1     94.0300000              0.0206300        
  2     26.7900000              0.1222700        
  3      9.3360000              0.3197200        
  4      3.3830000              0.4173800        
  5      1.1450000              0.2318400        
D   1
  1      0.3150000              1.0000000        


name: Binning/Curtiss SVP
description: VDZP Valence Double Zeta + Polarization
elt: Br
data:
BROMINE
S   8
  1 574300.0000000              0.0002200        
  2  89070.0000000              0.0016870        
  3  20210.0000000              0.0087460        
  4   5736.0000000              0.0355970        
  5   1899.0000000              0.1135200        
  6    698.7000000              0.2797300        
  7    277.8000000              0.4493800        
  8    115.2000000              0.3002300        
S   2
  1     35.9700000              0.4572600        
  2     15.5000000              1.2297800        
S   1
  1      4.7710000              1.0000000        
S   1
  1      2.0770000              1.0000000        
S   1
  1      0.4211000              1.0000000        
S   1
  1      0.1610000              1.0000000        
P   6
  1   4406.0000000              0.0013770        
  2   1042.0000000              0.0122070        
  3    332.1000000              0.0601900        
  4    121.9000000              0.2237000        
  5     49.2400000              0.4004700        
  6     21.1600000              0.4445800        
P   3
  1      8.8360000              0.2724500        
  2      3.8290000              0.4946900        
  3      1.6430000              0.2568400        
P   1
  1      0.4650000              1.0000000        
P   1
  1      0.1427000              1.0000000        
D   5
  1    108.4000000              0.0215210        
  2     30.7100000              0.1337600        
  3     10.6600000              0.3667300        
  4      3.8510000              0.4903700        
  5      1.3170000              0.2674900        
D   1
  1      0.3380000              1.0000000        


name: Binning/Curtiss SVP
description: VDZP Valence Double Zeta + Polarization
elt: Kr
data:
KRYPTON
S   8
  1 605700.0000000              0.0002300        
  2  90300.0000000              0.0017430        
  3  20920.0000000              0.0090460        
  4   5889.0000000              0.0369010        
  5   1950.0000000              0.1174300        
  6    718.2000000              0.2861700        
  7    285.4000000              0.4540800        
  8    118.6000000              0.2850100        
S   2
  1     38.1600000              0.4646500        
  2     16.4500000              1.2444800        
S   1
  1      5.2110000              1.0000000        
S   1
  1      2.2910000              1.0000000        
S   1
  1      0.4837000              1.0000000        
S   1
  1      0.1855000              1.0000000        
P   6
  1   4678.0000000              0.0013440        
  2   1120.0000000              0.0118210        
  3    357.1000000              0.0582770        
  4    131.4000000              0.2185400        
  5     52.8600000              0.3975700        
  6     22.7000000              0.4411900        
P   3
  1      9.5470000              0.2688700        
  2      4.1670000              0.4938100        
  3      1.8110000              0.2506900        
P   1
  1      0.5337000              1.0000000        
P   1
  1      0.1654000              1.0000000        
D   5
  1    125.6000000              0.0156950        
  2     35.3100000              0.1030100        
  3     12.1500000              0.2996800        
  4      4.3500000              0.4117100        
  5      1.4940000              0.2154800        
D   1
  1      0.3180000              1.0000000        


name: Binning/Curtiss VTZ
description: VTZ Valence Triple Zeta: 3 Functions/valence AO
elt: Ga
data:
GALLIUM
S   6
  1 457600.0000000              0.0002210        
  2  68470.0000000              0.0017220        
  3  15590.0000000              0.0088660        
  4   4450.0000000              0.0359190        
  5   1472.0000000              0.1144600        
  6    541.3000000              0.2816300        
S   1
  1    214.8000000              1.0000000        
S   1
  1     88.8100000              1.0000000        
S   1
  1     27.1800000              1.0000000        
S   1
  1     11.5400000              1.0000000        
S   1
  1      3.3030000              1.0000000        
S   1
  1      1.3340000              1.0000000        
S   1
  1      0.1947000              1.0000000        
S   1
  1      0.0715800              1.0000000        
P   6
  1   3274.0000000              0.0014740        
  2    765.4000000              0.0132700        
  3    241.6000000              0.0653840        
  4     89.3900000              0.2296100        
  5     36.3600000              0.3992900        
  6     15.6000000              0.4359300        
P   1
  1      6.4720000              1.0000000        
P   1
  1      2.7480000              1.0000000        
P   1
  1      1.0900000              1.0000000        
P   1
  1      0.2202000              1.0000000        
P   1
  1      0.0613000              1.0000000        
D   4
  1     59.6600000              0.0319600        
  2     17.1000000              0.1635800        
  3      6.0300000              0.3672000        
  4      2.1710000              0.4570400        
D   1
  1      0.6844000              1.0000000        


name: Binning/Curtiss VTZ
description: VTZ Valence Triple Zeta: 3 Functions/valence AO
elt: Ge
data:
GERMANIUM
S   6
  1 489000.0000000              0.0002220        
  2  73100.0000000              0.0017280        
  3  16640.0000000              0.0089500        
  4   4742.0000000              0.0359050        
  5   1569.0000000              0.1128400        
  6    577.0000000              0.2874800        
S   1
  1    229.0000000              1.0000000        
S   1
  1     94.8100000              1.0000000        
S   1
  1     29.2200000              1.0000000        
S   1
  1     12.4500000              1.0000000        
S   1
  1      3.6420000              1.0000000        
S   1
  1      1.5020000              1.0000000        
S   1
  1      0.2462000              1.0000000        
S   1
  1      0.0920900              1.0000000        
P   6
  1   3596.0000000              0.0014420        
  2    843.7000000              0.0124420        
  3    266.2000000              0.0646940        
  4     98.2800000              0.2186650        
  5     39.9300000              0.3933500        
  6     17.1400000              0.4345300        
P   1
  1      7.1570000              1.0000000        
P   1
  1      3.0680000              1.0000000        
P   1
  1      1.2460000              1.0000000        
P   1
  1      0.2795000              1.0000000        
P   1
  1      0.0834000              1.0000000        
D   4
  1     70.1800000              0.0287700        
  2     20.0700000              0.1552500        
  3      7.0590000              0.3681400        
  4      2.5530000              0.4657800        
D   1
  1      0.8301000              1.0000000        


name: Binning/Curtiss VTZ
description: VTZ Valence Triple Zeta: 3 Functions/valence AO
elt: As
data:
ARSENIC
S   6
  1 526200.0000000              0.0002200        
  2  78310.0000000              0.0017200        
  3  17800.0000000              0.0088900        
  4   5070.0000000              0.0353500        
  5   1677.0000000              0.1122600        
  6    617.0000000              0.2862500        
S   1
  1    245.0000000              1.0000000        
S   1
  1    101.5000000              1.0000000        
S   1
  1     31.3900000              1.0000000        
S   1
  1     13.4300000              1.0000000        
S   1
  1      4.0000000              1.0000000        
S   1
  1      1.6830000              1.0000000        
S   1
  1      0.3003000              1.0000000        
S   1
  1      0.1137000              1.0000000        
P   6
  1   3909.0000000              0.0013300        
  2    924.0000000              0.0114000        
  3    291.8000000              0.0598100        
  4    107.5000000              0.2051100        
  5     43.6200000              0.3743200        
  6     18.7300000              0.4214100        
P   1
  1      7.8410000              1.0000000        
P   1
  1      3.3910000              1.0000000        
P   1
  1      1.4050000              1.0000000        
P   1
  1      0.3441000              1.0000000        
P   1
  1      0.1068000              1.0000000        
D   4
  1     81.5900000              0.0255800        
  2     23.2600000              0.1449200        
  3      8.1480000              0.3604400        
  4      2.9540000              0.4625500        
D   1
  1      0.9827000              1.0000000        


name: Binning/Curtiss VTZ
description: VTZ Valence Triple Zeta: 3 Functions/valence AO
elt: Se
data:
SELENIUM
S   6
  1 560600.0000000              0.0002200        
  2  84010.0000000              0.0017000        
  3  19030.0000000              0.0088300        
  4   5419.0000000              0.0350800        
  5   1792.0000000              0.1126600        
  6    659.5000000              0.2847100        
S   1
  1    262.0000000              1.0000000        
S   1
  1    108.6000000              1.0000000        
S   1
  1     33.6600000              1.0000000        
S   1
  1     14.4500000              1.0000000        
S   1
  1      4.3780000              1.0000000        
S   1
  1      1.8760000              1.0000000        
S   1
  1      0.3592000              1.0000000        
S   1
  1      0.1367000              1.0000000        
P   6
  1   4114.0000000              0.0011700        
  2    980.4000000              0.0098500        
  3    310.7000000              0.0517700        
  4    114.2000000              0.1786900        
  5     46.2600000              0.3250400        
  6     19.8700000              0.3608900        
P   1
  1      8.3090000              1.0000000        
P   1
  1      3.5980000              1.0000000        
P   1
  1      1.5220000              1.0000000        
P   1
  1      0.4032000              1.0000000        
P   1
  1      0.1231000              1.0000000        
D   4
  1     94.0300000              0.0206300        
  2     26.7900000              0.1222700        
  3      9.3360000              0.3197200        
  4      3.3830000              0.4173800        
D   1
  1      1.1450000              1.0000000        


name: Binning/Curtiss VTZ
description: VTZ Valence Triple Zeta: 3 Functions/valence AO
elt: Br
data:
BROMINE
S   6
  1 574300.0000000              0.0002200        
  2  89070.0000000              0.0016870        
  3  20210.0000000              0.0087460        
  4   5736.0000000              0.0355970        
  5   1899.0000000              0.1135200        
  6    698.7000000              0.2797300        
S   1
  1    277.8000000              1.0000000        
S   1
  1    115.2000000              1.0000000        
S   1
  1     35.9700000              1.0000000        
S   1
  1     15.5000000              1.0000000        
S   1
  1      4.7710000              1.0000000        
S   1
  1      2.0770000              1.0000000        
S   1
  1      0.4211000              1.0000000        
S   1
  1      0.1610000              1.0000000        
P   6
  1   4406.0000000              0.0013770        
  2   1042.0000000              0.0122070        
  3    332.1000000              0.0601900        
  4    121.9000000              0.2237000        
  5     49.2400000              0.4004700        
  6     21.1600000              0.4445800        
P   1
  1      8.8360000              1.0000000        
P   1
  1      3.8290000              1.0000000        
P   1
  1      1.6430000              1.0000000        
P   1
  1      0.4650000              1.0000000        
P   1
  1      0.1427000              1.0000000        
D   4
  1    108.4000000              0.0215210        
  2     30.7100000              0.1337600        
  3     10.6600000              0.3667300        
  4      3.8510000              0.4903700        
D   1
  1      1.3170000              1.0000000        


name: Binning/Curtiss VTZ
description: VTZ Valence Triple Zeta: 3 Functions/valence AO
elt: Kr
data:
KRYPTON
S   6
  1 605700.0000000              0.0002300        
  2  90300.0000000              0.0017430        
  3  20920.0000000              0.0090460        
  4   5889.0000000              0.0369010        
  5   1950.0000000              0.1174300        
  6    718.2000000              0.2861700        
S   1
  1    285.4000000              1.0000000        
S   1
  1    118.6000000              1.0000000        
S   1
  1     38.1600000              1.0000000        
S   1
  1     16.4500000              1.0000000        
S   1
  1      5.2110000              1.0000000        
S   1
  1      2.2910000              1.0000000        
S   1
  1      0.4837000              1.0000000        
S   1
  1      0.1855000              1.0000000        
P   6
  1   4678.0000000              0.0013440        
  2   1120.0000000              0.0118210        
  3    357.1000000              0.0582770        
  4    131.4000000              0.2185400        
  5     52.8600000              0.3975700        
  6     22.7000000              0.4411900        
P   1
  1      9.5470000              1.0000000        
P   1
  1      4.1670000              1.0000000        
P   1
  1      1.8110000              1.0000000        
P   1
  1      0.5337000              1.0000000        
P   1
  1      0.1654000              1.0000000        
D   4
  1    125.6000000              0.0156950        
  2     35.3100000              0.1030100        
  3     12.1500000              0.2996800        
  4      4.3500000              0.4117100        
D   1
  1      1.4940000              1.0000000        


name: Binning/Curtiss VTZP
description: VTZP Valence Triple Zeta + Polarization
elt: Ga
data:
GALLIUM
S   6
  1 457600.0000000              0.0002210        
  2  68470.0000000              0.0017220        
  3  15590.0000000              0.0088660        
  4   4450.0000000              0.0359190        
  5   1472.0000000              0.1144600        
  6    541.3000000              0.2816300        
S   1
  1    214.8000000              1.0000000        
S   1
  1     88.8100000              1.0000000        
S   1
  1     27.1800000              1.0000000        
S   1
  1     11.5400000              1.0000000        
S   1
  1      3.3030000              1.0000000        
S   1
  1      1.3340000              1.0000000        
S   1
  1      0.1947000              1.0000000        
S   1
  1      0.0715800              1.0000000        
P   6
  1   3274.0000000              0.0014740        
  2    765.4000000              0.0132700        
  3    241.6000000              0.0653840        
  4     89.3900000              0.2296100        
  5     36.3600000              0.3992900        
  6     15.6000000              0.4359300        
P   1
  1      6.4720000              1.0000000        
P   1
  1      2.7480000              1.0000000        
P   1
  1      1.0900000              1.0000000        
P   1
  1      0.2202000              1.0000000        
P   1
  1      0.0613000              1.0000000        
D   4
  1     59.6600000              0.0319600        
  2     17.1000000              0.1635800        
  3      6.0300000              0.3672000        
  4      2.1710000              0.4570400        
D   1
  1      0.6844000              1.0000000        
D   1
  1      0.1410000              1.0000000        
F   1
  1      0.1670000              1.0000000        


name: Binning/Curtiss VTZP
description: VTZP Valence Triple Zeta + Polarization
elt: Ge
data:
GERMANIUM
S   6
  1 489000.0000000              0.0002220        
  2  73100.0000000              0.0017280        
  3  16640.0000000              0.0089500        
  4   4742.0000000              0.0359050        
  5   1569.0000000              0.1128400        
  6    577.0000000              0.2874800        
S   1
  1    229.0000000              1.0000000        
S   1
  1     94.8100000              1.0000000        
S   1
  1     29.2200000              1.0000000        
S   1
  1     12.4500000              1.0000000        
S   1
  1      3.6420000              1.0000000        
S   1
  1      1.5020000              1.0000000        
S   1
  1      0.2462000              1.0000000        
S   1
  1      0.0920900              1.0000000        
P   6
  1   3596.0000000              0.0014420        
  2    843.7000000              0.0124420        
  3    266.2000000              0.0646940        
  4     98.2800000              0.2186650        
  5     39.9300000              0.3933500        
  6     17.1400000              0.4345300        
P   1
  1      7.1570000              1.0000000        
P   1
  1      3.0680000              1.0000000        
P   1
  1      1.2460000              1.0000000        
P   1
  1      0.2795000              1.0000000        
P   1
  1      0.0834000              1.0000000        
D   4
  1     70.1800000              0.0287700        
  2     20.0700000              0.1552500        
  3      7.0590000              0.3681400        
  4      2.5530000              0.4657800        
D   1
  1      0.8301000              1.0000000        
D   1
  1      0.2020000              1.0000000        
F   1
  1      0.2670000              1.0000000        


name: Binning/Curtiss VTZP
description: VTZP Valence Triple Zeta + Polarization
elt: As
data:
ARSENIC
S   6
  1 526200.0000000              0.0002200        
  2  78310.0000000              0.0017200        
  3  17800.0000000              0.0088900        
  4   5070.0000000              0.0353500        
  5   1677.0000000              0.1122600        
  6    617.0000000              0.2862500        
S   1
  1    245.0000000              1.0000000        
S   1
  1    101.5000000              1.0000000        
S   1
  1     31.3900000              1.0000000        
S   1
  1     13.4300000              1.0000000        
S   1
  1      4.0000000              1.0000000        
S   1
  1      1.6830000              1.0000000        
S   1
  1      0.3003000              1.0000000        
S   1
  1      0.1137000              1.0000000        
P   6
  1   3909.0000000              0.0013300        
  2    924.0000000              0.0114000        
  3    291.8000000              0.0598100        
  4    107.5000000              0.2051100        
  5     43.6200000              0.3743200        
  6     18.7300000              0.4214100        
P   1
  1      7.8410000              1.0000000        
P   1
  1      3.3910000              1.0000000        
P   1
  1      1.4050000              1.0000000        
P   1
  1      0.3441000              1.0000000        
P   1
  1      0.1068000              1.0000000        
D   4
  1     81.5900000              0.0255800        
  2     23.2600000              0.1449200        
  3      8.1480000              0.3604400        
  4      2.9540000              0.4625500        
D   1
  1      0.9827000              1.0000000        
D   1
  1      0.2730000              1.0000000        
F   1
  1      0.3720000              1.0000000        


name: Binning/Curtiss VTZP
description: VTZP Valence Triple Zeta + Polarization
elt: Se
data:
SELENIUM
S   6
  1 560600.0000000              0.0002200        
  2  84010.0000000              0.0017000        
  3  19030.0000000              0.0088300        
  4   5419.0000000              0.0350800        
  5   1792.0000000              0.1126600        
  6    659.5000000              0.2847100        
S   1
  1    262.0000000              1.0000000        
S   1
  1    108.6000000              1.0000000        
S   1
  1     33.6600000              1.0000000        
S   1
  1     14.4500000              1.0000000        
S   1
  1      4.3780000              1.0000000        
S   1
  1      1.8760000              1.0000000        
S   1
  1      0.3592000              1.0000000        
S   1
  1      0.1367000              1.0000000        
P   6
  1   4114.0000000              0.0011700        
  2    980.4000000              0.0098500        
  3    310.7000000              0.0517700        
  4    114.2000000              0.1786900        
  5     46.2600000              0.3250400        
  6     19.8700000              0.3608900        
P   1
  1      8.3090000              1.0000000        
P   1
  1      3.5980000              1.0000000        
P   1
  1      1.5220000              1.0000000        
P   1
  1      0.4032000              1.0000000        
P   1
  1      0.1231000              1.0000000        
D   4
  1     94.0300000              0.0206300        
  2     26.7900000              0.1222700        
  3      9.3360000              0.3197200        
  4      3.3830000              0.4173800        
D   1
  1      1.1450000              1.0000000        
D   1
  1      0.3150000              1.0000000        
F   1
  1      0.4000000              1.0000000        


name: Binning/Curtiss VTZP
description: VTZP Valence Triple Zeta + Polarization
elt: Br
data:
BROMINE
S   6
  1 574300.0000000              0.0002200        
  2  89070.0000000              0.0016870        
  3  20210.0000000              0.0087460        
  4   5736.0000000              0.0355970        
  5   1899.0000000              0.1135200        
  6    698.7000000              0.2797300        
S   1
  1    277.8000000              1.0000000        
S   1
  1    115.2000000              1.0000000        
S   1
  1     35.9700000              1.0000000        
S   1
  1     15.5000000              1.0000000        
S   1
  1      4.7710000              1.0000000        
S   1
  1      2.0770000              1.0000000        
S   1
  1      0.4211000              1.0000000        
S   1
  1      0.1610000              1.0000000        
P   6
  1   4406.0000000              0.0013770        
  2   1042.0000000              0.0122070        
  3    332.1000000              0.0601900        
  4    121.9000000              0.2237000        
  5     49.2400000              0.4004700        
  6     21.1600000              0.4445800        
P   1
  1      8.8360000              1.0000000        
P   1
  1      3.8290000              1.0000000        
P   1
  1      1.6430000              1.0000000        
P   1
  1      0.4650000              1.0000000        
P   1
  1      0.1427000              1.0000000        
D   4
  1    108.4000000              0.0215210        
  2     30.7100000              0.1337600        
  3     10.6600000              0.3667300        
  4      3.8510000              0.4903700        
D   1
  1      1.3170000              1.0000000        
D   1
  1      0.3380000              1.0000000        
F   1
  1      0.4010000              1.0000000        


name: Binning/Curtiss VTZP
description: VTZP Valence Triple Zeta + Polarization
elt: Kr
data:
KRYPTON
S   6
  1 605700.0000000              0.0002300        
  2  90300.0000000              0.0017430        
  3  20920.0000000              0.0090460        
  4   5889.0000000              0.0369010        
  5   1950.0000000              0.1174300        
  6    718.2000000              0.2861700        
S   1
  1    285.4000000              1.0000000        
S   1
  1    118.6000000              1.0000000        
S   1
  1     38.1600000              1.0000000        
S   1
  1     16.4500000              1.0000000        
S   1
  1      5.2110000              1.0000000        
S   1
  1      2.2910000              1.0000000        
S   1
  1      0.4837000              1.0000000        
S   1
  1      0.1855000              1.0000000        
P   6
  1   4678.0000000              0.0013440        
  2   1120.0000000              0.0118210        
  3    357.1000000              0.0582770        
  4    131.4000000              0.2185400        
  5     52.8600000              0.3975700        
  6     22.7000000              0.4411900        
P   1
  1      9.5470000              1.0000000        
P   1
  1      4.1670000              1.0000000        
P   1
  1      1.8110000              1.0000000        
P   1
  1      0.5337000              1.0000000        
P   1
  1      0.1654000              1.0000000        
D   4
  1    125.6000000              0.0156950        
  2     35.3100000              0.1030100        
  3     12.1500000              0.2996800        
  4      4.3500000              0.4117100        
D   1
  1      1.4940000              1.0000000        
D   1
  1      0.3180000              1.0000000        
F   1
  1      0.4010000              1.0000000        


name: Core/valence Functions (cc-pCV5Z)
description: 4T Tight functions
elt: B
data:
BORON
S   1
  1      6.4110000              1.0000000        
S   1
  1     14.5210000              1.0000000        
S   1
  1     32.8900000              1.0000000        
S   1
  1     74.4960000              1.0000000        
P   1
  1      5.1720000              1.0000000        
P   1
  1     13.2250000              1.0000000        
P   1
  1     33.8160000              1.0000000        
P   1
  1     86.4670000              1.0000000        
D   1
  1      7.0660000              1.0000000        
D   1
  1     19.7210000              1.0000000        
D   1
  1     55.0420000              1.0000000        
F   1
  1      9.9940000              1.0000000        
F   1
  1     33.0900000              1.0000000        
G   1
  1     24.0200000              1.0000000        


