# all_value

name: cc-pVTZ(seg-opt)
description: VTZ2P Valence Triple Zeta + Polarization on All Atoms
elt: Ne
data:
NEON
S   7
  1  24350.0000000              0.00050823       
  2   3650.0000000              0.00392910       
  3    829.6000000              0.02024455       
  4    234.0000000              0.07938036       
  5     75.6100000              0.23244288       
  6     26.7300000              0.43756632       
  7      9.9270000              0.35377001       
S   7
  1  24350.0000000              0.00000120       
  2   3650.0000000              0.00000568       
  3    234.0000000             -0.00085669       
  4     75.6100000             -0.00777524       
  5     26.7300000             -0.05216781       
  6      9.9270000             -0.12343198       
  7      1.1020000              0.78771889       
S   1
  1      2.8360000              1.0000000        
S   1
  1      0.3782000              1.0000000        
P   3
  1     54.7000000              0.0171510        
  2     12.4300000              0.1076560        
  3      3.6790000              0.3216810        
P   1
  1      1.1430000              1.0000000        
P   1
  1      0.3300000              1.0000000        
D   1
  1      4.0140000              1.0000000        
D   1
  1      1.0960000              1.0000000        
F   1
  1      2.5440000              1.0000000        


name: cc-pVTZ(seg-opt)
description: VTZ2P Valence Triple Zeta + Polarization on All Atoms
elt: Na
data:
SODIUM
S   12
  1 423000.0000000              0.00001806       
  2  63340.0000000              0.00014043       
  3  14410.0000000              0.00073845       
  4   4077.0000000              0.00311187       
  5   1328.0000000              0.01120829       
  6    478.6000000              0.03528361       
  7    186.2000000              0.09599265       
  8     76.9200000              0.21374731       
  9     33.3200000              0.34872680       
 10     15.0000000              0.32465964       
 11      6.8690000              0.11265222       
 12      2.6830000              0.00670647       
S   12
  1 423000.0000000              0.00000003       
  2  63340.0000000              0.00000014       
  3  14410.0000000              0.00000128       
  4   1328.0000000             -0.00000121       
  5    478.6000000             -0.00022002       
  6    186.2000000             -0.00136144       
  7     76.9200000             -0.00899851       
  8     33.3200000             -0.03414214       
  9     15.0000000             -0.09159224       
 10      6.8690000             -0.01797881       
 11      2.6830000              0.37594796       