name: Core/valence Functions (cc-pCV5Z)
description: 4T Tight functions
elt: C
data:
CARBON
S   1
  1      9.1850000              1.0000000        
S   1
  1     20.7950000              1.0000000        
S   1
  1     47.0800000              1.0000000        
S   1
  1    106.5880000              1.0000000        
P   1
  1      7.6680000              1.0000000        
P   1
  1     19.4840000              1.0000000        
P   1
  1     49.5100000              1.0000000        
P   1
  1    125.8040000              1.0000000        
D   1
  1     10.0090000              1.0000000        
D   1
  1     28.0650000              1.0000000        
D   1
  1     78.6950000              1.0000000        
F   1
  1     11.6930000              1.0000000        
F   1
  1     41.5690000              1.0000000        
G   1
  1     32.7800000              1.0000000        


name: Core/valence Functions (cc-pCV5Z)
description: 4T Tight functions
elt: N
data:
NITROGEN
S   1
  1     12.2750000              1.0000000        
S   1
  1     27.8270000              1.0000000        
S   1
  1     63.0850000              1.0000000        
S   1
  1    143.0130000              1.0000000        
P   1
  1     10.7600000              1.0000000        
P   1
  1     27.1800000              1.0000000        
P   1
  1     68.6560000              1.0000000        
P   1
  1    173.4250000              1.0000000        
D   1
  1     14.0530000              1.0000000        
D   1
  1     39.0810000              1.0000000        
D   1
  1    108.6850000              1.0000000        
F   1
  1     14.3570000              1.0000000        
F   1
  1     52.6900000              1.0000000        
G   1
  1     41.1200000              1.0000000        


name: Core/valence Functions (cc-pCV5Z)
description: 4T Tight functions
elt: O
data:
OXYGEN
S   1
  1     15.6450000              1.0000000        
S   1
  1     35.8740000              1.0000000        
S   1
  1     82.2590000              1.0000000        
S   1
  1    188.6200000              1.0000000        
P   1
  1     14.0490000              1.0000000        
P   1
  1     35.4460000              1.0000000        
P   1
  1     89.4290000              1.0000000        
P   1
  1    225.6300000              1.0000000        
D   1
  1     16.7030000              1.0000000        
D   1
  1     47.3200000              1.0000000        
D   1
  1    134.0560000              1.0000000        
F   1
  1     17.3540000              1.0000000        
F   1
  1     65.5460000              1.0000000        
G   1
  1     48.5780000              1.0000000        


name: Core/valence Functions (cc-pCV5Z)
description: 4T Tight functions
elt: F
data:
FLUORINE
S   1
  1     19.8760000              1.0000000        
S   1
  1     44.8800000              1.0000000        
S   1
  1    101.3390000              1.0000000        
S   1
  1    228.8240000              1.0000000        
P   1
  1     17.3060000              1.0000000        
P   1
  1     43.6630000              1.0000000        
P   1
  1    110.1620000              1.0000000        
P   1
  1    277.9380000              1.0000000        
D   1
  1     21.7310000              1.0000000        
D   1
  1     60.9550000              1.0000000        
D   1
  1    170.8900000              1.0000000        
F   1
  1     22.3370000              1.0000000        
F   1
  1     82.2900000              1.0000000        
G   1
  1     49.7270000              1.0000000        


name: Core/valence Functions (cc-pCV5Z)
description: 4T Tight functions
elt: Ne
data:
NEON
S   1
  1     24.3130000              1.0000000        
S   1
  1     54.6800000              1.0000000        
S   1
  1    122.9750000              1.0000000        
S   1
  1    276.5710000              1.0000000        
P   1
  1     21.3090000              1.0000000        
P   1
  1     53.7200000              1.0000000        
P   1
  1    135.4280000              1.0000000        
P   1
  1    341.4140000              1.0000000        
D   1
  1     27.0440000              1.0000000        
D   1
  1     75.7500000              1.0000000        
D   1
  1    212.1760000              1.0000000        
F   1
  1     28.0290000              1.0000000        
F   1
  1    102.5860000              1.0000000        
G   1
  1     38.7940000              1.0000000        


name: Core/valence Functions (cc-pCV5Z)
description: 4T Tight functions
elt: Na
data:
SODIUM
S   1
  1    157.4890000              1.0000000        
S   1
  1     27.9270000              1.0000000        
S   1
  1      4.9520000              1.0000000        
S   1
  1      0.8780000              1.0000000        
P   1
  1      9.8690000              1.0000000        
P   1
  1      4.4140000              1.0000000        
P   1
  1      1.9740000              1.0000000        
P   1
  1      0.8830000              1.0000000        
D   1
  1     14.4010000              1.0000000        
D   1
  1      6.1840000              1.0000000        
D   1
  1      2.6560000              1.0000000        
D   1
  1      1.1400000              1.0000000        
F   1
  1     10.5240000              1.0000000        
F   1
  1      4.4050000              1.0000000        
F   1
  1      1.8440000              1.0000000        
G   1
  1      7.3260000              1.0000000        
G   1
  1      2.7270000              1.0000000        
H   1
  1      5.1330000              1.0000000        


name: Core/valence Functions (cc-pCV5Z)
description: 4T Tight functions
elt: Mg
data:
MAGNESIUM
S   1
  1     14.3960000              1.0000000        
S   1
  1      8.1290000              1.0000000        
S   1
  1      4.5900000              1.0000000        
S   1
  1      2.5920000              1.0000000        
P   1
  1     67.7730000              1.0000000        
P   1
  1     24.8870000              1.0000000        
P   1
  1      9.1390000              1.0000000        
P   1
  1      3.3560000              1.0000000        
D   1
  1     24.8230000              1.0000000        
D   1
  1     11.8200000              1.0000000        
D   1
  1      5.6290000              1.0000000        
D   1
  1      2.3030000              1.0000000        
F   1
  1     13.0000000              1.0000000        
F   1
  1      5.4710000              1.0000000        
F   1
  1      2.3030000              1.0000000        
G   1
  1      9.3890000              1.0000000        
G   1
  1      3.5300000              1.0000000        
H   1
  1      6.7210000              1.0000000        


name: Core/valence Functions (cc-pCV5Z)
description: 4T Tight functions
elt: Al
data:
ALUMINUM
D   1
  1     30.2400000              1.0000000        
D   1
  1     14.2490000              1.0000000        
D   1
  1      6.7142000              1.0000000        
D   1
  1      3.1630000              1.0000000        
F   1
  1     15.6410000              1.0000000        
F   1
  1      6.5270000              1.0000000        
F   1
  1      2.7240000              1.0000000        
G   1
  1     11.8300000              1.0000000        
G   1
  1      4.5020000              1.0000000        
H   1
  1      8.5080000              1.0000000        


name: Core/valence Functions (cc-pCV5Z)
description: 4T Tight functions
elt: Si
data:
SILICON
D   1
  1     39.9340000              1.0000000        
D   1
  1     19.4830000              1.0000000        
D   1
  1      9.5050000              1.0000000        
D   1
  1      4.6380000              1.0000000        
F   1
  1     18.9640000              1.0000000        
F   1
  1      7.9560000              1.0000000        
F   1
  1      3.3380000              1.0000000        
G   1
  1     14.5040000              1.0000000        
G   1
  1      5.5810000              1.0000000        
H   1
  1     10.5360000              1.0000000        


name: Core/valence Functions (cc-pCV5Z)
description: 4T Tight functions
elt: P
data:
PHOSPHOROUS
D   1
  1     48.4830000              1.0000000        
D   1
  1     23.8780000              1.0000000        
D   1
  1     11.7600000              1.0000000        
D   1
  1      5.7920000              1.0000000        
F   1
  1     22.9200000              1.0000000        
F   1
  1      9.6830000              1.0000000        
F   1
  1      4.0910000              1.0000000        
G   1
  1     17.3220000              1.0000000        
G   1
  1      6.7170000              1.0000000        
H   1
  1     12.8110000              1.0000000        


name: Core/valence Functions (cc-pCV5Z)
description: 4T Tight functions
elt: S
data:
SULFUR
D   1
  1     56.6940000              1.0000000        
D   1
  1     28.0700000              1.0000000        
D   1
  1     13.8980000              1.0000000        
D   1
  1      6.8810000              1.0000000        
F   1
  1     26.3820000              1.0000000        
F   1
  1     11.0720000              1.0000000        
F   1
  1      4.6470000              1.0000000        
G   1
  1     20.3460000              1.0000000        
G   1
  1      7.9080000              1.0000000        
H   1
  1     15.3060000              1.0000000        


name: Core/valence Functions (cc-pCV5Z)
description: 4T Tight functions
elt: Cl
data:
CHLORINE
D   1
  1     65.8370000              1.0000000        
D   1
  1     32.6870000              1.0000000        
D   1
  1     16.2280000              1.0000000        
D   1
  1      8.0570000              1.0000000        
F   1
  1     30.6910000              1.0000000        
F   1
  1     12.8840000              1.0000000        
F   1
  1      5.4090000              1.0000000        
G   1
  1     23.4460000              1.0000000        
G   1
  1      9.1210000              1.0000000        
H   1
  1     18.0660000              1.0000000        


name: Core/valence Functions (cc-pCV5Z)
description: 4T Tight functions
elt: Ar
data:
ARGON
D   1
  1     76.8080000              1.0000000        
D   1
  1     38.7370000              1.0000000        
D   1
  1     19.5370000              1.0000000        
D   1
  1      9.8530000              1.0000000        
F   1
  1     35.8730000              1.0000000        
F   1
  1     15.1400000              1.0000000        
F   1
  1      6.3900000              1.0000000        
G   1
  1     26.5600000              1.0000000        
G   1
  1     10.3060000              1.0000000        
H   1
  1     21.1040000              1.0000000        


name: Core/valence Functions (cc-pCV5Z)
description: 4T Tight functions
elt: Ca
data:
CALCIUM
D   1
  1      5.6203000              1.0000000        
D   1
  1      3.2886000              1.0000000        
D   1
  1      1.9242000              1.0000000        
D   1
  1      1.1259000              1.0000000        
F   1
  1      4.6792000              1.0000000        
F   1
  1      2.7433000              1.0000000        
F   1
  1      1.6083000              1.0000000        
G   1
  1      2.3770000              1.0000000        
G   1
  1      1.1626000              1.0000000        
H   1
  1      1.9816000              1.0000000        


name: CVTZ
description: N/A
elt: Li
data:
LITHIUM
S   11
  1      0.59880000E+04         0.13300000E-03   
  2      0.89890000E+03         0.10250000E-02   
  3      0.20590000E+03         0.52720000E-02   
  4      0.59240000E+02         0.20929000E-01   
  5      0.19870000E+02         0.66340000E-01   
  6      0.74060000E+01         0.16577500E+00   
  7      0.29300000E+01         0.31503800E+00   
  8      0.11890000E+01         0.39352300E+00   
  9      0.47980000E+00         0.19087000E+00   
 10      0.75090000E-01         0.54140000E-02   
 11      0.28320000E-01        -0.13280000E-02   
S   11
  1      0.59880000E+04        -0.21000000E-04   
  2      0.89890000E+03        -0.16100000E-03   
  3      0.20590000E+03        -0.82000000E-03   
  4      0.59240000E+02        -0.33260000E-02   
  5      0.19870000E+02        -0.10519000E-01   
  6      0.74060000E+01        -0.28097000E-01   
  7      0.29300000E+01        -0.55936000E-01   
  8      0.11890000E+01        -0.99237000E-01   
  9      0.47980000E+00        -0.11218900E+00   
 10      0.75090000E-01         0.56788900E+00   
 11      0.28320000E-01         0.53038200E+00   
S   1
  1      0.75090000E-01         1.0000000        
S   1
  1      0.28320000E-01         1.0000000        
S   1
  1      1.6623733541           1.0000000        
S   1
  1      4.9087410257           1.0000000        
P   5
  1      0.32660000E+01         0.86300000E-02   
  2      0.65110000E+00         0.47538000E-01   
  3      0.16960000E+00         0.20977200E+00   
  4      0.55780000E-01         0.52852200E+00   
  5      0.20500000E-01         0.38274400E+00   
P   1
  1      0.55780000E-01         1.0000000        
P   1
  1      0.20500000E-01         1.0000000        
P   1
  1      1.9801361590           1.0000000        
P   1
  1      7.7374111536           1.0000000        
D   1
  1      0.18740000E+00         1.0000000        
D   1
  1      0.80100000E-01         1.0000000        
D   1
  1      4.8814932277           1.0000000        
F   1
  1      0.18290000E+00         1.0000000        


name: CVTZ
description: N/A
elt: Be
data:
BERYLLIUM
S   11
  1      0.68630000E+04         0.23603569E-03   
  2      0.10300000E+04         0.18264478E-02   
  3      0.23470000E+03         0.94516046E-02   
  4      0.66560000E+02         0.37956905E-01   
  5      0.21690000E+02         0.11996483E+00   
  6      0.77340000E+01         0.28216178E+00   
  7      0.29160000E+01         0.42740399E+00   
  8      0.11300000E+01         0.26627800E+00   
  9      0.25770000E+00         0.18193015E-01   
 10      0.11010000E+00        -0.72751949E-02   
 11      0.44090000E-01         0.19032814E-02   
S   11
  1      0.68630000E+04        -0.43079899E-04   
  2      0.10300000E+04        -0.33255552E-03   
  3      0.23470000E+03        -0.17361462E-02   
  4      0.66560000E+02        -0.70117525E-02   
  5      0.21690000E+02        -0.23125620E-01   
  6      0.77340000E+01        -0.58137619E-01   
  7      0.29160000E+01        -0.11455592E+00   
  8      0.11300000E+01        -0.13590810E+00   
  9      0.25770000E+00         0.22802609E+00   
 10      0.11010000E+00         0.57744067E+00   
 11      0.44090000E-01         0.31787332E+00   
S   1
  1      0.25770000E+00         1.0000000        
S   1
  1      0.44090000E-01         1.0000000        
S   1
  1      1.6452178654           1.0000000        
S   1
  1      4.7235314402           1.0000000        
P   5
  1      0.74360000E+01         0.10736034E-01   
  2      0.15770000E+01         0.62853547E-01   
  3      0.43520000E+00         0.24817977E+00   
  4      0.14380000E+00         0.52369883E+00   
  5      0.49940000E-01         0.35342527E+00   
P   1
  1      0.14380000E+00         1.0000000        
P   1
  1      0.49940000E-01         1.0000000        
P   1
  1      3.7976623259           1.0000000        
P   1
  1     14.5493526003           1.0000000        
D   1
  1      0.34800000E+00         1.0000000        
D   1
  1      0.18030000E+00         1.0000000        
D   1
  1      9.1830456548           1.0000000        
F   1
  1      0.32500000E+00         1.0000000        


name: CVTZ
description: N/A
elt: Na
data:
SODIUM
S   16
  1      0.42300000E+06         0.18061800E-04   
  2      0.63340000E+05         0.14043000E-03   
  3      0.14410000E+05         0.73843800E-03   
  4      0.40770000E+04         0.31118200E-02   
  5      0.13280000E+04         0.11208100E-01   
  6      0.47860000E+03         0.35282800E-01   
  7      0.18620000E+03         0.95989700E-01   
  8      0.76920000E+02         0.21373500E+00   
  9      0.33320000E+02         0.34868800E+00   
 10      0.15000000E+02         0.32456600E+00   
 11      0.68690000E+01         0.11263300E+00   
 12      0.26830000E+01         0.70679700E-02   
 13      0.11090000E+01         0.59801000E-03   
 14      0.45400000E+00         0.20413000E-03   
 15      0.60150000E-01        -0.53087000E-05   
 16      0.23820000E-01         0.18260500E-05   
S   16
  1      0.42300000E+06        -0.44065300E-05   
  2      0.63340000E+05        -0.34344300E-04   
  3      0.14410000E+05        -0.18011400E-03   
  4      0.40770000E+04        -0.76390000E-03   
  5      0.13280000E+04        -0.27524800E-02   
  6      0.47860000E+03        -0.88601600E-02   
  7      0.18620000E+03        -0.24793900E-01   
  8      0.76920000E+02        -0.60599500E-01   
  9      0.33320000E+02        -0.11644600E+00   
 10      0.15000000E+02        -0.16243700E+00   
 11      0.68690000E+01        -0.43889100E-01   
 12      0.26830000E+01         0.33791700E+00   
 13      0.11090000E+01         0.56134700E+00   
 14      0.45400000E+00         0.24524000E+00   
 15      0.60150000E-01         0.40675400E-02   
 16      0.23820000E-01        -0.12674600E-02   
S   16
  1      0.42300000E+06         0.66301900E-06   
  2      0.63340000E+05         0.51576900E-05   
  3      0.14410000E+05         0.27125000E-04   
  4      0.40770000E+04         0.11463500E-03   
  5      0.13280000E+04         0.41511800E-03   
  6      0.47860000E+03         0.13297800E-02   
  7      0.18620000E+03         0.37559500E-02   
  8      0.76920000E+02         0.91402500E-02   
  9      0.33320000E+02         0.17985900E-01   
 10      0.15000000E+02         0.25147700E-01   
 11      0.68690000E+01         0.76352200E-02   
 12      0.26830000E+01        -0.61458900E-01   
 13      0.11090000E+01        -0.11572100E+00   
 14      0.45400000E+00        -0.15890600E+00   
 15      0.60150000E-01         0.62640600E+00   
 16      0.23820000E-01         0.47540200E+00   
S   1
  1      0.45400000E+00         1.0000000        
S   1
  1      0.23820000E-01         1.0000000        
S   1
  1      0.9727005242           1.0000000        
S   1
  1      4.8679536692           1.0000000        
P   10
  1      0.24330000E+03         0.22439200E-02   
  2      0.57390000E+02         0.17399700E-01   
  3      0.18100000E+02         0.77412500E-01   
  4      0.65750000E+01         0.21910200E+00   
  5      0.25210000E+01         0.37852200E+00   
  6      0.96070000E+00         0.39490200E+00   
  7      0.35120000E+00         0.16042400E+00   
  8      0.98270000E-01         0.23331100E-02   
  9      0.37340000E-01         0.19953600E-02   
 10      0.15000000E-01        -0.77734400E-03   
P   10
  1      0.24330000E+03        -0.22240100E-03   
  2      0.57390000E+02        -0.17427700E-02   
  3      0.18100000E+02        -0.77545600E-02   
  4      0.65750000E+01        -0.22518700E-01   
  5      0.25210000E+01        -0.38433000E-01   
  6      0.96070000E+00        -0.45017700E-01   
  7      0.35120000E+00        -0.19213200E-01   
  8      0.98270000E-01         0.18269700E+00   
  9      0.37340000E-01         0.55789700E+00   
 10      0.15000000E-01         0.37302200E+00   
P   1
  1      0.37340000E-01         1.0000000        
P   1
  1      0.15000000E-01         1.0000000        
P   1
  1      0.6447590117           1.0000000        
P   1
  1      1.9533692330           1.0000000        
D   1
  1      0.13670000E+00         1.0000000        
D   1
  1      0.63600000E-01         1.0000000        
D   1
  1      1.6002329770           1.0000000        
D   1
  1      5.4055870011           1.0000000        
F   1
  1      0.13970000E+00         1.0000000        
F   1
  1      3.4309079349           1.0000000        


name: CVTZ
description: N/A
elt: Mg
data:
MAGNESIUM
S   15
  1      0.16490000E+06         0.72992852E-04   
  2      0.24710000E+05         0.56665208E-03   
  3      0.56280000E+04         0.29626934E-02   
  4      0.15960000E+04         0.12296244E-01   
  5      0.52100000E+03         0.42732390E-01   
  6      0.18800000E+03         0.12301339E+00   
  7      0.73010000E+02         0.27483212E+00   
  8      0.29900000E+02         0.40181847E+00   
  9      0.12540000E+02         0.26469734E+00   
 10      0.43060000E+01         0.33261243E-01   
 11      0.18260000E+01        -0.44133529E-02   
 12      0.74170000E+00         0.20602406E-02   
 13      0.14570000E+00        -0.83847033E-03   
 14      0.76120000E-01         0.70819497E-03   
 15      0.33100000E-01        -0.20060176E-03   
S   15
  1      0.16490000E+06        -0.18424833E-04   
  2      0.24710000E+05        -0.14350020E-03   
  3      0.56280000E+04        -0.74871024E-03   
  4      0.15960000E+04        -0.31440747E-02   
  5      0.52100000E+03        -0.11048121E-01   
  6      0.18800000E+03        -0.33605846E-01   
  7      0.73010000E+02        -0.82594554E-01   
  8      0.29900000E+02        -0.15931351E+00   
  9      0.12540000E+02        -0.15288784E+00   
 10      0.43060000E+01         0.19084949E+00   
 11      0.18260000E+01         0.57996406E+00   
 12      0.74170000E+00         0.37202938E+00   
 13      0.14570000E+00         0.21169123E-01   
 14      0.76120000E-01        -0.11934365E-01   
 15      0.33100000E-01         0.27732867E-02   
S   15
  1      0.16490000E+06         0.35517561E-05   
  2      0.24710000E+05         0.27642017E-04   
  3      0.56280000E+04         0.14440388E-03   
  4      0.15960000E+04         0.60574423E-03   
  5      0.52100000E+03         0.21352674E-02   
  6      0.18800000E+03         0.64993445E-02   
  7      0.73010000E+02         0.16144594E-01   
  8      0.29900000E+02         0.31576557E-01   
  9      0.12540000E+02         0.31637441E-01   
 10      0.43060000E+01        -0.43914029E-01   
 11      0.18260000E+01        -0.15109333E+00   
 12      0.74170000E+00        -0.21766839E+00   
 13      0.14570000E+00         0.25980682E+00   
 14      0.76120000E-01         0.54724537E+00   
 15      0.33100000E-01         0.32590951E+00   
S   1
  1      0.14570000E+00         1.0000000        
S   1
  1      0.33100000E-01         1.0000000        
S   1
  1      0.9205872712           1.0000000        
S   1
  1      5.7787885890           1.0000000        
P   10
  1      0.31690000E+03         0.20753175E-02   
  2      0.74860000E+02         0.16286888E-01   
  3      0.23720000E+02         0.73869726E-01   
  4      0.86690000E+01         0.21429700E+00   
  5      0.33630000E+01         0.38215378E+00   
  6      0.13100000E+01         0.39817821E+00   
  7      0.49110000E+00         0.15287777E+00   
  8      0.23640000E+00        -0.43753955E-02   
  9      0.87330000E-01         0.62958244E-02   
 10      0.32370000E-01        -0.15676869E-02   
P   10
  1      0.31690000E+03        -0.32972687E-03   
  2      0.74860000E+02        -0.25875416E-02   
  3      0.23720000E+02        -0.11912032E-01   
  4      0.86690000E+01        -0.35022673E-01   
  5      0.33630000E+01        -0.63996825E-01   
  6      0.13100000E+01        -0.70443568E-01   
  7      0.49110000E+00        -0.37583553E-01   
  8      0.23640000E+00         0.17704345E+00   
  9      0.87330000E-01         0.56670743E+00   
 10      0.32370000E-01         0.39614295E+00   
P   1
  1      0.87330000E-01         1.0000000        
P   1
  1      0.32370000E-01         1.0000000        
P   1
  1      1.0535210745           1.0000000        
P   1
  1      3.0364235255           1.0000000        
D   1
  1      0.29400000E+00         1.0000000        
D   1
  1      0.12600000E+00         1.0000000        
D   1
  1      2.1460271700           1.0000000        
D   1
  1      7.0378303861           1.0000000        
F   1
  1      0.25200000E+00         1.0000000        
F   1
  1      4.4855713424           1.0000000        


name: CVTZ
description: N/A
elt: K
data:
POTASSIUM
S   22
  1      0.1909345665E-01      -0.00000170819    
  2      0.4899385705E-01       0.00000699165    
  3      0.1182168340E+00      -0.00001809213    
  4      0.2707202135E+00       0.00003117837    
  5      0.5938663979E+00      -0.00010344594    
  6      0.1259524369E+01       0.00008710641    
  7      0.2606736858E+01      -0.00016757678    
  8      0.5313536284E+01       0.00125808438    
  9      0.1076685816E+02       0.00913591060    
 10      0.2188952107E+02       0.10895583344    
 11      0.4506594658E+02       0.30039305255    
 12      0.9483065478E+02       0.33537488908    
 13      0.2058543544E+03       0.22119256766    
 14      0.4652704464E+03       0.10854981691    
 15      0.1105116392E+04       0.04410869165    
 16      0.2784138023E+04       0.01568328689    
 17      0.7508907135E+04       0.00498550345    
 18      0.2188209905E+05       0.00142662090    
 19      0.6954253913E+05       0.00036398591    
 20      0.2432677111E+06       0.00008331461    
 21      0.9453960843E+06       0.00001580589    
 22      0.4119661925E+07       0.00000344355    
S   22
  1      0.1909345665E-01       0.00007476174    
  2      0.4899385705E-01      -0.00030556558    
  3      0.1182168340E+00       0.00077725159    
  4      0.2707202135E+00      -0.00103645061    
  5      0.5938663979E+00       0.00486619689    
  6      0.1259524369E+01       0.02612372005    
  7      0.2606736858E+01       0.30358239386    
  8      0.5313536284E+01       0.55962134674    
  9      0.1076685816E+02       0.27423535789    
 10      0.2188952107E+02      -0.06055290481    
 11      0.4506594658E+02      -0.17786036037    
 12      0.9483065478E+02      -0.14013397379    
 13      0.2058543544E+03      -0.07577920879    
 14      0.4652704464E+03      -0.03378770768    
 15      0.1105116392E+04      -0.01310950419    
 16      0.2784138023E+04      -0.00456764015    
 17      0.7508907135E+04      -0.00143919283    
 18      0.2188209905E+05      -0.00041054334    
 19      0.6954253913E+05      -0.00010460045    
 20      0.2432677111E+06      -0.00002393715    
 21      0.9453960843E+06      -0.00000453996    
 22      0.4119661925E+07      -0.00000098919    
S   22
  1      0.1909345665E-01      -0.00052118030    
  2      0.4899385705E-01       0.00314756221    
  3      0.1182168340E+00       0.01579361240    
  4      0.2707202135E+00       0.36924562377    
  5      0.5938663979E+00       0.65572135783    
  6      0.1259524369E+01       0.23865097576    
  7      0.2606736858E+01      -0.29678753570    
  8      0.5313536284E+01      -0.33875730699    
  9      0.1076685816E+02      -0.11351151923    
 10      0.2188952107E+02       0.02158282957    
 11      0.4506594658E+02       0.06396961857    
 12      0.9483065478E+02       0.04785489531    
 13      0.2058543544E+03       0.02549313002    
 14      0.4652704464E+03       0.01120366429    
 15      0.1105116392E+04       0.00434164416    
 16      0.2784138023E+04       0.00150532894    
 17      0.7508907135E+04       0.00047501650    
 18      0.2188209905E+05       0.00013518086    
 19      0.6954253913E+05       0.00003450013    
 20      0.2432677111E+06       0.00000788201    
 21      0.9453960843E+06       0.00000149716    
 22      0.4119661925E+07       0.00000032581    
S   22
  1      0.1909345665E-01       0.63278989642    
  2      0.4899385705E-01       0.57795131641    
  3      0.1182168340E+00      -0.13209250671    
  4      0.2707202135E+00      -0.19781896078    
  5      0.5938663979E+00      -0.17460607725    
  6      0.1259524369E+01      -0.05816470700    
  7      0.2606736858E+01       0.06256403459    
  8      0.5313536284E+01       0.07079819436    
  9      0.1076685816E+02       0.02217278529    
 10      0.2188952107E+02      -0.00407782912    
 11      0.4506594658E+02      -0.01252150751    
 12      0.9483065478E+02      -0.00925645546    
 13      0.2058543544E+03      -0.00494138378    
 14      0.4652704464E+03      -0.00216266685    
 15      0.1105116392E+04      -0.00083966852    
 16      0.2784138023E+04      -0.00029049645    
 17      0.7508907135E+04      -0.00009181052    
 18      0.2188209905E+05      -0.00002608961    
 19      0.6954253913E+05      -0.00000666671    
 20      0.2432677111E+06      -0.00000152138    
 21      0.9453960843E+06      -0.00000028928    
 22      0.4119661925E+07      -0.00000006290    
S   1
  1      0.0181486651           1.0000000        
S   1
  1      0.0507479214           1.0000000        
S   1
  1      0.3458959019           1.0000000        
S   1
  1      1.7791738252           1.0000000        
P   14
  1      0.1288263088E+00       0.00000693267    
  2      0.3027945265E+00       0.00004960813    
  3      0.6624491061E+00       0.00134037127    
  4      0.1375023171E+01       0.02436951461    
  5      0.2760021556E+01       0.15954505194    
  6      0.5460744403E+01       0.32823122847    
  7      0.1085475691E+02       0.32552542139    
  8      0.2209577254E+02       0.21419159673    
  9      0.4694734906E+02       0.10139861629    
 10      0.1061250022E+03       0.03555596279    
 11      0.2601483426E+03       0.00970633659    
 12      0.7048765891E+03       0.00205833615    
 13      0.2151719924E+04       0.00033225264    
 14      0.7542772099E+04       0.00004748204    
P   14
  1      0.1288263088E+00       0.07915000431    
  2      0.3027945265E+00       0.35739406322    
  3      0.6624491061E+00       0.44624869562    
  4      0.1375023171E+01       0.25495277653    
  5      0.2760021556E+01       0.00178930522    
  6      0.5460744403E+01      -0.12045436198    
  7      0.1085475691E+02      -0.11074433452    
  8      0.2209577254E+02      -0.07045838348    
  9      0.4694734906E+02      -0.03220155813    
 10      0.1061250022E+03      -0.01105836632    
 11      0.2601483426E+03      -0.00297653829    
 12      0.7048765891E+03      -0.00062963218    
 13      0.2151719924E+04      -0.00010111782    
 14      0.7542772099E+04      -0.00001449018    
P   1
  1      0.0275233530           1.0000000        
P   1
  1      0.0598342601           1.0000000        
P   1
  1      0.2236708155           1.0000000        
P   1
  1      0.5294791856           1.0000000        
P   1
  1      2.5987944798           1.0000000        
D   1
  1      0.0598916844           1.0000000        
D   1
  1      0.4311105955           1.0000000        
D   1
  1      1.0358684196           1.0000000        
D   1
  1      2.5856768395           1.0000000        
F   1
  1      0.0887804601           1.0000000        
F   1
  1      1.1289185352           1.0000000        


name: CVTZ
description: N/A
elt: Ca
data:
CALCIUM
S   22
  1      0.0254108441803       -0.00000238       
  2      0.0630307004441        0.00000950       
  3      0.1478138859055       -0.00002436       
  4      0.3306287416437        0.00004424       
  5      0.7116401635679       -0.00012829       
  6      1.4869863512959        0.00011531       
  7      3.0430732505456       -0.00021688       
  8      6.1533119329301        0.00132105       
  9     12.4030577392801        0.01054215       
 10     25.1422485957806        0.11698026       
 11     51.7091253452967        0.30641477       
 12    108.8554557050285        0.33226934       
 13    236.6384704702638        0.21552371       
 14    535.9260256533751        0.10463039       
 15   1275.6775212307653        0.04219866       
 16   3219.7764745844952        0.01492711       
 17   8693.4370914503652        0.00472921       
 18  25332.0589264397786        0.00135120       
 19  80370.1635951880162        0.00034488       
 20 280089.4895136958221        0.00007922       
 21 1081704.3511574361473       0.00001509       
 22 4670489.0073897046968       0.00000334       
S   22
  1      0.0254108441803        0.00007752       
  2      0.0630307004441       -0.00030441       
  3      0.1478138859055        0.00076909       
  4      0.3306287416437       -0.00103646       
  5      0.7116401635679        0.00490140       
  6      1.4869863512959        0.03080040       
  7      3.0430732505456        0.31571028       
  8      6.1533119329301        0.55947885       
  9     12.4030577392801        0.26191142       
 10     25.1422485957806       -0.07091442       
 11     51.7091253452967       -0.18042054       
 12    108.8554557050285       -0.13893101       
 13    236.6384704702638       -0.07425808       
 14    535.9260256533751       -0.03283320       
 15   1275.6775212307653       -0.01265980       
 16   3219.7764745844952       -0.00439118       
 17   8693.4370914503652       -0.00137934       
 18  25332.0589264397786       -0.00039292       
 19  80370.1635951880162       -0.00010015       
 20 280089.4895136958221       -0.00002300       
 21 1081704.3511574361473      -0.00000438       
 22 4670489.0073897046968      -0.00000097       
S   22
  1      0.0254108441803       -0.00103986       
  2      0.0630307004441        0.00382724       
  3      0.1478138859055        0.00781953       
  4      0.3306287416437        0.35108906       
  5      0.7116401635679        0.69072014       
  6      1.4869863512959        0.24098390       
  7      3.0430732505456       -0.31815625       
  8      6.1533119329301       -0.35516646       
  9     12.4030577392801       -0.11408178       
 10     25.1422485957806        0.02693817       
 11     51.7091253452967        0.06789572       
 12    108.8554557050285        0.04968204       
 13    236.6384704702638        0.02613839       
 14    535.9260256533751        0.01139580       
 15   1275.6775212307653        0.00438697       
 16   3219.7764745844952        0.00151463       
 17   8693.4370914503652        0.00047638       
 18  25332.0589264397786        0.00013540       
 19  80370.1635951880162        0.00003457       
 20 280089.4895136958221        0.00000793       
 21 1081704.3511574361473       0.00000151       
 22 4670489.0073897046968       0.00000033       
S   22
  1      0.0254108441803        0.47080628       
  2      0.0630307004441        0.67540427       
  3      0.1478138859055        0.04170744       
  4      0.3306287416437       -0.28604603       
  5      0.7116401635679       -0.24547194       
  6      1.4869863512959       -0.07383289       
  7      3.0430732505456        0.08460201       
  8      6.1533119329301        0.09257505       
  9     12.4030577392801        0.02777254       
 10     25.1422485957806       -0.00640491       
 11     51.7091253452967       -0.01642939       
 12    108.8554557050285       -0.01189845       
 13    236.6384704702638       -0.00626256       
 14    535.9260256533751       -0.00272107       
 15   1275.6775212307653       -0.00104869       
 16   3219.7764745844952       -0.00036147       
 17   8693.4370914503652       -0.00011381       
 18  25332.0589264397786       -0.00003231       
 19  80370.1635951880162       -0.00000826       
 20 280089.4895136958221       -0.00000189       
 21 1081704.3511574361473      -0.00000036       
 22 4670489.0073897046968      -0.00000008       
S   1
  1      0.0254108441803        1.0000000        
S   1
  1      0.1478138859055        1.0000000        
S   1
  1      0.4499982319           1.0000000        
S   1
  1      2.2508513755           1.0000000        
P   14
  1      0.1665324969063       -0.00003826       
  2      0.3898123762486        0.00012743       
  3      0.8418804590783        0.00155932       
  4      1.7137398379361        0.03118418       
  5      3.3589264581687        0.16965296       
  6      6.4755806892356        0.32235891       
  7     12.5441444458114        0.31424060       
  8     24.9430155826533        0.20943205       
  9     52.0072555417719        0.10189743       
 10    116.1575552830732        0.03677056       
 11    283.8971415897409        0.01019832       
 12    775.6505211145972        0.00215675       
 13   2420.0489531403118        0.00033968       
 14   8808.3931189963077        0.00004516       
P   14
  1      0.1665324969063        0.06916953       
  2      0.3898123762486        0.35734702       
  3      0.8418804590783        0.46622777       
  4      1.7137398379361        0.24354336       
  5      3.3589264581687       -0.00907722       
  6      6.4755806892356       -0.12729362       
  7     12.5441444458114       -0.11455950       
  8     24.9430155826533       -0.07397203       
  9     52.0072555417719       -0.03464363       
 10    116.1575552830732       -0.01224615       
 11    283.8971415897409       -0.00334268       
 12    775.6505211145972       -0.00070550       
 13   2420.0489531403118       -0.00011042       
 14   8808.3931189963077       -0.00001474       
P   1
  1      0.1665324969063        1.0000000        
P   1
  1      0.3898123762486        1.0000000        
P   1
  1      0.0559602444           1.0000000        
P   1
  1      0.8189608854           1.0000000        
P   1
  1      3.7602627099           1.0000000        
D   1
  1      0.0822549022           1.0000000        
D   1
  1      0.2124268180           1.0000000        
D   1
  1      0.7946174299           1.0000000        
D   1
  1      2.1468368570           1.0000000        
F   1
  1      0.1474011780           1.0000000        
F   1
  1      1.3868465157           1.0000000        


name: Chipman DZP + Diffuse
description: DZPD Double Zeta + Polarization + Diffuse
elt: H
data:
HYDROGEN
S   3
  1    127.9500000              0.0107360        
  2     19.2406000              0.1195440        
  3      2.8992000              0.9264160        
S   1
  1      0.6534000              1.0000000        
S   1
  1      0.1776000              1.0000000        
S   1
  1      0.0483000              1.0000000        
P   1
  1      1.0000000              1.0000000        


name: Chipman DZP + Diffuse
description: DZPD Double Zeta + Polarization + Diffuse
elt: B
data:
BORON
S   5
  1   2788.4100000              0.0021220        
  2    419.0390000              0.0161710        
  3     96.4683000              0.0783560        
  4     28.0694000              0.2632500        
  5      9.3760000              0.5967290        
S   1
  1      1.3057000              1.0000000        
S   1
  1      3.4062000              1.0000000        
S   1
  1      0.3245000              1.0000000        
S   1
  1      0.1022000              1.0000000        
S   1
  1      0.0330000              1.0000000        
P   4
  1     11.3413000              0.0179870        
  2      2.4360000              0.1103390        
  3      0.6836000              0.3831110        
  4      0.2134000              0.6478600        
P   1
  1      0.0701000              1.0000000        
P   1
  1      0.0226000              1.0000000        
D   1
  1      0.1600000              1.0000000        
D   1
  1      0.6400000              1.0000000        


name: Chipman DZP + Diffuse
description: DZPD Double Zeta + Polarization + Diffuse
elt: C
data:
CARBON
S   5
  1   4232.6100000              0.0020290        
  2    634.8820000              0.0155350        
  3    146.0970000              0.0754110        
  4     42.4974000              0.2571210        
  5     14.1892000              0.5965550        
S   1
  1      1.9666000              1.0000000        
S   1
  1      5.1477000              1.0000000        
S   1
  1      0.4962000              1.0000000        
S   1
  1      0.1533000              1.0000000        
S   1
  1      0.0479000              1.0000000        
P   4
  1     18.1557000              0.0185340        
  2      3.9864000              0.1154420        
  3      1.1429000              0.3862060        
  4      0.3594000              0.6400890        
P   1
  1      0.1146000              1.0000000        
P   1
  1      0.0358000              1.0000000        
D   1
  1      0.2800000              1.0000000        
D   1
  1      1.1200000              1.0000000        


name: Chipman DZP + Diffuse
description: DZPD Double Zeta + Polarization + Diffuse
elt: N
data:
NITROGEN
S   5
  1   5909.4400000              0.0020040        
  2    887.4510000              0.0153100        
  3    204.7490000              0.0742930        
  4     59.8376000              0.2533640        
  5     19.9981000              0.6005760        
S   1
  1      2.6860000              1.0000000        
S   1
  1      7.1927000              1.0000000        
S   1
  1      0.7000000              1.0000000        
S   1
  1      0.2133000              1.0000000        
S   1
  1      0.0667000              1.0000000        
P   4
  1     26.7860000              0.0182570        
  2      5.9564000              0.1164070        
  3      1.7074000              0.3901110        
  4      0.5314000              0.6372210        
P   1
  1      0.1654000              1.0000000        
P   1
  1      0.0517000              1.0000000        
D   1
  1      0.3700000              1.0000000        
D   1
  1      1.4800000              1.0000000        


name: Chipman DZP + Diffuse
description: DZPD Double Zeta + Polarization + Diffuse
elt: O
data:
OXYGEN
S   5
  1   7816.5400000              0.0020310        
  2   1175.8200000              0.0154360        
  3    273.1880000              0.0737710        
  4     81.1696000              0.2476060        
  5     27.1836000              0.6118320        
S   1
  1      3.4136000              1.0000000        
S   1
  1      9.5322000              1.0000000        
S   1
  1      0.9398000              1.0000000        
S   1
  1      0.2846000              1.0000000        
S   1
  1      0.0862000              1.0000000        
P   4
  1     35.1832000              0.0195800        
  2      7.9040000              0.1241890        
  3      2.3051000              0.3947270        
  4      0.7171000              0.6273750        
P   1
  1      0.2137000              1.0000000        
P   1
  1      0.0648000              1.0000000        
D   1
  1      0.5500000              1.0000000        
D   1
  1      2.2000000              1.0000000        


name: Chipman DZP + Diffuse
description: DZPD Double Zeta + Polarization + Diffuse
elt: F
data:
FLUORINE
S   5
  1   9994.7900000              0.0020170        
  2   1506.0300000              0.0152950        
  3    350.2690000              0.0731100        
  4    104.0530000              0.2464200        
  5     34.8432000              0.6125930        
S   1
  1      4.3688000              1.0000000        
S   1
  1     12.2164000              1.0000000        
S   1
  1      1.2078000              1.0000000        
S   1
  1      0.3634000              1.0000000        
S   1
  1      0.1101000              1.0000000        
P   4
  1     44.3555000              0.0208680        
  2     10.0820000              0.1300920        
  3      2.9959000              0.3962190        
  4      0.9383000              0.6203680        
P   1
  1      0.2733000              1.0000000        
P   1
  1      0.0828000              1.0000000        
D   1
  1      0.6650000              1.0000000        
D   1
  1      2.6600000              1.0000000        


name: Core/valence Functions (cc-pCV6Z(old))
description: 5T Tight functions
elt: O
data:
OXYGEN
S   1
  1    348.4406000              1.0000000        
S   1
  1    175.3001000              1.0000000        
S   1
  1     88.1933400              1.0000000        
S   1
  1     44.3699900              1.0000000        
S   1
  1     22.3225000              1.0000000        
P   1
  1    363.9568000              1.0000000        
P   1
  1    163.0141000              1.0000000        
P   1
  1     73.0130900              1.0000000        
P   1
  1     32.7021400              1.0000000        
P   1
  1     14.6471000              1.0000000        
D   1
  1    253.9252000              1.0000000        
D   1
  1    109.6239000              1.0000000        
D   1
  1     47.3265600              1.0000000        
D   1
  1     20.4317000              1.0000000        
F   1
  1    138.2648000              1.0000000        
F   1
  1     49.0034900              1.0000000        
F   1
  1     17.3677000              1.0000000        
G   1
  1     82.3645100              1.0000000        
G   1
  1     23.6764000              1.0000000        
H   1
  1     62.7153200              1.0000000        


name: Core/valence Functions (cc-pCVDZ(old))
description: 1T Tight functions
elt: Al
data:
ALUMINUM
S   1
  1      4.0320000              1.0000000        
P   1
  1      1.5290000              1.0000000        
D   1
  1      4.7260000              1.0000000        


name: Core/valence Functions (cc-pCVDZ(old))
description: 1T Tight functions
elt: Si
data:
SILICON
S   1
  1      4.9600000              1.0000000        
P   1
  1      1.9980000              1.0000000        
D   1
  1      5.8070000              1.0000000        


name: Core/valence Functions (cc-pCVDZ(old))
description: 1T Tight functions
elt: P
data:
PHOSPHOROUS
S   1
  1      5.9800000              1.0000000        
P   1
  1      2.5240000              1.0000000        
D   1
  1      7.0200000              1.0000000        


name: Core/valence Functions (cc-pCVDZ(old))
description: 1T Tight functions
elt: S
data:
SULFUR
S   1
  1      7.0820000              1.0000000        
P   1
  1      3.0890000              1.0000000        
D   1
  1      8.3630000              1.0000000        


name: Core/valence Functions (cc-pCVDZ(old))
description: 1T Tight functions
elt: Cl
data:
CHLORINE
S   1
  1      8.2730000              1.0000000        
P   1
  1      3.6970000              1.0000000        
D   1
  1      9.8440000              1.0000000        


name: Core/valence Functions (cc-pCVDZ(old))
description: 1T Tight functions
elt: Ar
data:
ARGON
S   1
  1      9.5490000              1.0000000        
P   1
  1      4.3610000              1.0000000        
D   1
  1     11.4600000              1.0000000        


name: Core/valence Functions (cc-pCV6Z)
description: 5T Tight functions
elt: B
data:
BORON
S   1
  1    127.6200000              1.0000000        
S   1
  1     63.6510000              1.0000000        
S   1
  1     31.7460000              1.0000000        
S   1
  1     15.8330000              1.0000000        
S   1
  1      7.8970000              1.0000000        
P   1
  1    144.2110000              1.0000000        
P   1
  1     63.6980000              1.0000000        
P   1
  1     28.1350000              1.0000000        
P   1
  1     12.4270000              1.0000000        
P   1
  1      5.4890000              1.0000000        
D   1
  1    100.3980000              1.0000000        
D   1
  1     43.1630000              1.0000000        
D   1
  1     18.5570000              1.0000000        
D   1
  1      7.9780000              1.0000000        
F   1
  1     56.0930000              1.0000000        
F   1
  1     20.3090000              1.0000000        
F   1
  1      7.3530000              1.0000000        
G   1
  1     43.0160000              1.0000000        
G   1
  1     14.4690000              1.0000000        
H   1
  1     29.5550000              1.0000000        


name: Core/valence Functions (cc-pCV6Z)
description: 5T Tight functions
elt: C
data:
CARBON
S   1
  1    183.0760000              1.0000000        
S   1
  1     91.9980000              1.0000000        
S   1
  1     46.2300000              1.0000000        
S   1
  1     23.2310000              1.0000000        
S   1
  1     11.6740000              1.0000000        
P   1
  1    206.5670000              1.0000000        
P   1
  1     92.5890000              1.0000000        
P   1
  1     41.5010000              1.0000000        
P   1
  1     18.6020000              1.0000000        
P   1
  1      8.3380000              1.0000000        
D   1
  1    145.5240000              1.0000000        
D   1
  1     62.9160000              1.0000000        
D   1
  1     27.2010000              1.0000000        
D   1
  1     11.7600000              1.0000000        
F   1
  1     78.5650000              1.0000000        
F   1
  1     28.0590000              1.0000000        
F   1
  1     10.0210000              1.0000000        
G   1
  1     55.1450000              1.0000000        
G   1
  1     17.6070000              1.0000000        
H   1
  1     40.7100000              1.0000000        


name: Core/valence Functions (cc-pCV6Z)
description: 5T Tight functions
elt: N
data:
NITROGEN
S   1
  1    246.2620000              1.0000000        
S   1
  1    124.1870000              1.0000000        
S   1
  1     62.6260000              1.0000000        
S   1
  1     31.5810000              1.0000000        
S   1
  1     15.9260000              1.0000000        
P   1
  1    270.1420000              1.0000000        
P   1
  1    123.4650000              1.0000000        
P   1
  1     56.4280000              1.0000000        
P   1
  1     25.7900000              1.0000000        
P   1
  1     11.7870000              1.0000000        
D   1
  1    199.9200000              1.0000000        
D   1
  1     87.1110000              1.0000000        
D   1
  1     37.9570000              1.0000000        
D   1
  1     16.5390000              1.0000000        
F   1
  1    105.3460000              1.0000000        
F   1
  1     37.5300000              1.0000000        
F   1
  1     13.3700000              1.0000000        
G   1
  1     67.1880000              1.0000000        
G   1
  1     20.3600000              1.0000000        
H   1
  1     52.0500000              1.0000000        


name: Core/valence Functions (cc-pCV6Z)
description: 5T Tight functions
elt: O
data:
OXYGEN
S   1
  1    317.0960000              1.0000000        
S   1
  1    160.3930000              1.0000000        
S   1
  1     81.1290000              1.0000000        
S   1
  1     41.0370000              1.0000000        
S   1
  1     20.7570000              1.0000000        
P   1
  1    358.9110000              1.0000000        
P   1
  1    161.8180000              1.0000000        
P   1
  1     72.9570000              1.0000000        
P   1
  1     32.8930000              1.0000000        
P   1
  1     14.8300000              1.0000000        
D   1
  1    250.8300000              1.0000000        
D   1
  1    108.1630000              1.0000000        
D   1
  1     46.6420000              1.0000000        
D   1
  1     20.1130000              1.0000000        
F   1
  1    136.1110000              1.0000000        
F   1
  1     48.8550000              1.0000000        
F   1
  1     17.5360000              1.0000000        
G   1
  1     81.6280000              1.0000000        
G   1
  1     24.0650000              1.0000000        
H   1
  1     62.8500000              1.0000000        


name: Core/valence Functions (cc-pCV6Z)
description: 5T Tight functions
elt: F
data:
FLUORINE
S   1
  1    397.5440000              1.0000000        
S   1
  1    201.5940000              1.0000000        
S   1
  1    102.2280000              1.0000000        
S   1
  1     51.8400000              1.0000000        
S   1
  1     26.2880000              1.0000000        
P   1
  1    446.5700000              1.0000000        
P   1
  1    201.3390000              1.0000000        
P   1
  1     90.7750000              1.0000000        
P   1
  1     40.9270000              1.0000000        
P   1
  1     18.4520000              1.0000000        
D   1
  1    313.7310000              1.0000000        
D   1
  1    135.4040000              1.0000000        
D   1
  1     58.4390000              1.0000000        
D   1
  1     25.2220000              1.0000000        
F   1
  1    177.2200000              1.0000000        
F   1
  1     64.3500000              1.0000000        
F   1
  1     23.3660000              1.0000000        
G   1
  1     99.3840000              1.0000000        
G   1
  1     29.5170000              1.0000000        
H   1
  1     67.8200000              1.0000000        


name: Core/valence Functions (cc-pCV6Z)
description: 5T Tight functions
elt: Ne
data:
NEON
S   1
  1    526.1367000              1.0000000        
S   1
  1    264.9976000              1.0000000        
S   1
  1    133.4704000              1.0000000        
S   1
  1     67.2246200              1.0000000        
S   1
  1     33.8588000              1.0000000        
P   1
  1    558.8741000              1.0000000        
P   1
  1    250.2470000              1.0000000        
P   1
  1    112.0531000              1.0000000        
P   1
  1     50.1739900              1.0000000        
P   1
  1     22.4664000              1.0000000        
D   1
  1    392.7164000              1.0000000        
D   1
  1    169.5564000              1.0000000        
D   1
  1     73.2064700              1.0000000        
D   1
  1     31.6071000              1.0000000        
F   1
  1    224.9657000              1.0000000        
F   1
  1     82.4518500              1.0000000        
F   1
  1     30.2193000              1.0000000        
G   1
  1    119.8449000              1.0000000        
G   1
  1     33.5255000              1.0000000        
H   1
  1     50.9084700              1.0000000        


name: Core/valence Functions (cc-pCV6Z)
description: 5T Tight functions
elt: Al
data:
ALUMINUM
S   1
  1     40.2800000              1.0000000        
S   1
  1     20.2500000              1.0000000        
S   1
  1     10.2300000              1.0000000        
S   1
  1      4.8020000              1.0000000        
S   1
  1      2.3390000              1.0000000        
P   1
  1     35.8100000              1.0000000        
P   1
  1     16.2200000              1.0000000        
P   1
  1      7.7020000              1.0000000        
P   1
  1      3.7410000              1.0000000        
P   1
  1      1.8310000              1.0000000        
D   1
  1     45.6727000              1.0000000        
D   1
  1     25.6388000              1.0000000        
D   1
  1     14.3925000              1.0000000        
D   1
  1      8.0794000              1.0000000        
D   1
  1      4.5354000              1.0000000        
F   1
  1     25.3530000              1.0000000        
F   1
  1     12.3332000              1.0000000        
F   1
  1      5.9996000              1.0000000        
F   1
  1      2.9185000              1.0000000        
G   1
  1     17.2911000              1.0000000        
G   1
  1      7.8399000              1.0000000        
G   1
  1      3.5547000              1.0000000        
H   1
  1     14.1238000              1.0000000        
H   1
  1      5.8461000              1.0000000        
I   1
  1     10.0337000              1.0000000        


name: Core/valence Functions (cc-pCV6Z)
description: 5T Tight functions
elt: Si
data:
SILICON
S   1
  1     49.2400000              1.0000000        
S   1
  1     24.7400000              1.0000000        
S   1
  1     12.4700000              1.0000000        
S   1
  1      5.7950000              1.0000000        
S   1
  1      2.8300000              1.0000000        
P   1
  1     44.3500000              1.0000000        
P   1
  1     20.0800000              1.0000000        
P   1
  1      9.5300000              1.0000000        
P   1
  1      4.6340000              1.0000000        
P   1
  1      2.2800000              1.0000000        
D   1
  1     59.7837000              1.0000000        
D   1
  1     34.3949000              1.0000000        
D   1
  1     19.7882000              1.0000000        
D   1
  1     11.3846000              1.0000000        
D   1
  1      6.5498000              1.0000000        
F   1
  1     32.0854000              1.0000000        
F   1
  1     15.9556000              1.0000000        
F   1
  1      7.9345000              1.0000000        
F   1
  1      3.9457000              1.0000000        
G   1
  1     20.8258000              1.0000000        
G   1
  1      9.4348000              1.0000000        
G   1
  1      4.2743000              1.0000000        
H   1
  1     17.4400000              1.0000000        
H   1
  1      7.3087000              1.0000000        
I   1
  1     12.3782000              1.0000000        


name: Core/valence Functions (cc-pCV6Z)
description: 5T Tight functions
elt: P
data:
PHOSPHOROUS
S   1
  1     59.8800000              1.0000000        
S   1
  1     30.0500000              1.0000000        
S   1
  1     15.1200000              1.0000000        
S   1
  1      7.0100000              1.0000000        
S   1
  1      3.4410000              1.0000000        
P   1
  1     56.5200000              1.0000000        
P   1
  1     25.5800000              1.0000000        
P   1
  1     12.1400000              1.0000000        
P   1
  1      5.9020000              1.0000000        
P   1
  1      2.9100000              1.0000000        
D   1
  1     73.4257000              1.0000000        
D   1
  1     42.7149000              1.0000000        
D   1
  1     24.8491000              1.0000000        
D   1
  1     14.4558000              1.0000000        
D   1
  1      8.4096000              1.0000000        
F   1
  1     38.8989000              1.0000000        
F   1
  1     19.6568000              1.0000000        
F   1
  1      9.9332000              1.0000000        
F   1
  1      5.0196000              1.0000000        
G   1
  1     24.7656000              1.0000000        
G   1
  1     11.2155000              1.0000000        
G   1
  1      5.0791000              1.0000000        
H   1
  1     20.9939000              1.0000000        
H   1
  1      8.8512000              1.0000000        
I   1
  1     15.0320000              1.0000000        


name: Core/valence Functions (cc-pCV6Z)
description: 5T Tight functions
elt: S
data:
SULFUR
S   1
  1     71.2100000              1.0000000        
S   1
  1     35.7300000              1.0000000        
S   1
  1     17.9700000              1.0000000        
S   1
  1      8.3410000              1.0000000        
S   1
  1      4.1120000              1.0000000        
P   1
  1     65.3800000              1.0000000        
P   1
  1     29.5900000              1.0000000        
P   1
  1     14.0400000              1.0000000        
P   1
  1      6.8240000              1.0000000        
P   1
  1      3.3690000              1.0000000        
D   1
  1     85.0420000              1.0000000        
D   1
  1     49.7384000              1.0000000        
D   1
  1     29.0905000              1.0000000        
D   1
  1     17.0141000              1.0000000        
D   1
  1      9.9510000              1.0000000        
F   1
  1     45.8659000              1.0000000        
F   1
  1     23.2578000              1.0000000        
F   1
  1     11.7936000              1.0000000        
F   1
  1      5.9803000              1.0000000        
G   1
  1     29.0245000              1.0000000        
G   1
  1     13.1169000              1.0000000        
G   1
  1      5.9279000              1.0000000        
H   1
  1     24.7413000              1.0000000        
H   1
  1     10.4793000              1.0000000        
I   1
  1     17.9499000              1.0000000        


name: Core/valence Functions (cc-pCV6Z)
description: 5T Tight functions
elt: Cl
data:
CHLORINE
S   1
  1     85.6100000              1.0000000        
S   1
  1     42.9300000              1.0000000        
S   1
  1     21.5500000              1.0000000        
S   1
  1     10.0500000              1.0000000        
S   1
  1      4.9780000              1.0000000        
P   1
  1     75.6100000              1.0000000        
P   1
  1     34.2200000              1.0000000        
P   1
  1     16.2300000              1.0000000        
P   1
  1      7.8900000              1.0000000        
P   1
  1      3.8980000              1.0000000        
D   1
  1    101.5340000              1.0000000        
D   1
  1     59.4799000              1.0000000        
D   1
  1     34.8440000              1.0000000        
D   1
  1     20.4120000              1.0000000        
D   1
  1     11.9576000              1.0000000        
F   1
  1     52.5155000              1.0000000        
F   1
  1     26.5151000              1.0000000        
F   1
  1     13.3874000              1.0000000        
F   1
  1      6.7593000              1.0000000        
G   1
  1     32.9291000              1.0000000        
G   1
  1     14.6315000              1.0000000        
G   1
  1      6.5013000              1.0000000        
H   1
  1     29.1168000              1.0000000        
H   1
  1     12.3898000              1.0000000        
I   1
  1     21.0502000              1.0000000        


name: Core/valence Functions (cc-pCV6Z)
description: 5T Tight functions
elt: Ar
data:
ARGON
S   1
  1     99.8400000              1.0000000        
S   1
  1     50.0700000              1.0000000        
S   1
  1     25.1400000              1.0000000        
S   1
  1     11.8100000              1.0000000        
S   1
  1      5.8820000              1.0000000        
P   1
  1     87.5200000              1.0000000        
P   1
  1     39.6100000              1.0000000        
P   1
  1     18.7800000              1.0000000        
P   1
  1      9.1300000              1.0000000        
P   1
  1      4.5160000              1.0000000        
D   1
  1    110.4290000              1.0000000        
D   1
  1     62.1231000              1.0000000        
D   1
  1     34.9483000              1.0000000        
D   1
  1     19.6606000              1.0000000        
D   1
  1     11.0604000              1.0000000        
F   1
  1     61.3518000              1.0000000        
F   1
  1     31.1445000              1.0000000        
F   1
  1     15.8101000              1.0000000        
F   1
  1      8.0258000              1.0000000        
G   1
  1     37.7753000              1.0000000        
G   1
  1     16.6961000              1.0000000        
G   1
  1      7.3794000              1.0000000        
H   1
  1     33.4560000              1.0000000        
H   1
  1     14.2454000              1.0000000        
I   1
  1     24.5369000              1.0000000        


name: Core/valence Functions (cc-pCVDZ)
description: 1T Tight functions
elt: Li
data:
LITHIUM
S   1
  1      0.9060000              1.0000000        
P   1
  1      3.2420000              1.0000000        


name: Core/valence Functions (cc-pCVDZ)
description: 1T Tight functions
elt: Be
data:
BERYLLIUM
S   1
  1      1.8600000              1.0000000        
P   1
  1      6.1630000              1.0000000        


name: Core/valence Functions (cc-pCVDZ)
description: 1T Tight functions
elt: B
data:
BORON
S   1
  1      3.0660000              1.0000000        
P   1
  1      9.9400000              1.0000000        


name: Core/valence Functions (cc-pCVDZ)
description: 1T Tight functions
elt: C
data:
CARBON
S   1
  1      4.5300000              1.0000000        
P   1
  1     14.5570000              1.0000000        


name: Core/valence Functions (cc-pCVDZ)
description: 1T Tight functions
elt: N
data:
NITROGEN
S   1
  1      6.2330000              1.0000000        
P   1
  1     19.9770000              1.0000000        


name: Core/valence Functions (cc-pCVDZ)
description: 1T Tight functions
elt: O
data:
OXYGEN
S   1
  1      8.2150000              1.0000000        
P   1
  1     26.0560000              1.0000000        


name: Core/valence Functions (cc-pCVDZ)
description: 1T Tight functions
elt: F
data:
FLUORINE
S   1
  1     10.4260000              1.0000000        
P   1
  1     32.8300000              1.0000000        


name: Core/valence Functions (cc-pCVDZ)
description: 1T Tight functions
elt: Ne
data:
NEON
S   1
  1     12.8540000              1.0000000        
P   1
  1     40.1840000              1.0000000        


name: Core/valence Functions (cc-pCVDZ)
description: 1T Tight functions
elt: Na
data:
SODIUM
S   1
  1      0.7040000              1.0000000        
P   1
  1      0.7610000              1.0000000        
D   1
  1      2.9490000              1.0000000        


name: Core/valence Functions (cc-pCVDZ)
description: 1T Tight functions
elt: Mg
data:
MAGNESIUM
S   1
  1      3.4220000              1.0000000        
P   1
  1      8.2790000              1.0000000        
D   1
  1      3.7040000              1.0000000        


name: Core/valence Functions (cc-pCVDZ)
description: 1T Tight functions
elt: Al
data:
ALUMINUM
S   1
  1      4.0300000              1.0000000        
P   1
  1      1.5290000              1.0000000        
D   1
  1      4.7250000              1.0000000        


name: Core/valence Functions (cc-pCVDZ)
description: 1T Tight functions
elt: Si
data:
SILICON
S   1
  1      4.9590000              1.0000000        
P   1
  1      1.9980000              1.0000000        
D   1
  1      5.8060000              1.0000000        


name: Core/valence Functions (cc-pCVDZ)
description: 1T Tight functions
elt: P
data:
PHOSPHOROUS
S   1
  1      5.9770000              1.0000000        
P   1
  1      2.5240000              1.0000000        
D   1
  1      7.0200000              1.0000000        


name: Core/valence Functions (cc-pCVDZ)
description: 1T Tight functions
elt: S
data:
SULFUR
S   1
  1      7.0830000              1.0000000        
P   1
  1      3.0890000              1.0000000        
D   1
  1      8.3630000              1.0000000        


name: Core/valence Functions (cc-pCVDZ)
description: 1T Tight functions
elt: Ar
data:
ARGON
S   1
  1      9.5480000              1.0000000        
P   1
  1      4.3610000              1.0000000        
D   1
  1     11.4590000              1.0000000        


name: Core/valence Functions (cc-pCVDZ)
description: 1T Tight functions
elt: Ca
data:
CALCIUM
S   1
  1      1.1143000              1.0000000        
P   1
  1      1.5101000              1.0000000        
D   1
  1      1.3743000              1.0000000        


name: Cologne DKH2
elt: La
description:
Lanthanide (23s,16p,12d,6f)/[18s,12p,9d,3f] segmented contracted basis sets  optimized for DKH2 calculations (preferably at the HF and/or DFT level)

data:
LANTHANUM
S   6
  1 12210086.5187960            0.0008480        
  2 4875357.9330050            -0.0000510        
  3 1946678.6691740             0.0017490        
  4 777288.1279880              0.0017650        
  5 310362.8983450              0.0048330        
  6 123924.6107080              0.0086190        
S   1
  1  49481.7815570              1.0000000        
S   1
  1  19757.5501110              1.0000000        
S   1
  1   7888.9800270              1.0000000        
S   1
  1   3149.9859810              1.0000000        
S   1
  1   1257.7559640              1.0000000        
S   1
  1    502.2086050              1.0000000        
S   1
  1    200.5265650              1.0000000        
S   1
  1     80.0681290              1.0000000        
S   1
  1     31.9703540              1.0000000        
S   1
  1     12.7654230              1.0000000        
S   1
  1      5.0970980              1.0000000        
S   1
  1      2.0352170              1.0000000        
S   1
  1      0.8126410              1.0000000        
S   1
  1      0.3244790              1.0000000        
S   1
  1      0.1295610              1.0000000        
S   1
  1      0.0517320              1.0000000        
S   1
  1      0.0216340              1.0000000        
P   5
  1  23098.1944340              0.0018370        
  2   9528.5457470              0.0018100        
  3   3930.7481070              0.0098840        
  4   1621.5255810              0.0294420        
  5    668.9172490              0.1009480        
P   1
  1    275.9440190              1.0000000        
P   1
  1    113.8333660              1.0000000        
P   1
  1     46.9589270              1.0000000        
P   1
  1     19.3716560              1.0000000        
P   1
  1      7.9912620              1.0000000        
P   1
  1      3.2965820              1.0000000        
P   1
  1      1.3599170              1.0000000        
P   1
  1      0.5609980              1.0000000        
P   1
  1      0.2314250              1.0000000        
P   1
  1      0.0954680              1.0000000        
P   1
  1      0.0307070              1.0000000        
D   4
  1   1025.9333290              0.0028180        
  2    442.3164410              0.0099170        
  3    190.6983900              0.0497520        
  4     82.2168760              0.1739610        
D   1
  1     35.4466270              1.0000000        
D   1
  1     15.2823050              1.0000000        
D   1
  1      6.5887470              1.0000000        
D   1
  1      2.8406440              1.0000000        
D   1
  1      1.2247030              1.0000000        
D   1
  1      0.5280130              1.0000000        
D   1
  1      0.2276450              1.0000000        
D   1
  1      0.0798280              1.0000000        
F   4
  1     31.7867590              0.0411070        
  2     10.4547470              0.1832820        
  3      3.4385930              0.4127100        
  4      1.1309620              0.4494440        
F   1
  1      0.3719760              1.0000000        
F   1
  1      0.1174890              1.0000000        


name: Cologne DKH2
elt: Ce
description:
Lanthanide (23s,16p,12d,6f)/[18s,12p,9d,3f] segmented contracted basis sets  optimized for DKH2 calculations (preferably at the HF and/or DFT level)

data:
CERIUM
S   6
  1 12989481.7062490            0.0008640        
  2 5180245.0885890            -0.0000500        
  3 2065897.6073650             0.0017800        
  4 823886.2932410              0.0017950        
  5 328568.3771400              0.0049040        
  6 131034.0751420              0.0087180        
S   1
  1  52256.7904970              1.0000000        
S   1
  1  20840.1681020              1.0000000        
S   1
  1   8311.1228680              1.0000000        
S   1
  1   3314.5012550              1.0000000        
S   1
  1   1321.8332520              1.0000000        
S   1
  1    527.1511490              1.0000000        
S   1
  1    210.2294930              1.0000000        
S   1
  1     83.8401660              1.0000000        
S   1
  1     33.4357150              1.0000000        
S   1
  1     13.3342650              1.0000000        
S   1
  1      5.3177460              1.0000000        
S   1
  1      2.1207330              1.0000000        
S   1
  1      0.8457550              1.0000000        
S   1
  1      0.3372900              1.0000000        
S   1
  1      0.1345120              1.0000000        
S   1
  1      0.0536440              1.0000000        
S   1
  1      0.0222890              1.0000000        
P   5
  1  24338.3884330              0.0018650        
  2  10044.8785420              0.0017940        
  3   4145.6970410              0.0098510        
  4   1711.0016700              0.0289990        
  5    706.1603120              0.0993020        
P   1
  1    291.4447100              1.0000000        
P   1
  1    120.2843290              1.0000000        
P   1
  1     49.6434460              1.0000000        
P   1
  1     20.4887180              1.0000000        
P   1
  1      8.4560520              1.0000000        
P   1
  1      3.4899610              1.0000000        
P   1
  1      1.4403680              1.0000000        
P   1
  1      0.5944650              1.0000000        
P   1
  1      0.2453460              1.0000000        
P   1
  1      0.1012590              1.0000000        
P   1
  1      0.0324460              1.0000000        
D   4
  1   1077.9749480              0.0028030        
  2    465.5820660              0.0097530        
  3    201.0869180              0.0489600        
  4     86.8503140              0.1716020        
D   1
  1     37.5110280              1.0000000        
D   1
  1     16.2011760              1.0000000        
D   1
  1      6.9973580              1.0000000        
D   1
  1      3.0221900              1.0000000        
D   1
  1      1.3052970              1.0000000        
D   1
  1      0.5637630              1.0000000        
D   1
  1      0.2434920              1.0000000        
D   1
  1      0.0861080              1.0000000        
F   4
  1     37.2536620              0.0365010        
  2     12.5849450              0.1671360        
  3      4.2514170              0.4023140        
  4      1.4362040              0.4575650        
F   1
  1      0.4851750              1.0000000        
F   1
  1      0.1582140              1.0000000        


name: Cologne DKH2
elt: Pr
description:
Lanthanide (23s,16p,12d,6f)/[18s,12p,9d,3f] segmented contracted basis sets  optimized for DKH2 calculations (preferably at the HF and/or DFT level)

data:
PRASEODYMIUM
S   6
  1 13830867.2637570            0.0008790        
  2 5508826.5299270            -0.0000480        
  3 2194162.4598160             0.0018100        
  4 873933.6542750              0.0018240        
  5 348087.2752410              0.0049720        
  6 138642.9628750              0.0088110        
S   1
  1  55221.4129100              1.0000000        
S   1
  1  21994.6572150              1.0000000        
S   1
  1   8760.4594040              1.0000000        
S   1
  1   3489.2859760              1.0000000        
S   1
  1   1389.7806110              1.0000000        
S   1
  1    553.5488230              1.0000000        
S   1
  1    220.4781800              1.0000000        
S   1
  1     87.8163330              1.0000000        
S   1
  1     34.9771950              1.0000000        
S   1
  1     13.9313970              1.0000000        
S   1
  1      5.5488670              1.0000000        
S   1
  1      2.2101110              1.0000000        
S   1
  1      0.8802860              1.0000000        
S   1
  1      0.3506170              1.0000000        
S   1
  1      0.1396510              1.0000000        
S   1
  1      0.0556230              1.0000000        
S   1
  1      0.0229410              1.0000000        
P   5
  1  25550.5795440              0.0018990        
  2  10540.9655720              0.0017970        
  3   4348.7058680              0.0098850        
  4   1794.0711970              0.0288400        
  5    740.1492670              0.0985910        
P   1
  1    305.3507230              1.0000000        
P   1
  1    125.9733250              1.0000000        
P   1
  1     51.9706600              1.0000000        
P   1
  1     21.4406460              1.0000000        
P   1
  1      8.8454010              1.0000000        
P   1
  1      3.6491960              1.0000000        
P   1
  1      1.5054860              1.0000000        
P   1
  1      0.6210930              1.0000000        
P   1
  1      0.2562340              1.0000000        
P   1
  1      0.1057100              1.0000000        
P   1
  1      0.0332860              1.0000000        
D   4
  1   1126.1136180              0.0028160        
  2    486.6325280              0.0097250        
  3    210.2906970              0.0488580        
  4     90.8738620              0.1714060        
D   1
  1     39.2697300              1.0000000        
D   1
  1     16.9698040              1.0000000        
D   1
  1      7.3332380              1.0000000        
D   1
  1      3.1689450              1.0000000        
D   1
  1      1.3694100              1.0000000        
D   1
  1      0.5917690              1.0000000        
D   1
  1      0.2557240              1.0000000        
D   1
  1      0.0894420              1.0000000        
F   4
  1     41.0064530              0.0353560        
  2     14.0053780              0.1636940        
  3      4.7834090              0.4024290        
  4      1.6337290              0.4604230        
F   1
  1      0.5579850              1.0000000        
F   1
  1      0.1841470              1.0000000        


name: Cologne DKH2
elt: Nd
data:
NEODYMIUM
S   6
  1 14737614.8461170            0.0008940        
  2 5862209.9652180            -0.0000470        
  3 2331822.7566080             0.0018380        
  4 927533.7117730              0.0018530        
  5 368946.9038920              0.0050380        
  6 146756.7336520              0.0089000        
S   1
  1  58375.7138080              1.0000000        
S   1
  1  23220.2221860              1.0000000        
S   1
  1   9236.3533250              1.0000000        
S   1
  1   3673.9623790              1.0000000        
S   1
  1   1461.3992220              1.0000000        
S   1
  1    581.3036350              1.0000000        
S   1
  1    231.2262870              1.0000000        
S   1
  1     91.9753340              1.0000000        
S   1
  1     36.5852090              1.0000000        
S   1
  1     14.5525700              1.0000000        
S   1
  1      5.7886040              1.0000000        
S   1
  1      2.3025450              1.0000000        
S   1
  1      0.9158880              1.0000000        
S   1
  1      0.3643140              1.0000000        
S   1
  1      0.1449140              1.0000000        
S   1
  1      0.0576430              1.0000000        
S   1
  1      0.0236020              1.0000000        
P   5
  1  26783.4485950              0.0019350        
  2  11041.4238500              0.0018050        
  3   4551.8052020              0.0099420        
  4   1876.4727160              0.0287800        
  5    773.5721760              0.0982070        
P   1
  1    318.9036030              1.0000000        
P   1
  1    131.4673810              1.0000000        
P   1
  1     54.1971690              1.0000000        
P   1
  1     22.3426760              1.0000000        
P   1
  1      9.2107240              1.0000000        
P   1
  1      3.7971030              1.0000000        
P   1
  1      1.5653480              1.0000000        
P   1
  1      0.6453120              1.0000000        
P   1
  1      0.2660280              1.0000000        
P   1
  1      0.1096700              1.0000000        
P   1
  1      0.0338020              1.0000000        
D   4
  1   1176.7816080              0.0028230        
  2    508.9029030              0.0096700        
  3    220.0766590              0.0486120        
  4     95.1728430              0.1707460        
D   1
  1     41.1577950              1.0000000        
D   1
  1     17.7988180              1.0000000        
D   1
  1      7.6971550              1.0000000        
D   1
  1      3.3286590              1.0000000        
D   1
  1      1.4394890              1.0000000        
D   1
  1      0.6225120              1.0000000        
D   1
  1      0.2692070              1.0000000        
D   1
  1      0.0938830              1.0000000        
F   4
  1     44.0363050              0.0352600        
  2     15.1181510              0.1642840        
  3      5.1902290              0.4052270        
  4      1.7818630              0.4601370        
F   1
  1      0.6117330              1.0000000        
F   1
  1      0.2029900              1.0000000        


name: Cologne DKH2
elt: Pm
data:
PROMETHIUM
S   6
  1 15723330.5739100            0.0009080        
  2 6245534.2713080            -0.0000450        
  3 2480816.5261630             0.0018650        
  4 985416.1980600              0.0018800        
  5 391421.5634880              0.0051000        
  6 155478.3051720              0.0089840        
S   1
  1  61758.2311100              1.0000000        
S   1
  1  24531.2624520              1.0000000        
S   1
  1   9744.1721810              1.0000000        
S   1
  1   3870.5260960              1.0000000        
S   1
  1   1537.4289350              1.0000000        
S   1
  1    610.6890050              1.0000000        
S   1
  1    242.5745040              1.0000000        
S   1
  1     96.3541010              1.0000000        
S   1
  1     38.2732420              1.0000000        
S   1
  1     15.2026850              1.0000000        
S   1
  1      6.0387260              1.0000000        
S   1
  1      2.3986690              1.0000000        
S   1
  1      0.9527860              1.0000000        
S   1
  1      0.3784600              1.0000000        
S   1
  1      0.1503300              1.0000000        
S   1
  1      0.0597130              1.0000000        
S   1
  1      0.0242790              1.0000000        
P   5
  1  28127.3156940              0.0019670        
  2  11590.4985380              0.0018050        
  3   4776.1278690              0.0099620        
  4   1968.1118410              0.0285770        
  5    811.0051330              0.0973560        
P   1
  1    334.1930640              1.0000000        
P   1
  1    137.7118340              1.0000000        
P   1
  1     56.7472850              1.0000000        
P   1
  1     23.3840060              1.0000000        
P   1
  1      9.6359100              1.0000000        
P   1
  1      3.9706950              1.0000000        
P   1
  1      1.6362150              1.0000000        
P   1
  1      0.6742400              1.0000000        
P   1
  1      0.2778360              1.0000000        
P   1
  1      0.1144890              1.0000000        
P   1
  1      0.0347950              1.0000000        
D   4
  1   1228.0804110              0.0028330        
  2    531.4084250              0.0096310        
  3    229.9482280              0.0484400        
  4     99.5019740              0.1702950        
D   1
  1     43.0559650              1.0000000        
D   1
  1     18.6309480              1.0000000        
D   1
  1      8.0618850              1.0000000        
D   1
  1      3.4884960              1.0000000        
D   1
  1      1.5095230              1.0000000        
D   1
  1      0.6531930              1.0000000        
D   1
  1      0.2826460              1.0000000        
D   1
  1      0.0976490              1.0000000        
F   4
  1     46.8560740              0.0354300        
  2     16.1363880              0.1658950        
  3      5.5570820              0.4083270        
  4      1.9137590              0.4587470        
F   1
  1      0.6590640              1.0000000        
F   1
  1      0.2194180              1.0000000        


name: Cologne DKH2
elt: Sm
data:
SAMARIUM
S   6
  1 16794768.5817400            0.0009220        
  2 6661167.3692430            -0.0000430        
  3 2641962.6150320             0.0018910        
  4 1047859.3424110             0.0019070        
  5 415603.6104490              0.0051580        
  6 164837.3536670              0.0090620        
S   1
  1  65378.0488930              1.0000000        
S   1
  1  25930.3439540              1.0000000        
S   1
  1  10284.5335540              1.0000000        
S   1
  1   4079.0677760              1.0000000        
S   1
  1   1617.8462380              1.0000000        
S   1
  1    641.6727040              1.0000000        
S   1
  1    254.5012310              1.0000000        
S   1
  1    100.9406760              1.0000000        
S   1
  1     40.0352490              1.0000000        
S   1
  1     15.8788430              1.0000000        
S   1
  1      6.2978920              1.0000000        
S   1
  1      2.4978800              1.0000000        
S   1
  1      0.9907130              1.0000000        
S   1
  1      0.3929380              1.0000000        
S   1
  1      0.1558480              1.0000000        
S   1
  1      0.0618130              1.0000000        
S   1
  1      0.0250230              1.0000000        
P   5
  1  29528.4025080              0.0019990        
  2  12162.9432350              0.0018040        
  3   5009.9963280              0.0099830        
  4   2063.6504440              0.0283710        
  5    850.0311930              0.0964860        
P   1
  1    350.1334400              1.0000000        
P   1
  1    144.2222670              1.0000000        
P   1
  1     59.4061010              1.0000000        
P   1
  1     24.4697640              1.0000000        
P   1
  1     10.0792570              1.0000000        
P   1
  1      4.1517120              1.0000000        
P   1
  1      1.7101180              1.0000000        
P   1
  1      0.7044090              1.0000000        
P   1
  1      0.2901510              1.0000000        
P   1
  1      0.1195150              1.0000000        
P   1
  1      0.0408250              1.0000000        
D   4
  1   1278.9478260              0.0028520        
  2    553.5881040              0.0096270        
  3    239.6186790              0.0484400        
  4    103.7181090              0.1703780        
D   1
  1     44.8940220              1.0000000        
D   1
  1     19.4322210              1.0000000        
D   1
  1      8.4111690              1.0000000        
D   1
  1      3.6407450              1.0000000        
D   1
  1      1.5758840              1.0000000        
D   1
  1      0.6821160              1.0000000        
D   1
  1      0.2952510              1.0000000        
D   1
  1      0.1014350              1.0000000        
F   4
  1     49.6559540              0.0356550        
  2     17.1461440              0.1676320        
  3      5.9205440              0.4114350        
  4      2.0443570              0.4575950        
F   1
  1      0.7059140              1.0000000        
F   1
  1      0.2361570              1.0000000        


name: Cologne DKH2
elt: Eu
data:
EUROPIUM
S   6
  1 17920908.7872370            0.0009360        
  2 7097582.2794160            -0.0000400        
  3 2810999.9783580             0.0019180        
  4 1113297.5381270             0.0019340        
  5 440921.8847180              0.0052190        
  6 174627.2687810              0.0091440        
S   1
  1  69161.1917180              1.0000000        
S   1
  1  27391.3145030              1.0000000        
S   1
  1  10848.3398210              1.0000000        
S   1
  1   4296.4888330              1.0000000        
S   1
  1   1701.6259260              1.0000000        
S   1
  1    673.9295510              1.0000000        
S   1
  1    266.9100380              1.0000000        
S   1
  1    105.7098150              1.0000000        
S   1
  1     41.8664100              1.0000000        
S   1
  1     16.5812060              1.0000000        
S   1
  1      6.5669930              1.0000000        
S   1
  1      2.6008600              1.0000000        
S   1
  1      1.0300710              1.0000000        
S   1
  1      0.4079600              1.0000000        
S   1
  1      0.1615730              1.0000000        
S   1
  1      0.0639910              1.0000000        
S   1
  1      0.0257370              1.0000000        
P   5
  1  30988.4610680              0.0020310        
  2  12755.1586250              0.0018070        
  3   5250.1500870              0.0100120        
  4   2161.0139660              0.0282160        
  5    889.4948310              0.0957960        
P   1
  1    366.1249150              1.0000000        
P   1
  1    150.7006540              1.0000000        
P   1
  1     62.0298870              1.0000000        
P   1
  1     25.5321180              1.0000000        
P   1
  1     10.5092740              1.0000000        
P   1
  1      4.3257220              1.0000000        
P   1
  1      1.7805100              1.0000000        
P   1
  1      0.7328760              1.0000000        
P   1
  1      0.3016590              1.0000000        
P   1
  1      0.1241660              1.0000000        
P   1
  1      0.0458250              1.0000000        
D   4
  1   1327.1053760              0.0028870        
  2    574.3672350              0.0096920        
  3    248.5844210              0.0487700        
  4    107.5865930              0.1714570        
D   1
  1     46.5631560              1.0000000        
D   1
  1     20.1523940              1.0000000        
D   1
  1      8.7218960              1.0000000        
D   1
  1      3.7748100              1.0000000        
D   1
  1      1.6337270              1.0000000        
D   1
  1      0.7070720              1.0000000        
D   1
  1      0.3060190              1.0000000        
D   1
  1      0.1034120              1.0000000        
F   4
  1     52.5243080              0.0358280        
  2     18.1766890              0.1692440        
  3      6.2902690              0.4142910        
  4      2.1768260              0.4574960        
F   1
  1      0.7533180              1.0000000        
F   1
  1      0.2669540              1.0000000        


name: Cologne DKH2
elt: Gd
data:
GADOLINIUM
S   6
  1 19134212.3139960            0.0009490        
  2 7567226.1283100            -0.0000380        
  3 2992697.6003650             0.0019440        
  4 1183556.4016950             0.0019610        
  5 468074.6079460              0.0052780        
  6 185114.8270500              0.0092210        
S   1
  1  73209.4811640              1.0000000        
S   1
  1  28952.9921390              1.0000000        
S   1
  1  11450.3714610              1.0000000        
S   1
  1   4528.4095670              1.0000000        
S   1
  1   1790.9020050              1.0000000        
S   1
  1    708.2685310              1.0000000        
S   1
  1    280.1070690              1.0000000        
S   1
  1    110.7771510              1.0000000        
S   1
  1     43.8103090              1.0000000        
S   1
  1     17.3261650              1.0000000        
S   1
  1      6.8521770              1.0000000        
S   1
  1      2.7099090              1.0000000        
S   1
  1      1.0717190              1.0000000        
S   1
  1      0.4238450              1.0000000        
S   1
  1      0.1676230              1.0000000        
S   1
  1      0.0662920              1.0000000        
S   1
  1      0.0263930              1.0000000        
P   5
  1  32490.6343220              0.0020640        
  2  13360.7281400              0.0018140        
  3   5494.1696320              0.0100550        
  4   2259.3005130              0.0281220        
  5    929.0646540              0.0953040        
P   1
  1    382.0479510              1.0000000        
P   1
  1    157.1049290              1.0000000        
P   1
  1     64.6043480              1.0000000        
P   1
  1     26.5664600              1.0000000        
P   1
  1     10.9246020              1.0000000        
P   1
  1      4.4923910              1.0000000        
P   1
  1      1.8473510              1.0000000        
P   1
  1      0.7596640              1.0000000        
P   1
  1      0.3123870              1.0000000        
P   1
  1      0.1284590              1.0000000        
P   1
  1      0.0371990              1.0000000        
D   4
  1   1234.8934710              0.0035900        
  2    534.2123720              0.0119710        
  3    231.0991720              0.0590180        
  4     99.9730260              0.1985160        
D   1
  1     43.2481250              1.0000000        
D   1
  1     18.7090500              1.0000000        
D   1
  1      8.0934960              1.0000000        
D   1
  1      3.5012300              1.0000000        
D   1
  1      1.5146250              1.0000000        
D   1
  1      0.6552240              1.0000000        
D   1
  1      0.2834480              1.0000000        
D   1
  1      0.0957360              1.0000000        
F   4
  1     55.1647320              0.0361760        
  2     19.1065000              0.1713310        
  3      6.6176040              0.4156900        
  4      2.2920310              0.4527240        
F   1
  1      0.7938530              1.0000000        
F   1
  1      0.2657210              1.0000000        


name: Cologne DKH2
elt: Tb
data:
TERBIUM
S   6
  1 20443382.2110210            0.0009630        
  2 8072015.7905390            -0.0000350        
  3 3187214.2412710             0.0019690        
  4 1258463.1749190             0.0019880        
  5 496900.8804370              0.0053360        
  6 196200.0079940              0.0093000        
S   1
  1  77469.0580200              1.0000000        
S   1
  1  30588.4541590              1.0000000        
S   1
  1  12077.7708130              1.0000000        
S   1
  1   4768.8760940              1.0000000        
S   1
  1   1882.9782050              1.0000000        
S   1
  1    743.4890000              1.0000000        
S   1
  1    293.5646800              1.0000000        
S   1
  1    115.9132430              1.0000000        
S   1
  1     45.7680400              1.0000000        
S   1
  1     18.0713900              1.0000000        
S   1
  1      7.1354410              1.0000000        
S   1
  1      2.8174100              1.0000000        
S   1
  1      1.1124470              1.0000000        
S   1
  1      0.4392470              1.0000000        
S   1
  1      0.1734350              1.0000000        
S   1
  1      0.0684810              1.0000000        
S   1
  1      0.0270920              1.0000000        
P   5
  1  34151.7952030              0.0020930        
  2  14042.2894940              0.0018040        
  3   5773.8075870              0.0100420        
  4   2374.0326720              0.0277850        
  5    976.1376770              0.0939950        
P   1
  1    401.3612690              1.0000000        
P   1
  1    165.0288390              1.0000000        
P   1
  1     67.8553710              1.0000000        
P   1
  1     27.9002830              1.0000000        
P   1
  1     11.4718380              1.0000000        
P   1
  1      4.7169080              1.0000000        
P   1
  1      1.9394640              1.0000000        
P   1
  1      0.7974550              1.0000000        
P   1
  1      0.3278920              1.0000000        
P   1
  1      0.1348200              1.0000000        
P   1
  1      0.0389510              1.0000000        
D   4
  1   1431.4721980              0.0029370        
  2    619.5947070              0.0097420        
  3    268.1837630              0.0490330        
  4    116.0799630              0.1724070        
D   1
  1     50.2437500              1.0000000        
D   1
  1     21.7473740              1.0000000        
D   1
  1      9.4130770              1.0000000        
D   1
  1      4.0743320              1.0000000        
D   1
  1      1.7635230              1.0000000        
D   1
  1      0.7633190              1.0000000        
D   1
  1      0.3303930              1.0000000        
D   1
  1      0.1090490              1.0000000        
F   4
  1     57.4203480              0.0370860        
  2     19.8657610              0.1757890        
  3      6.8729730              0.4202040        
  4      2.3778480              0.4491080        
F   1
  1      0.8226660              1.0000000        
F   1
  1      0.2751540              1.0000000        


name: Cologne DKH2
elt: Dy
data:
DYSPROSIUM
S   6
  1 21841438.1922420            0.0009760        
  2 8610654.2403350            -0.0000320        
  3 3394619.2459490             0.0019940        
  4 1338276.9187260             0.0020150        
  5 527595.2857840              0.0053940        
  6 207996.4032010              0.0093770        
S   1
  1  81999.4130160              1.0000000        
S   1
  1  32327.0192730              1.0000000        
S   1
  1  12744.4348280              1.0000000        
S   1
  1   5024.2992620              1.0000000        
S   1
  1   1980.7534360              1.0000000        
S   1
  1    780.8818640              1.0000000        
S   1
  1    307.8507780              1.0000000        
S   1
  1    121.3654790              1.0000000        
S   1
  1     47.8464910              1.0000000        
S   1
  1     18.8627500              1.0000000        
S   1
  1      7.4363520              1.0000000        
S   1
  1      2.9316680              1.0000000        
S   1
  1      1.1557660              1.0000000        
S   1
  1      0.4556430              1.0000000        
S   1
  1      0.1796300              1.0000000        
S   1
  1      0.0708170              1.0000000        
S   1
  1      0.0278140              1.0000000        
P   5
  1  35772.9954310              0.0021270        
  2  14694.4030130              0.0018130        
  3   6035.9910400              0.0100910        
  4   2479.3921750              0.0277090        
  5   1018.4550500              0.0935520        
P   1
  1    418.3487790              1.0000000        
P   1
  1    171.8443050              1.0000000        
P   1
  1     70.5881480              1.0000000        
P   1
  1     28.9953550              1.0000000        
P   1
  1     11.9103650              1.0000000        
P   1
  1      4.8923970              1.0000000        
P   1
  1      2.0096400              1.0000000        
P   1
  1      0.8254960              1.0000000        
P   1
  1      0.3390870              1.0000000        
P   1
  1      0.1392860              1.0000000        
P   1
  1      0.0395080              1.0000000        
D   4
  1   1487.0265820              0.0029570        
  2    643.7378760              0.0097430        
  3    278.6758880              0.0490390        
  4    120.6395540              0.1724900        
D   1
  1     52.2251930              1.0000000        
D   1
  1     22.6084290              1.0000000        
D   1
  1      9.7872510              1.0000000        
D   1
  1      4.2369280              1.0000000        
D   1
  1      1.8341780              1.0000000        
D   1
  1      0.7940200              1.0000000        
D   1
  1      0.3437340              1.0000000        
D   1
  1      0.1124520              1.0000000        
F   4
  1     59.9032870              0.0377380        
  2     20.7195140              0.1791130        
  3      7.1665230              0.4235130        
  4      2.4787770              0.4462420        
F   1
  1      0.8573660              1.0000000        
F   1
  1      0.2866140              1.0000000        


name: Cologne DKH2
elt: Ho
data:
HOLMIUM
S   6
  1 23354455.5413030            0.0009130        
  2 9192131.0506180            -0.0000270        
  3 3617950.8917390             0.0018640        
  4 1423997.1757320             0.0018850        
  5 560474.1515760              0.0050300        
  6 220598.2427060              0.0087160        
S   1
  1  86825.7430750              1.0000000        
S   1
  1  34173.9334280              1.0000000        
S   1
  1  13450.5929300              1.0000000        
S   1
  1   5294.0481830              1.0000000        
S   1
  1   2083.6959610              1.0000000        
S   1
  1    820.1264340              1.0000000        
S   1
  1    322.7953500              1.0000000        
S   1
  1    127.0497250              1.0000000        
S   1
  1     50.0057780              1.0000000        
S   1
  1     19.6818830              1.0000000        
S   1
  1      7.7466350              1.0000000        
S   1
  1      3.0490150              1.0000000        
S   1
  1      1.2000680              1.0000000        
S   1
  1      0.4723380              1.0000000        
S   1
  1      0.1859080              1.0000000        
S   1
  1      0.0731720              1.0000000        
S   1
  1      0.0285750              1.0000000        
P   5
  1  37421.8081910              0.0018540        
  2  15351.7085520              0.0015670        
  3   6297.7971100              0.0086890        
  4   2583.5722650              0.0237020        
  5   1059.8699090              0.0794130        
P   1
  1    434.7949690              1.0000000        
P   1
  1    178.3678010              1.0000000        
P   1
  1     73.1725870              1.0000000        
P   1
  1     30.0179030              1.0000000        
P   1
  1     12.3143730              1.0000000        
P   1
  1      5.0517780              1.0000000        
P   1
  1      2.0724120              1.0000000        
P   1
  1      0.8501750              1.0000000        
P   1
  1      0.3487710              1.0000000        
P   1
  1      0.1430780              1.0000000        
P   1
  1      0.0396300              1.0000000        
D   4
  1   1527.7531490              0.0030550        
  2    660.6606920              0.0100420        
  3    285.6957290              0.0505070        
  4    123.5460970              0.1771590        
D   1
  1     53.4262030              1.0000000        
D   1
  1     23.1035960              1.0000000        
D   1
  1      9.9909060              1.0000000        
D   1
  1      4.3204620              1.0000000        
D   1
  1      1.8683380              1.0000000        
D   1
  1      0.8079430              1.0000000        
D   1
  1      0.3493860              1.0000000        
D   1
  1      0.1103590              1.0000000        
F   4
  1     62.4866890              0.0389390        
  2     21.6142530              0.1850380        
  3      7.4764070              0.4334330        
  4      2.5861020              0.4473550        
F   1
  1      0.8945370              1.0000000        
F   1
  1      0.2987010              1.0000000        


name: Cologne DKH2
elt: Er
data:
ERBIUM
S   6
  1 24972619.2146850            0.0009200        
  2 9812481.8096900            -0.0000240        
  3 3855614.7610210             0.0018770        
  4 1514985.2477410             0.0019000        
  5 595282.5795970              0.0050560        
  6 233904.1585390              0.0087410        
S   1
  1  91907.8724240              1.0000000        
S   1
  1  36113.3255020              1.0000000        
S   1
  1  14189.9953110              1.0000000        
S   1
  1   5575.6694830              1.0000000        
S   1
  1   2190.8456980              1.0000000        
S   1
  1    860.8481700              1.0000000        
S   1
  1    338.2527460              1.0000000        
S   1
  1    132.9095230              1.0000000        
S   1
  1     52.2240890              1.0000000        
S   1
  1     20.5203910              1.0000000        
S   1
  1      8.0630700              1.0000000        
S   1
  1      3.1682190              1.0000000        
S   1
  1      1.2448870              1.0000000        
S   1
  1      0.4891530              1.0000000        
S   1
  1      0.1922030              1.0000000        
S   1
  1      0.0755220              1.0000000        
S   1
  1      0.0293300              1.0000000        
P   5
  1  39920.6142770              0.0018570        
  2  16373.9214700              0.0015320        
  3   6715.9613940              0.0085500        
  4   2754.6325740              0.0230070        
  5   1129.8457770              0.0771170        
P   1
  1    463.4198740              1.0000000        
P   1
  1    190.0772510              1.0000000        
P   1
  1     77.9624770              1.0000000        
P   1
  1     31.9772500              1.0000000        
P   1
  1     13.1158550              1.0000000        
P   1
  1      5.3796260              1.0000000        
P   1
  1      2.2065190              1.0000000        
P   1
  1      0.9050300              1.0000000        
P   1
  1      0.3712090              1.0000000        
P   1
  1      0.1522560              1.0000000        
P   1
  1      0.0407710              1.0000000        
D   4
  1   1668.1543810              0.0027960        
  2    720.4539020              0.0091770        
  3    311.1545490              0.0466080        
  4    134.3835510              0.1668760        
D   1
  1     58.0384850              1.0000000        
D   1
  1     25.0660570              1.0000000        
D   1
  1     10.8257000              1.0000000        
D   1
  1      4.6754770              1.0000000        
D   1
  1      2.0192770              1.0000000        
D   1
  1      0.8720990              1.0000000        
D   1
  1      0.3766480              1.0000000        
D   1
  1      0.1146500              1.0000000        
F   4
  1     65.0362460              0.0397390        
  2     22.4905360              0.1889560        
  3      7.7775740              0.4381600        
  4      2.6896050              0.4456880        
F   1
  1      0.9301070              1.0000000        
F   1
  1      0.3100820              1.0000000        


name: Cologne DKH2
elt: Tm
data:
THULIUM
S   6
  1 26729126.8848670            0.0009380        
  2 10484825.0813070           -0.0000210        
  3 4112800.1471620             0.0019120        
  4 1613295.8746880             0.0019380        
  5 632834.9266090              0.0051420        
  6 248237.1960530              0.0088690        
S   1
  1  97374.0590370              1.0000000        
S   1
  1  38196.1588510              1.0000000        
S   1
  1  14982.9078240              1.0000000        
S   1
  1   5877.2278060              1.0000000        
S   1
  1   2305.4140810              1.0000000        
S   1
  1    904.3267100              1.0000000        
S   1
  1    354.7331500              1.0000000        
S   1
  1    139.1483920              1.0000000        
S   1
  1     54.5826490              1.0000000        
S   1
  1     21.4107080              1.0000000        
S   1
  1      8.3986110              1.0000000        
S   1
  1      3.2944570              1.0000000        
S   1
  1      1.2922910              1.0000000        
S   1
  1      0.5069170              1.0000000        
S   1
  1      0.1988440              1.0000000        
S   1
  1      0.0779990              1.0000000        
S   1
  1      0.0300740              1.0000000        
P   5
  1  41160.7889010              0.0019140        
  2  16860.6929160              0.0015740        
  3   6906.6452120              0.0087510        
  4   2829.1689040              0.0234560        
  5   1158.9123860              0.0782870        
P   1
  1    474.7252510              1.0000000        
P   1
  1    194.4616930              1.0000000        
P   1
  1     79.6573380              1.0000000        
P   1
  1     32.6300330              1.0000000        
P   1
  1     13.3662400              1.0000000        
P   1
  1      5.4752120              1.0000000        
P   1
  1      2.2428110              1.0000000        
P   1
  1      0.9187230              1.0000000        
P   1
  1      0.3763360              1.0000000        
P   1
  1      0.1541590              1.0000000        
P   1
  1      0.0414800              1.0000000        
D   4
  1   1639.9203970              0.0031100        
  2    709.1788520              0.0101050        
  3    306.6823520              0.0507890        
  4    132.6239000              0.1781100        
D   1
  1     57.3528230              1.0000000        
D   1
  1     24.8020630              1.0000000        
D   1
  1     10.7255810              1.0000000        
D   1
  1      4.6382470              1.0000000        
D   1
  1      2.0057960              1.0000000        
D   1
  1      0.8674010              1.0000000        
D   1
  1      0.3751050              1.0000000        
D   1
  1      0.1159470              1.0000000        
F   4
  1     67.6622550              0.0402440        
  2     23.3969470              0.1914290        
  3      8.0904360              0.4399180        
  4      2.7975940              0.4429220        
F   1
  1      0.9673810              1.0000000        
F   1
  1      0.3221370              1.0000000        


name: Cologne DKH2
elt: Yb
data:
YTTERBIUM
S   6
  1 28608027.0846480            0.0009430        
  2 11202134.2287840           -0.0000170        
  3 4386454.5747380             0.0019200        
  4 1717617.6738540             0.0019490        
  5 672572.8998830              0.0051550        
  6 263361.4642780              0.0088720        
S   1
  1 103125.2684710              1.0000000        
S   1
  1  40381.0824280              1.0000000        
S   1
  1  15812.1461620              1.0000000        
S   1
  1   6191.6112990              1.0000000        
S   1
  1   2424.4685120              1.0000000        
S   1
  1    949.3566830              1.0000000        
S   1
  1    371.7425520              1.0000000        
S   1
  1    145.5643880              1.0000000        
S   1
  1     56.9991010              1.0000000        
S   1
  1     22.3193150              1.0000000        
S   1
  1      8.7396440              1.0000000        
S   1
  1      3.4222100              1.0000000        
S   1
  1      1.3400450              1.0000000        
S   1
  1      0.5247260              1.0000000        
S   1
  1      0.2054680              1.0000000        
S   1
  1      0.0804560              1.0000000        
S   1
  1      0.0308280              1.0000000        
P   5
  1  43102.3484420              0.0019420        
  2  17637.0831500              0.0015800        
  3   7216.9316360              0.0087840        
  4   2953.1018130              0.0233660        
  5   1208.3820050              0.0778160        
P   1
  1    494.4587630              1.0000000        
P   1
  1    202.3279620              1.0000000        
P   1
  1     82.7907350              1.0000000        
P   1
  1     33.8772040              1.0000000        
P   1
  1     13.8622390              1.0000000        
P   1
  1      5.6723000              1.0000000        
P   1
  1      2.3210530              1.0000000        
P   1
  1      0.9497530              1.0000000        
P   1
  1      0.3886300              1.0000000        
P   1
  1      0.1590240              1.0000000        
P   1
  1      0.0421600              1.0000000        
D   4
  1   1695.3438970              0.0031470        
  2    733.0185200              0.0101690        
  3    316.9363760              0.0510810        
  4    137.0342820              0.1790290        
D   1
  1     59.2497290              1.0000000        
D   1
  1     25.6178990              1.0000000        
D   1
  1     11.0764520              1.0000000        
D   1
  1      4.7891430              1.0000000        
D   1
  1      2.0706890              1.0000000        
D   1
  1      0.8953070              1.0000000        
D   1
  1      0.3871050              1.0000000        
D   1
  1      0.1182540              1.0000000        
F   4
  1     70.3793600              0.0406830        
  2     24.3390120              0.1936020        
  3      8.4170630              0.4414900        
  4      2.9108390              0.4405590        
F   1
  1      1.0066440              1.0000000        
F   1
  1      0.3349160              1.0000000        


name: Cologne DKH2
elt: Lu
data:
LUTETIUM
S   6
  1 30342371.9052100            0.0010470        
  2 11876986.4699290           -0.0000200        
  3 4649036.9324970             0.0021270        
  4 1819783.5330070             0.0021480        
  5 712322.1766330              0.0056810        
  6 278825.9560110              0.0097410        
S   1
  1 109141.5040770              1.0000000        
S   1
  1  42721.5173320              1.0000000        
S   1
  1  16722.5846720              1.0000000        
S   1
  1   6545.7609080              1.0000000        
S   1
  1   2562.2226890              1.0000000        
S   1
  1   1002.9368930              1.0000000        
S   1
  1    392.5819630              1.0000000        
S   1
  1    153.6692870              1.0000000        
S   1
  1     60.1511330              1.0000000        
S   1
  1     23.5451000              1.0000000        
S   1
  1      9.2163140              1.0000000        
S   1
  1      3.6075640              1.0000000        
S   1
  1      1.4121170              1.0000000        
S   1
  1      0.5527480              1.0000000        
S   1
  1      0.2163640              1.0000000        
S   1
  1      0.0846920              1.0000000        
S   1
  1      0.0332430              1.0000000        
P   5
  1  44320.9931100              0.0023260        
  2  17987.2013420              0.0019790        
  3   7299.9134140              0.0106980        
  4   2962.5918360              0.0289610        
  5   1202.3362320              0.0967320        
P   1
  1    487.9553090              1.0000000        
P   1
  1    198.0314470              1.0000000        
P   1
  1     80.3689460              1.0000000        
P   1
  1     32.6168780              1.0000000        
P   1
  1     13.2372110              1.0000000        
P   1
  1      5.3721810              1.0000000        
P   1
  1      2.1802420              1.0000000        
P   1
  1      0.8848280              1.0000000        
P   1
  1      0.3590980              1.0000000        
P   1
  1      0.1457360              1.0000000        
P   1
  1      0.0400240              1.0000000        
D   4
  1   1550.7135810              0.0039640        
  2    664.6593390              0.0131800        
  3    284.8830650              0.0648600        
  4    122.1051990              0.2179220        
D   1
  1     52.3361380              1.0000000        
D   1
  1     22.4320620              1.0000000        
D   1
  1      9.6147220              1.0000000        
D   1
  1      4.1210150              1.0000000        
D   1
  1      1.7663300              1.0000000        
D   1
  1      0.7570760              1.0000000        
D   1
  1      0.3244940              1.0000000        
D   1
  1      0.0971310              1.0000000        
F   4
  1     74.9165490              0.0395260        
  2     26.0578400              0.1896670        
  3      9.0635650              0.4393120        
  4      3.1525330              0.4437500        
F   1
  1      1.0965300              1.0000000        
F   1
  1      0.3716690              1.0000000        


name: CRENBS ECP
description: 1D UNCONTR Uncontracted
elt: Sc
data:
SCANDIUM
S   4
  1      1.1290000              0.0354300        
  2      0.4512000             -0.3024760        
  3      0.0776000              0.6118060        
  4      0.0302700              0.5430820        
D   5
  1     12.2300000              0.0531110        
  2      3.1510000              0.2336770        
  3      0.9874000              0.4257610        
  4      0.3482000              0.3981110        
  5      0.1256000              0.2394890        


name: CRENBS ECP
description: 1D UNCONTR Uncontracted
elt: Ti
data:
TITANIUM
S   4
  1      1.2860000              0.0381350        
  2      0.5273000             -0.2956580        
  3      0.0854500              0.6035860        
  4      0.0329000              0.5441400        
D   5
  1     13.8600000              0.0593760        
  2      3.6000000              0.2570290        
  3      1.1380000              0.4425490        
  4      0.4139000              0.3771320        
  5      0.1517000              0.2071190        


name: CRENBS ECP
description: 1D UNCONTR Uncontracted
elt: V
data:
VANADIUM
S   4
  1      1.3510000              0.0431110        
  2      0.6008000             -0.2849460        
  3      0.0927500              0.5997440        
  4      0.0348200              0.5416930        
D   5
  1     16.4900000              0.0592100        
  2      4.2940000              0.2603080        
  3      1.3570000              0.4520980        
  4      0.4861000              0.3743630        
  5      0.1807000              0.1945810        


name: CRENBS ECP
description: 1D UNCONTR Uncontracted
elt: Cr
data:
CHROMIUM
S   4
  1      1.6290000              0.0061940        
  2      0.5124000             -0.2733360        
  3      0.1060000              0.6050830        
  4      0.0377800              0.5659320        
D   5
  1     18.6400000              0.0619910        
  2      4.9400000              0.2685740        
  3      1.5860000              0.4534990        
  4      0.5810000              0.3626590        
  5      0.2161000              0.1903790        


name: CRENBS ECP
description: 1D UNCONTR Uncontracted
elt: Mn
data:
MANGANESE
S   4
  1      1.8050000              0.0279520        
  2      0.7001000             -0.2659690        
  3      0.1120000              0.5651140        
  4      0.0411700              0.5751150        
D   5
  1     21.5400000              0.0605270        
  2      5.6700000              0.2677310        
  3      1.8300000              0.4413160        
  4      0.6874000              0.3672010        
  5      0.2414000              0.2049740        


name: CRENBS ECP
description: 1D UNCONTR Uncontracted
elt: Fe
data:
IRON
S   4
  1      1.9210000              0.0164600        
  2      0.7000000             -0.2600570        
  3      0.1139000              0.6487290        
  4      0.0404200              0.4994440        
D   5
  1     24.0800000              0.0613960        
  2      6.3760000              0.2713330        
  3      2.0370000              0.4491940        
  4      0.7593000              0.3434950        
  5      0.2913000              0.2159600        


name: CRENBS ECP
description: 1D UNCONTR Uncontracted
elt: Co
data:
COBALT
S   4
  1      2.0170000              0.0118840        
  2      0.7330000             -0.2470350        
  3      0.1202000              0.6672230        
  4      0.0417100              0.4804050        
D   5
  1     26.6400000              0.0629730        
  2      7.0710000              0.2761960        
  3      2.2510000              0.4545150        
  4      0.8039000              0.3613180        
  5      0.2857000              0.1949320        


name: CRENBS ECP
description: 1D UNCONTR Uncontracted
elt: Ni
data:
NICKEL
S   4
  1      2.3620000              0.0103760        
  2      0.8079000             -0.2383840        
  3      0.1275000              0.6652290        
  4      0.0439800              0.4774610        
D   5
  1     28.7300000              0.0652090        
  2      7.7260000              0.2805650        
  3      2.4960000              0.4435020        
  4      0.9166000              0.3596270        
  5      0.3105000              0.2053130        


name: CRENBS ECP
description: 1D UNCONTR Uncontracted
elt: Cu
data:
COPPER
S   4
  1      2.4490000              0.0102800        
  2      0.8596000             -0.2002890        
  3      0.1192000              0.5129440        
  4      0.0417700              0.6023190        
D   5
  1     31.8400000              0.0627620        
  2      8.4980000              0.2730120        
  3      2.6840000              0.4432000        
  4      0.9108000              0.3713710        
  5      0.2890000              0.2315260        


name: CRENBS ECP
description: 1D UNCONTR Uncontracted
elt: Zn
data:
ZINC
S   4
  1      2.7970000              0.0141080        
  2      0.9982000             -0.2294910        
  3      0.1454000              0.6559880        
  4      0.0462200              0.4843480        
D   5
  1     34.4600000              0.0666220        
  2      9.3250000              0.2862570        
  3      2.9760000              0.4579520        
  4      1.0440000              0.3547360        
  5      0.3666000              0.1902340        


name: CRENBS ECP
description: 1D UNCONTR Uncontracted
elt: Y
data:
YTTRIUM
S   3
  1      0.2124000             -0.7819840        
  2      0.1253000              0.8444100        
  3      0.0336200              0.8023800        
P   3
  1      0.2896000             -0.0899200        
  2      0.0629000              0.8316760        
  3      0.0223000              0.2628750        
D   4
  1      1.2330000              0.1427370        
  2      0.5461000              0.3540430        
  3      0.2102000              0.4742270        
  4      0.0705000              0.2793230        


name: CRENBS ECP
description: 1D UNCONTR Uncontracted
elt: Zr
data:
ZIRCONIUM
S   3
  1      0.2561000             -0.5300810        
  2      0.1124000              0.6929200        
  3      0.0344900              0.7138210        
P   3
  1      0.2972000             -0.0963180        
  2      0.0724000              0.7547040        
  3      0.0243000              0.3636480        
D   4
  1      1.6000000              0.0999250        
  2      0.7756000              0.3536660        
  3      0.2949000              0.5099200        
  4      0.0959900              0.2665830        


name: CRENBS ECP
description: 1D UNCONTR Uncontracted
elt: Nb
data:
NIOBIUM
S   3
  1      0.2672000             -0.8741150        
  2      0.1711000              0.9165460        
  3      0.0438300              0.8263870        
P   3
  1      0.4106000             -0.0643720        
  2      0.0752000              0.8041560        
  3      0.0247000              0.2864530        
D   4
  1      1.6130000              0.1075660        
  2      0.9265000              0.2812860        
  3      0.3610000              0.5012260        
  4      0.1121000              0.3518540        


name: CRENBS ECP
description: 1D UNCONTR Uncontracted
elt: Mo
data:
MOLYBDENUM
S   3
  1      0.2847000             -0.9757050        
  2      0.1889000              1.0596370        
  3      0.0458200              0.7946600        
P   3
  1      0.4995000             -0.0627160        
  2      0.0780000              0.7982520        
  3      0.0247000              0.2930000        
D   4
  1      2.1490000              0.0642120        
  2      1.0960000              0.3635290        
  3      0.3823000              0.5358750        
  4      0.1124000              0.2795270        


name: CRENBS ECP
description: 1D UNCONTR Uncontracted
elt: Tc
data:
TECHNETIUM
S   3
  1      0.3152000             -0.7338100        
  2      0.1843000              0.8134940        
  3      0.0450900              0.8007190        
P   3
  1      0.4767000             -0.0659680        
  2      0.0895000              0.7173060        
  3      0.0246000              0.4110920        
D   4
  1      2.6960000              0.0464630        
  2      1.3300000              0.3993600        
  3      0.4690000              0.5626650        
  4      0.1360000              0.2057920        


name: CRENBS ECP
description: 1D UNCONTR Uncontracted
elt: Ru
data:
RUTHENIUM
S   3
  1      0.3962000             -0.4332570        
  2      0.1494000              0.6071380        
  3      0.0436800              0.7137610        
P   3
  1      0.5725000             -0.0528770        
  2      0.0830000              0.8262160        
  3      0.0250000              0.2603090        
D   4
  1      2.6570000              0.0548100        
  2      1.4350000              0.3795280        
  3      0.4975000              0.5418090        
  4      0.1405000              0.2637650        


name: CRENBS ECP
description: 1D UNCONTR Uncontracted
elt: Rh
data:
RHODIUM
S   3
  1      0.4291000             -0.4025650        
  2      0.1571000              0.5377930        
  3      0.0458900              0.7521570        
P   3
  1      0.6595000             -0.0432900        
  2      0.0869000              0.8217740        
  3      0.0257000              0.2630530        
D   4
  1      2.9000000              0.0895940        
  2      1.4350000              0.3939990        
  3      0.5340000              0.4980950        
  4      0.1638000              0.2527390        


name: CRENBS ECP
description: 1D UNCONTR Uncontracted
elt: Pd
data:
PALLADIUM
S   3
  1      0.4542000             -0.3704980        
  2      0.1720000              0.4372990        
  3      0.0484000              0.8238030        
P   3
  1      0.7368000             -0.0299640        
  2      0.0899000              0.3514930        
  3      0.0262000              0.7428430        
D   4
  1      2.3252000              0.2781320        
  2      1.0020000              0.4375760        
  3      0.4032000              0.3656230        
  4      0.1452000              0.1500720        


name: CRENBS ECP
description: 1D UNCONTR Uncontracted
elt: Ag
data:
SILVER
S   3
  1      0.4981000             -0.3233220        
  2      0.1586000              0.4256450        
  3      0.0471000              0.7926140        
P   3
  1      0.7589000             -0.0285340        
  2      0.0908000              0.3904450        
  3      0.0283000              0.7007080        
D   4
  1      2.4127000              0.3088530        
  2      1.0153000              0.4504340        
  3      0.4093000              0.3383100        
  4      0.1503000              0.1294400        


name: CRENBS ECP
description: 1D UNCONTR Uncontracted
elt: Cd
data:
CADMIUM
S   3
  1      0.4922000             -0.4807800        
  2      0.2273000              0.5723710        
  3      0.0597000              0.8007460        
P   3
  1      0.8270000             -0.0451170        
  2      0.1129000              0.5881650        
  3      0.0405000              0.4978860        
D   4
  1      2.4823000              0.3617190        
  2      1.0199000              0.4682590        
  3      0.4190000              0.2913730        
  4      0.1639000              0.0830130        


name: CRENBS ECP
description: 1D UNCONTR Uncontracted
elt: La
data:
LANTHANUM
S   3
  1      0.2124000             -0.3963000        
  2      0.1253000              0.1775000        
  3      0.0336000              1.0713000        
P   3
  1      0.2236000             -0.1487000        
  2      0.0627000              0.6086000        
  3      0.0241000              0.5256000        
D   4
  1      0.4464000              0.3975000        
  2      0.1770000              0.4767000        
  3      0.0736000              0.2639000        
  4      0.0316000              0.0500000        


name: CRENBS ECP
description: 1D UNCONTR Uncontracted
elt: Hf
data:
HAFNIUM
S   3
  1      0.2420000             -1.7254000        
  2      0.1922000              1.7780000        
  3      0.0436000              0.8178000        
P   3
  1      0.4389000             -0.1134000        
  2      0.1045000              0.5943000        
  3      0.0370100              0.5280000        
D   4
  1      0.8977000              0.3186000        
  2      0.3516000              0.4465000        
  3      0.1413000              0.3454000        
  4      0.0550000              0.1228000        


name: CRENBS ECP
description: 1D UNCONTR Uncontracted
elt: Ta
data:
TANTALUM
S   3
  1      0.2672000             -1.0655000        
  2      0.1711000              1.2398000        
  3      0.0426000              0.6983000        
P   3
  1      0.4877000             -0.1058000        
  2      0.1197000              0.5804000        
  3      0.0433000              0.5376000        
D   4
  1      0.9321000              0.3692000        
  2      0.3623000              0.4653000        
  3      0.1467000              0.2986000        
  4      0.0590000              0.0821000        


name: CRENBS ECP
description: 1D UNCONTR Uncontracted
elt: W
data:
TUNGSTEN
S   3
  1      0.2847000             -1.1881000        
  2      0.1889000              1.3559000        
  3      0.0458000              0.6992000        
P   3
  1      0.5579000             -0.1048000        
  2      0.1268000              0.6111000        
  3      0.0441000              0.5089000        
D   4
  1      1.0081000              0.3921000        
  2      0.3977000              0.4681000        
  3      0.1626000              0.2756000        
  4      0.0663000              0.0675600        


name: CRENBS ECP
description: 1D UNCONTR Uncontracted
elt: Re
data:
RHENIUM
S   3
  1      0.3520000             -0.5127000        
  2      0.1210000              0.9356000        
  3      0.0407000              0.4396000        
P   3
  1      0.5717000             -0.1005000        
  2      0.1339000              0.6090000        
  3      0.0460000              0.5125000        
D   4
  1      1.0631000              0.4200000        
  2      0.4131000              0.4798000        
  3      0.1660000              0.2399000        
  4      0.0671000              0.0439000        


name: CRENBS ECP
description: 1D UNCONTR Uncontracted
elt: Os
data:
OSMIUM
S   3
  1      0.3962000             -0.5282000        
  2      0.1494000              0.8793000        
  3      0.0436000              0.5274000        
P   3
  1      0.5755000             -0.0954000        
  2      0.1252000              0.6991000        
  3      0.0407000              0.4228000        
D   4
  1      1.1271000              0.4486000        
  2      0.4362000              0.4726000        
  3      0.1727000              0.2329000        
  4      0.0651000              0.0376000        


name: CRENBS ECP
description: 1D UNCONTR Uncontracted
elt: Ir
data:
IRIDIUM
S   3
  1      0.4629000             -0.4599000        
  2      0.1557000              0.8047000        
  3      0.0459000              0.5378000        
P   3
  1      0.6320000             -0.8973000        
  2      0.1433000              0.5790000        
  3      0.0464000              0.5449000        
D   4
  1      1.2116000              0.4594000        
  2      0.4720000              0.4666000        
  3      0.1886000              0.2233000        
  4      0.0762000              0.0393000        


name: CRENBS ECP
description: 1D UNCONTR Uncontracted
elt: Pt
data:
PLATINUM
S   3
  1      0.4024000             -0.9969000        
  2      0.2704000              1.0610000        
  3      0.0612000              0.8117000        
P   3
  1      0.6751000             -0.0427000        
  2      0.0966000              0.4799000        
  3      0.0288000              0.6301000        
D   4
  1      1.2792000              0.4614000        
  2      0.4890000              0.4507000        
  3      0.1905000              0.2346000        
  4      0.0747000              0.0500000        


name: CRENBS ECP
description: 1D UNCONTR Uncontracted
elt: Au
data:
GOLD
S   3
  1      0.4409000             -0.7478000        
  2      0.2626000              0.8176000        
  3      0.0617000              0.8113000        
P   3
  1      0.6642000             -0.0459000        
  2      0.1073000              0.3778000        
  3      0.0319000              0.7233000        
D   4
  1      1.3517000              0.4787000        
  2      0.5149000              0.4582000        
  3      0.1994000              0.2203000        
  4      0.0776000              0.0412000        


name: CRENBS ECP
description: 1D UNCONTR Uncontracted
elt: Hg
data:
MERCURY
S   3
  1      0.5371000             -0.5204000        
  2      0.2247000              0.7018000        
  3      0.0649000              0.6951000        
P   3
  1      0.7213000             -0.0713000        
  2      0.1305000              0.4189000        
  3      0.0512000              0.6805000        
D   4
  1      1.4418000             -0.5030000        
  2      0.5560000              0.4605000        
  3      0.2167000              0.1908000        
  4      0.0835000              0.0238000        


name: CRENBS ECP
description: 1D UNCONTR Uncontracted
elt: Tl
data:
THALLIUM
S   3
  1      0.5736000             -0.6055000        
  2      0.2523000              0.8365000        
  3      0.0779000              0.6334000        
P   3
  1      0.7694000             -0.0681000        
  2      0.1494000              0.5337000        
  3      0.0455000              0.5863000        


name: CRENBS ECP
description: 1D UNCONTR Uncontracted
elt: Pb
data:
LEAD
S   3
  1      0.5920000             -0.7695000        
  2      0.3028000              0.9992000        
  3      0.0922000              0.6278000        
P   3
  1      0.7564000             -0.0950000        
  2      0.1876000              0.5751000        
  3      0.0610000              0.5534000        


name: CRENBS ECP
description: 1D UNCONTR Uncontracted
elt: Bi
data:
BISMUTH
S   3
  1      0.7002000             -0.6448000        
  2      0.3119000              0.8629000        
  3      0.1103000              0.6281000        
P   3
  1      0.8801000             -0.1183000        
  2      0.2207000              0.6082000        
  3      0.0754000              0.5234000        


name: CRENBS ECP
description: 1D UNCONTR Uncontracted
elt: Po
data:
POLONIUM
S   3
  1      0.6658000             -0.9719000        
  2      0.3696000              1.2626000        
  3      0.1146000              0.5547000        
P   3
  1      0.9172000             -0.1378000        
  2      0.2671000              0.6042000        
  3      0.0873000              0.5488000        


name: CRENBS ECP
description: 1D UNCONTR Uncontracted
elt: At
data:
ASTATINE
S   3
  1      0.7185000             -0.8845000        
  2      0.3553000              1.2676000        
  3      0.1246000              0.4473000        
P   3
  1      0.9293000             -0.1505000        
  2      0.2670000              0.7241000        
  3      0.0076000              0.4335000        


name: CRENBS ECP
description: 1D UNCONTR Uncontracted
elt: Rn
data:
RADON
S   3
  1      0.7022000             -1.2190000        
  2      0.4115000              1.6244000        
  3      0.1340000              0.4245000        
P   3
  1      1.0369000             -0.1715000        
  2      0.3308000              0.6618000        
  3      0.1108000              0.5105000        


name: CRENBS ECP
description: 1D UNCONTR Uncontracted
elt: Rf
data:
RUTHERFORDIUM
S   6
  1     17.2947070             -0.0094684        
  2      3.0860378             -0.1846579        
  3      1.7603053              0.8066281        
  4      0.7093796              0.4047424        
  5      0.2453532              0.0175019        
  6      0.0801662              0.0004944        
S   6
  1     17.2947070              0.0042577        
  2      3.0860378              0.0501892        
  3      1.7603053             -0.3129865        
  4      0.7093796             -0.0588430        
  5      0.2453532              0.5650892        
  6      0.0801662              0.5788189        
P   5
  1      7.6187816              0.0084469        
  2      3.4633023              0.0098015        
  3      1.5783319              0.5173363        
  4      0.7232524              0.4720575        
  5      0.3096631              0.1361044        
P   5
  1      7.6187816             -0.0063643        
  2      3.4633023             -0.0121487        
  3      1.5783319             -0.1689422        
  4      0.7232524             -0.1654860        
  5      0.3096631              0.0440299        
P   2
  1      0.0594585              0.0076593        
  2      0.0173357             -0.0006208        
P   2
  1      0.0594585              0.9088743        
  2      0.0173357              0.1350060        
D   6
  1     17.2947070             -0.0017744        
  2      3.0860378              0.0028623        
  3      1.7603053             -0.0310379        
  4      0.7093796              0.3319306        
  5      0.2453532              0.5355440        
  6      0.0801662              0.3618838        
F   5
  1      7.6187816              0.2187136        
  2      3.4633023              0.4494106        
  3      1.5783319              0.3593007        
  4      0.7232524              0.1804459        
  5      0.3096631              0.0538388        


name: CRENBS ECP
description: 1D UNCONTR Uncontracted
elt: Db
data:
DUBNIUM
S   6
  1     17.2947070             -0.0094684        
  2      3.0860378             -0.1846579        
  3      1.7603053              0.8066281        
  4      0.7093796              0.4047424        
  5      0.2453532              0.0175019        
  6      0.0801662              0.0004944        
S   6
  1     17.2947070              0.0042577        
  2      3.0860378              0.0501892        
  3      1.7603053             -0.3129865        
  4      0.7093796             -0.0588430        
  5      0.2453532              0.5650892        
  6      0.0801662              0.5788189        
P   5
  1      7.6187816              0.0084469        
  2      3.4633023              0.0098015        
  3      1.5783319              0.5173363        
  4      0.7232524              0.4720575        
  5      0.3096631              0.1361044        
P   5
  1      7.6187816             -0.0063643        
  2      3.4633023             -0.0121487        
  3      1.5783319             -0.1689422        
  4      0.7232524             -0.1654860        
  5      0.3096631              0.0440299        
P   2
  1      0.0594585              0.0076593        
  2      0.0173357             -0.0006208        
P   2
  1      0.0594585              0.9088743        
  2      0.0173357              0.1350060        
D   6
  1     17.2947070             -0.0017744        
  2      3.0860378              0.0028623        
  3      1.7603053             -0.0310379        
  4      0.7093796              0.3319306        
  5      0.2453532              0.5355440        
  6      0.0801662              0.3618838        
F   5
  1      7.6187816              0.2187136        
  2      3.4633023              0.4494106        
  3      1.5783319              0.3593007        
  4      0.7232524              0.1804459        
  5      0.3096631              0.0538388        


name: CRENBS ECP
description: 1D UNCONTR Uncontracted
elt: Sg
data:
SEABORGIUM
S   6
  1     25.4217990             -0.0072783        
  2      2.5987626             -0.5952257        
  3      2.0560785              1.2375087        
  4      0.7775353              0.3873694        
  5      0.2905247              0.0129585        
  6      0.0975429              0.0019599        
S   6
  1     25.4217990              0.0035287        
  2      2.5987626              0.1809421        
  3      2.0560785             -0.4797507        
  4      0.7775353             -0.0491834        
  5      0.2905247              0.5791945        
  6      0.0975429              0.5597535        
P   5
  1      8.1803385             -0.0073258        
  2      3.7089209              0.0325383        
  3      1.6650488              0.5496780        
  4      0.7708857              0.4422707        
  5      0.3359438              0.1132807        
P   5
  1      8.1803385             -0.0015702        
  2      3.7089209             -0.0224179        
  3      1.6650488             -0.2035960        
  4      0.7708857             -0.1597585        
  5      0.3359438              0.1153716        
P   2
  1      0.0670770              0.0067602        
  2      0.0175343             -0.0005630        
P   2
  1      0.0670770              0.9042778        
  2      0.0175343              0.0848274        
D   6
  1     25.4217990             -0.0012225        
  2      2.5987626             -0.0088082        
  3      2.0560785             -0.0219554        
  4      0.7775353              0.3959649        
  5      0.2905247              0.5345658        
  6      0.0975429              0.2755108        
F   5
  1      8.1803385              0.2325852        
  2      3.7089209              0.4789429        
  3      1.6650488              0.3529889        
  4      0.7708857              0.1410556        
  5      0.3359438              0.0331126        


name: CRENBS ECP
description: 1D UNCONTR Uncontracted
elt: Bh
data:
BOHRIUM
S   6
  1     23.2879010             -0.0081070        
  2      2.9548861             -0.4214287        
  3      2.1450303              1.0516080        
  4      0.8329362              0.3942674        
  5      0.3153532              0.0135999        
  6      0.1067331              0.0022291        
S   6
  1     23.2879010              0.0041663        
  2      2.9548861              0.1347480        
  3      2.1450303             -0.4422197        
  4      0.8329362             -0.0486414        
  5      0.3153532              0.5776463        
  6      0.1067331              0.5606683        
P   5
  1      9.0385688              0.0154737        
  2      4.0558872              0.0042116        
  3      1.8173171              0.5343428        
  4      0.8515955              0.4588743        
  5      0.3726824              0.1246171        
P   5
  1      9.0385688             -0.0087012        
  2      4.0558872             -0.0137344        
  3      1.8173171             -0.1985941        
  4      0.8515955             -0.1634918        
  5      0.3726824              0.0917953        
P   2
  1      0.0734333              0.0079585        
  2      0.0206490             -0.0008385        
P   2
  1      0.0734333              0.8918283        
  2      0.0206490              0.1219603        
D   6
  1     23.2879010             -0.0017316        
  2      2.9548861              0.0038486        
  3      2.1450303             -0.0378840        
  4      0.8329362              0.4176870        
  5      0.3153532              0.5362151        
  6      0.1067331              0.2475756        
F   5
  1      9.0385688              0.2089035        
  2      4.0558872              0.4897858        
  3      1.8173171              0.3609208        
  4      0.8515955              0.1399007        
  5      0.3726824              0.0331984        


name: CRENBS ECP
description: 1D UNCONTR Uncontracted
elt: Hs
data:
HASSIUM
S   6
  1     21.9203490             -0.0088519        
  2      3.4526239             -0.2775820        
  3      2.1942232              0.9073770        
  4      0.8822778              0.3899946        
  5      0.3368128              0.0130283        
  6      0.1147642              0.0024868        
S   6
  1     21.9203490              0.0048855        
  2      3.4526239              0.0891436        
  3      2.1942232             -0.4098645        
  4      0.8822778             -0.0393898        
  5      0.3368128              0.5862175        
  6      0.1147642              0.5491470        
P   5
  1      9.0496185              0.0107794        
  2      4.1141947              0.0069355        
  3      1.8708722              0.5560975        
  4      0.8714431              0.4473290        
  5      0.3779315              0.1114880        
P   5
  1      9.0496185             -0.0074263        
  2      4.1141947             -0.0144968        
  3      1.8708722             -0.2084999        
  4      0.8714431             -0.1492658        
  5      0.3779315              0.1072196        
P   2
  1      0.0769110              0.0059981        
  2      0.0226494             -0.0003974        
P   2
  1      0.0769110              0.8591336        
  2      0.0226494              0.1471806        
D   6
  1     21.9203490             -0.0016268        
  2      3.4526239             -0.0093037        
  3      2.1942232             -0.0291670        
  4      0.8822778              0.4335844        
  5      0.3368128              0.5254827        
  6      0.1147642              0.2413366        
F   5
  1      9.0496185              0.2283671        
  2      4.1141947              0.4918683        
  3      1.8708722              0.3492774        
  4      0.8714431              0.1289483        
  5      0.3779315              0.0251598        


name: CRENBS ECP
description: 1D UNCONTR Uncontracted
elt: Mt
data:
MEITNERIUM
S   6
  1     16.9907230             -0.0123253        
  2      4.2645591             -0.1776778        
  3      2.2388334              0.7989371        
  4      0.9508741              0.3902671        
  5      0.3635673              0.0177238        
  6      0.1242963              0.0016935        
S   6
  1     16.9907230              0.0074228        
  2      4.2645591              0.0592194        
  3      2.2388334             -0.3964769        
  4      0.9508741             -0.0297307        
  5      0.3635673              0.5890365        
  6      0.1242963              0.5440694        
P   5
  1      9.1139125              0.0063689        
  2      4.1561459              0.0222246        
  3      1.8778761              0.5868716        
  4      0.8651224              0.4228727        
  5      0.3714973              0.0926932        
P   5
  1      9.1139125             -0.0058669        
  2      4.1561459             -0.0190875        
  3      1.8778761             -0.2098840        
  4      0.8651224             -0.1179213        
  5      0.3714973              0.1062869        
P   2
  1      0.0783220              0.0038601        
  2      0.0249269              0.0000341        
P   2
  1      0.0783220              0.7921254        
  2      0.0249269              0.2217348        
D   6
  1     16.9907230             -0.0018001        
  2      4.2645591             -0.0103127        
  3      2.2388334             -0.0399022        
  4      0.9508741              0.4471858        
  5      0.3635673              0.5232073        
  6      0.1242963              0.2348771        
F   5
  1      9.1139125              0.2470154        
  2      4.1561459              0.5020261        
  3      1.8778761              0.3385913        
  4      0.8651224              0.1097074        
  5      0.3714973              0.0183220        


name: CRENBS ECP
description: 1D UNCONTR Uncontracted
elt: Uun
data:
UNUNNILIUM
S   6
  1     18.5614790             -0.0116504        
  2      4.2815409             -0.1376744        
  3      2.2388334              0.7767568        
  4      1.0755149              0.3533851        
  5      0.3881528              0.0471294        
  6      0.1326909             -0.0062906        
S   6
  1     18.5614790              0.0073688        
  2      4.2815409              0.0366179        
  3      2.2388334             -0.4041836        
  4      1.0755149              0.0015523        
  5      0.3881528              0.5793733        
  6      0.1326909              0.5456437        
P   5
  1     18.2388140             -0.0076594        
  2      6.8469230              0.0254525        
  3      3.7247118             -0.0098324        
  4      1.8829343              0.6927158        
  5      0.7479886              0.3866956        
P   5
  1     18.2388140             -0.0013407        
  2      6.8469230             -0.0179609        
  3      3.7247118              0.0035300        
  4      1.8829343             -0.2782637        
  5      0.7479886             -0.0834892        
P   2
  1      0.1277398              0.0368147        
  2      0.0386306             -0.0056803        
P   2
  1      0.1277398              0.6995712        
  2      0.0386306              0.4414086        
D   6
  1     18.5614790             -0.0050254        
  2      4.2815409              0.0230777        
  3      2.2388334             -0.1315039        
  4      1.0755149              0.5239005        
  5      0.3881528              0.5263976        
  6      0.1326909              0.2071495        
F   5
  1     18.2388140              0.0724698        
  2      6.8469230              0.3588522        
  3      3.7247118              0.3765663        
  4      1.8829343              0.3183215        
  5      0.7479886              0.0942456        


name: CRENBS ECP
description: 1D UNCONTR Uncontracted
elt: Uuu
data:
UNUNUNIUM
S   6
  1     28.9821980             -0.0076983        
  2      3.1520539             -1.5250903        
  3      2.7941365              2.1533160        
  4      1.0430570              0.3872604        
  5      0.4083108              0.0156980        
  6      0.1409560              0.0020620        
S   6
  1     28.9821980              0.0046436        
  2      3.1520539              0.5940494        
  3      2.7941365             -0.9485364        
  4      1.0430570             -0.0287443        
  5      0.4083108              0.6100351        
  6      0.1409560              0.5194302        
P   5
  1      9.9164969             -0.0020078        
  2      4.5599515              0.0176207        
  3      2.0820072              0.5856956        
  4      0.9727928              0.4250254        
  5      0.4197411              0.0939279        
P   5
  1      9.9164969             -0.0033004        
  2      4.5599515             -0.0183517        
  3      2.0820072             -0.2115921        
  4      0.9727928             -0.1175264        
  5      0.4197411              0.1033941        
P   2
  1      0.0902311              0.0039960        
  2      0.0290759              0.0000182        
P   2
  1      0.0902311              0.7751754        
  2      0.0290759              0.2447750        
D   6
  1     28.9821980             -0.0014923        
  2      3.1520539             -0.0096309        
  3      2.7941365             -0.0370095        
  4      1.0430570              0.4708011        
  5      0.4083108              0.5081483        
  6      0.1409560              0.2166593        
F   5
  1      9.9164969              0.2443478        
  2      4.5599515              0.5117339        
  3      2.0820072              0.3322471        
  4      0.9727928              0.1003968        
  5      0.4197411              0.0160408        


name: CRENBS ECP
description: 1D UNCONTR Uncontracted
elt: Uub
data:
UNUNBIUM
S   6
  1     21.7119070             -0.0117747        
  2      4.0519063             -0.3501435        
  3      2.7224689              0.9633368        
  4      1.1230624              0.3958727        
  5      0.4401965              0.0183443        
  6      0.1523479              0.0019877        
S   6
  1     21.7119070              0.0075186        
  2      4.0519063              0.1300922        
  3      2.7224689             -0.4931527        
  4      1.1230624             -0.0259788        
  5      0.4401965              0.6051899        
  6      0.1523479              0.5249203        
P   5
  1      9.9055975              0.0083678        
  2      4.5408196              0.0394776        
  3      2.0485838              0.6269515        
  4      0.9323977              0.3864127        
  5      0.3925141              0.0697300        
P   5
  1      9.9055975             -0.0061138        
  2      4.5408196             -0.0284981        
  3      2.0485838             -0.2216032        
  4      0.9323977             -0.0827334        
  5      0.3925141              0.1350055        
P   2
  1      0.0903696              0.0012573        
  2      0.0303724              0.0005968        
P   2
  1      0.0903696              0.7328491        
  2      0.0303724              0.2548009        
D   6
  1     21.7119070             -0.0018715        
  2      4.0519063             -0.0118821        
  3      2.7224689             -0.0473827        
  4      1.1230624              0.4768381        
  5      0.4401965              0.5116797        
  6      0.1523479              0.2124878        
F   5
  1      9.9055975              0.2688755        
  2      4.5408196              0.5218401        
  3      2.0485838              0.3159730        
  4      0.9323977              0.0816303        
  5      0.3925141              0.0106859        


name: CRENBS ECP
description: 1D UNCONTR Uncontracted
elt: Uut
data:
ELEMTN113
S   6
  1     18.0441130             -0.0149534        
  2      4.1716298             -0.4412975        
  3      2.9605510              1.0291651        
  4      1.2231770              0.4162210        
  5      0.4914624              0.0206770        
  6      0.1779609              0.0019305        
S   6
  1     18.0441130              0.0104708        
  2      4.1716298              0.1820409        
  3      2.9605510             -0.5574745        
  4      1.2231770             -0.0502859        
  5      0.4914624              0.6248411        
  6      0.1779609              0.5092242        
P   5
  1     10.9730000              0.0260541        
  2      4.9855571              0.0340186        
  3      2.2437546              0.6376294        
  4      1.0307168              0.4100723        
  5      0.4416325              0.0738487        
P   5
  1     10.9730000              0.0057268        
  2      4.9855571              0.0175298        
  3      2.2437546              0.1938103        
  4      1.0307168              0.0951994        
  5      0.4416325             -0.1269522        
P   3
  1      2.2429884             -0.0493773        
  2      0.0873824              0.0024441        
  3      0.0237909             -0.0003154        
P   3
  1      2.2429884              0.0011555        
  2      0.0873824             -0.6956211        
  3      0.0237909             -0.3416566        
D   6
  1     18.0441130             -0.0039344        
  2      4.1716298              0.0222837        
  3      2.9605510             -0.0905477        
  4      1.2231770              0.4886564        
  5      0.4914624              0.5197603        
  6      0.1779609              0.1874097        
F   5
  1     10.9730000              0.0002356        
  2      4.9855571              0.2353514        
  3      2.2437546              0.5345413        
  4      1.0307168              0.3266730        
  5      0.4416325              0.0944255        


name: CRENBS ECP
description: 1D UNCONTR Uncontracted
elt: Uuq
data:
UNUNQUADIUM
S   6
  1     39.9757620             -0.0063174        
  2      4.1097837             -0.2705511        
  3      2.7224689              0.9564804        
  4      1.2100945              0.3172862        
  5      0.4868278              0.0282116        
  6      0.1817576             -0.0029294        
S   6
  1     39.9757620              0.0045824        
  2      4.1097837              0.0708712        
  3      2.7224689             -0.5267574        
  4      1.2100945              0.0521564        
  5      0.4868278              0.6594168        
  6      0.1817576              0.4294648        
P   5
  1     11.0616840              0.0205419        
  2      5.1017154              0.0288886        
  3      2.3508303              0.6491614        
  4      1.1103357              0.4088821        
  5      0.4948663              0.0754787        
P   5
  1     11.0616840             -0.0047315        
  2      5.1017154             -0.0200513        
  3      2.3508303             -0.2318639        
  4      1.1103357             -0.1173115        
  5      0.4948663              0.0833920        
P   3
  1      1.7935886             -0.0589893        
  2      0.1433561              0.0033620        
  3      0.0512023              0.0001646        
P   3
  1      1.7935886             -0.0131234        
  2      0.1433561              0.5712058        
  3      0.0512023              0.4781007        
D   6
  1     39.9757620             -0.0013781        
  2      4.1097837             -0.0092541        
  3      2.7224689             -0.0545975        
  4      1.2100945              0.5513093        
  5      0.4868278              0.4882353        
  6      0.1817576              0.1367065        
F   5
  1     11.0616840              0.2496453        
  2      5.1017154              0.5266160        
  3      2.3508303              0.3197556        
  4      1.1103357              0.0831312        
  5      0.4948663              0.0106347        


name: CRENBS ECP
description: 1D UNCONTR Uncontracted
elt: Uup
data:
ELEMENT115
S   6
  1     36.4438300             -0.0072536        
  2      4.3686812             -0.3159259        
  3      2.9362844              0.9846712        
  4      1.2906059              0.3332858        
  5      0.5328963              0.0232578        
  6      0.2012507             -0.0016368        
S   6
  1     36.4438300              0.0055731        
  2      4.3686812              0.1032190        
  3      2.9362844             -0.5688409        
  4      1.2906059              0.0451151        
  5      0.5328963              0.6678157        
  6      0.2012507              0.4239077        
P   5
  1     17.3247370             -0.0055768        
  2      7.4743802              0.0386083        
  3      4.2628352             -0.0305519        
  4      2.4147049              0.6843563        
  5      1.0384794              0.3960650        
P   5
  1     17.3247370              0.0028949        
  2      7.4743802             -0.0158459        
  3      4.2628352             -0.0046763        
  4      2.4147049             -0.3135246        
  5      1.0384794             -0.0993365        
P   3
  1      4.6364816             -0.0054445        
  2      0.1597537              0.0332072        
  3      0.0468109             -0.0080145        
P   3
  1      4.6364816             -0.0127743        
  2      0.1597537              0.8768418        
  3      0.0468109              0.2406001        
D   6
  1     36.4438300             -0.0014468        
  2      4.3686812             -0.0164593        
  3      2.9362844             -0.0547179        
  4      1.2906059              0.5579176        
  5      0.5328963              0.4853572        
  6      0.2012507              0.1273314        
F   5
  1     17.3247370              0.0906138        
  2      7.4743802              0.4127940        
  3      4.2628352              0.3152939        
  4      2.4147049              0.2888529        
  5      1.0384794              0.0826323        


name: CRENBS ECP
description: 1D UNCONTR Uncontracted
elt: Uuh
data:
UNUNHEXIUM
S   6
  1     13.1511810             -0.0199376        
  2      5.2514419             -0.2048551        
  3      3.1100370              0.8109171        
  4      1.5109247              0.3852593        
  5      0.6164518              0.0391145        
  6      0.2333849             -0.0035421        
S   6
  1     13.1511810              0.0211636        
  2      5.2514419              0.0561259        
  3      3.1100370             -0.5182894        
  4      1.5109247             -0.0188690        
  5      0.6164518              0.6663561        
  6      0.2333849              0.4597625        
P   5
  1     30.5204540             -0.0096676        
  2      8.7320871              0.0534175        
  3      4.7704078             -0.0319697        
  4      2.4780453              0.6929553        
  5      0.0523035             -0.0058491        
P   5
  1     30.5204540              0.2378591        
  2      8.7320871              0.0044069        
  3      4.7704078             -0.0220658        
  4      2.4780453             -0.0217457        
  5      0.0523035              0.8826613        
P   2
  1      7.6428803              0.0039528        
  2      0.1813751              0.0285263        
P   2
  1      7.6428803              0.3771878        
  2      0.1813751             -0.0111824        
D   6
  1     13.1511810             -0.3402583        
  2      5.2514419             -0.0850615        
  3      3.1100370             -0.0207079        
  4      1.5109247              0.0819218        
  5      0.6164518             -0.1957913        
  6      0.2333849              0.5714190        
F   5
  1     30.5204540              0.1358131        
  2      8.7320871              0.0827166        
  3      4.7704078              0.3650974        
  4      2.4780453              0.4017765        
  5      0.0523035              0.5220167        


name: CRENBS ECP
description: 1D UNCONTR Uncontracted
elt: Uus
data:
ELEMENT117
S   6
  1     22.4731400             -0.0101151        
  2      7.1088634             -0.1153737        
  3      2.9362844              0.8073178        
  4      1.4785317              0.2859659        
  5      0.6049914              0.0385157        
  6      0.2390290             -0.0066453        
S   6
  1     22.4731400              0.0105213        
  2      7.1088634              0.0405580        
  3      2.9362844             -0.5946812        
  4      1.4785317              0.1434622        
  5      0.6049914              0.6630447        
  6      0.2390290              0.3973327        
P   5
  1     23.4594860             -0.0124442        
  2      9.2513080              0.0909913        
  3      5.5849091             -0.1109226        
  4      2.8239680              0.6679633        
  5      1.2453231              0.4355963        
P   5
  1     23.4594860              0.0050168        
  2      9.2513080             -0.0364324        
  3      5.5849091              0.0203243        
  4      2.8239680             -0.3616582        
  5      1.2453231             -0.1397700        
P   3
  1      5.6847500              0.0000108        
  2      0.2191043              0.0401292        
  3      0.0649429             -0.0064428        
P   3
  1      5.6847500             -0.0153859        
  2      0.2191043              0.8547123        
  3      0.0649429              0.2939070        
D   6
  1     22.4731400             -0.0046980        
  2      7.1088634              0.0091572        
  3      2.9362844             -0.1207304        
  4      1.4785317              0.6207979        
  5      0.6049914              0.4774583        
  6      0.2390290              0.1025891        
F   5
  1     23.4594860              0.0732167        
  2      9.2513080              0.2863169        
  3      5.5849091              0.4068732        
  4      2.8239680              0.3362860        
  5      1.2453231              0.0862475        


name: Core/valence Functions (cc-pCVQZ(old))
description: 3T Tight functions
elt: Al
data:
ALUMINUM
S   1
  1      9.7290000              1.0000000        
S   1
  1      4.8740000              1.0000000        
S   1
  1      2.4420000              1.0000000        
P   1
  1     10.0090000              1.0000000        
P   1
  1      4.5190000              1.0000000        
P   1
  1      2.0400000              1.0000000        
D   1
  1     14.8130000              1.0000000        
D   1
  1      5.6300000              1.0000000        
D   1
  1      2.1400000              1.0000000        
F   1
  1      9.8380000              1.0000000        
F   1
  1      3.5150000              1.0000000        
G   1
  1      6.8940000              1.0000000        


name: Core/valence Functions (cc-pCVQZ(old))
description: 3T Tight functions
elt: Si
data:
SILICON
S   1
  1     12.1750000              1.0000000        
S   1
  1      6.1930000              1.0000000        
S   1
  1      3.1500000              1.0000000        
P   1
  1     12.6150000              1.0000000        
P   1
  1      5.7310000              1.0000000        
P   1
  1      2.6040000              1.0000000        
D   1
  1     19.1360000              1.0000000        
D   1
  1      7.4200000              1.0000000        
D   1
  1      2.8770000              1.0000000        
F   1
  1     11.9100000              1.0000000        
F   1
  1      4.2980000              1.0000000        
G   1
  1      8.5810000              1.0000000        


name: Core/valence Functions (cc-pCVQZ(old))
description: 3T Tight functions
elt: P
data:
PHOSPHOROUS
S   1
  1     14.8330000              1.0000000        
S   1
  1      7.6340000              1.0000000        
S   1
  1      3.9290000              1.0000000        
P   1
  1     15.7710000              1.0000000        
P   1
  1      7.1360000              1.0000000        
P   1
  1      3.2290000              1.0000000        
D   1
  1     23.5480000              1.0000000        
D   1
  1      9.2670000              1.0000000        
D   1
  1      3.6470000              1.0000000        
F   1
  1     14.2060000              1.0000000        
F   1
  1      5.1490000              1.0000000        
G   1
  1     10.4500000              1.0000000        


name: Core/valence Functions (cc-pCVQZ(old))
description: 3T Tight functions
elt: S
data:
SULFUR
S   1
  1     17.5960000              1.0000000        
S   1
  1      9.2560000              1.0000000        
S   1
  1      4.8690000              1.0000000        
P   1
  1     17.8640000              1.0000000        
P   1
  1      8.1500000              1.0000000        
P   1
  1      3.7180000              1.0000000        
D   1
  1     27.3780000              1.0000000        
D   1
  1     10.8730000              1.0000000        
D   1
  1      4.3180000              1.0000000        
F   1
  1     16.5820000              1.0000000        
F   1
  1      6.0320000              1.0000000        
G   1
  1     12.4870000              1.0000000        


name: Core/valence Functions (cc-pCVQZ(old))
description: 3T Tight functions
elt: Cl
data:
CHLORINE
S   1
  1     20.7470000              1.0000000        
S   1
  1     10.8850000              1.0000000        
S   1
  1      5.7110000              1.0000000        
P   1
  1     20.6670000              1.0000000        
P   1
  1      9.3390000              1.0000000        
P   1
  1      4.2200000              1.0000000        
D   1
  1     32.2060000              1.0000000        
D   1
  1     12.8820000              1.0000000        
D   1
  1      5.1530000              1.0000000        
F   1
  1     19.1140000              1.0000000        
F   1
  1      6.9530000              1.0000000        
G   1
  1     14.7810000              1.0000000        


name: Core/valence Functions (cc-pCVQZ(old))
description: 3T Tight functions
elt: Ar
data:
ARGON
S   1
  1     24.0440000              1.0000000        
S   1
  1     12.7150000              1.0000000        
S   1
  1      6.7240000              1.0000000        
P   1
  1     23.6330000              1.0000000        
P   1
  1     10.6550000              1.0000000        
P   1
  1      4.8040000              1.0000000        
D   1
  1     37.4110000              1.0000000        
D   1
  1     15.0250000              1.0000000        
D   1
  1      6.0340000              1.0000000        
F   1
  1     21.8690000              1.0000000        
F   1
  1      7.9580000              1.0000000        
G   1
  1     17.2440000              1.0000000        


name: Core/valence Functions (cc-pCVTZ(old))
description: 2T Tight functions
elt: Al
data:
ALUMINUM
S   1
  1      7.4970000              1.0000000        
S   1
  1      1.2750000              1.0000000        
P   1
  1      2.1990000              1.0000000        
P   1
  1      5.5370000              1.0000000        
D   1
  1      2.6340000              1.0000000        
D   1
  1      8.6450000              1.0000000        
F   1
  1      5.6870000              1.0000000        


name: Core/valence Functions (cc-pCVTZ(old))
description: 2T Tight functions
elt: Si
data:
SILICON
S   1
  1      9.1570000              1.0000000        
S   1
  1      1.6190000              1.0000000        
P   1
  1      6.4460000              1.0000000        
P   1
  1      2.5140000              1.0000000        
D   1
  1     10.6590000              1.0000000        
D   1
  1      3.3050000              1.0000000        
F   1
  1      7.0020000              1.0000000        


name: Core/valence Functions (cc-pCVTZ(old))
description: 2T Tight functions
elt: P
data:
PHOSPHOROUS
S   1
  1     11.0060000              1.0000000        
S   1
  1      2.0030000              1.0000000        
P   1
  1      7.0710000              1.0000000        
P   1
  1      2.6980000              1.0000000        
D   1
  1     12.8650000              1.0000000        
D   1
  1      4.0430000              1.0000000        
F   1
  1      8.4650000              1.0000000        


name: Core/valence Functions (cc-pCVTZ(old))
description: 2T Tight functions
elt: S
data:
SULFUR
S   1
  1     12.9300000              1.0000000        
S   1
  1      2.4100000              1.0000000        
P   1
  1      8.1010000              1.0000000        
P   1
  1      3.1050000              1.0000000        
D   1
  1     15.2430000              1.0000000        
D   1
  1      4.8420000              1.0000000        
F   1
  1     10.0530000              1.0000000        


name: Core/valence Functions (cc-pCVTZ(old))
description: 2T Tight functions
elt: Cl
data:
CHLORINE
S   1
  1     15.0780000              1.0000000        
S   1
  1      2.8710000              1.0000000        
P   1
  1      9.4820000              1.0000000        
P   1
  1      3.6710000              1.0000000        
D   1
  1     17.9440000              1.0000000        
D   1
  1      5.7550000              1.0000000        
F   1
  1     11.7800000              1.0000000        


name: Core/valence Functions (cc-pCVTZ(old))
description: 2T Tight functions
elt: Ar
data:
ARGON
S   1
  1     17.4100000              1.0000000        
S   1
  1      3.3760000              1.0000000        
P   1
  1     11.0190000              1.0000000        
P   1
  1      4.3060000              1.0000000        
D   1
  1     20.7050000              1.0000000        
D   1
  1      6.6790000              1.0000000        
F   1
  1     13.6750000              1.0000000        


name: Core/valence Functions (cc-pCVTZ)
description: 2T Tight functions
elt: Li
data:
LITHIUM
S   1
  1      1.9740000              1.0000000        
S   1
  1      0.6830000              1.0000000        
P   1
  1      7.3200000              1.0000000        
P   1
  1      1.8750000              1.0000000        
D   1
  1      4.9120000              1.0000000        


name: Core/valence Functions (cc-pCVTZ)
description: 2T Tight functions
elt: Be
data:
BERYLLIUM
S   1
  1      4.6040000              1.0000000        
S   1
  1      1.6170000              1.0000000        
P   1
  1     14.4970000              1.0000000        
P   1
  1      3.7870000              1.0000000        
D   1
  1      9.1830000              1.0000000        


name: Core/valence Functions (cc-pCVTZ)
description: 2T Tight functions
elt: B
data:
BORON
S   1
  1      2.9400000              1.0000000        
S   1
  1      8.3110000              1.0000000        
P   1
  1      6.0160000              1.0000000        
P   1
  1     22.8910000              1.0000000        
D   1
  1     13.0150000              1.0000000        


name: Core/valence Functions (cc-pCVTZ)
description: 2T Tight functions
elt: C
data:
CARBON
S   1
  1      4.2920000              1.0000000        
S   1
  1     11.8760000              1.0000000        
P   1
  1      8.7780000              1.0000000        
P   1
  1     33.1900000              1.0000000        
D   1
  1     14.8390000              1.0000000        


name: Core/valence Functions (cc-pCVTZ)
description: 2T Tight functions
elt: N
data:
NITROGEN
S   1
  1      5.9520000              1.0000000        
S   1
  1     16.2010000              1.0000000        
P   1
  1     11.8710000              1.0000000        
P   1
  1     44.8490000              1.0000000        
D   1
  1     14.2000000              1.0000000        


name: Core/valence Functions (cc-pCVTZ)
description: 2T Tight functions
elt: O
data:
OXYGEN
S   1
  1      7.8450000              1.0000000        
S   1
  1     21.0320000              1.0000000        
P   1
  1     15.1590000              1.0000000        
P   1
  1     57.4370000              1.0000000        
D   1
  1     15.8580000              1.0000000        


name: Core/valence Functions (cc-pCVTZ)
description: 2T Tight functions
elt: F
data:
FLUORINE
S   1
  1      9.8120000              1.0000000        
S   1
  1     25.9430000              1.0000000        
P   1
  1     18.7560000              1.0000000        
P   1
  1     71.3480000              1.0000000        
D   1
  1     19.1080000              1.0000000        


name: Core/valence Functions (cc-pCVTZ)
description: 2T Tight functions
elt: Ne
data:
NEON
S   1
  1     12.0830000              1.0000000        
S   1
  1     31.9470000              1.0000000        
P   1
  1     22.8270000              1.0000000        
P   1
  1     87.0170000              1.0000000        
D   1
  1     23.1680000              1.0000000        


name: Core/valence Functions (cc-pCVTZ)
description: 2T Tight functions
elt: Na
data:
SODIUM
S   1
  1      4.1890000              1.0000000        
S   1
  1      0.6260000              1.0000000        
P   1
  1      1.5690000              1.0000000        
P   1
  1      0.5120000              1.0000000        
D   1
  1      5.4040000              1.0000000        
D   1
  1      1.5300000              1.0000000        
F   1
  1      3.4650000              1.0000000        


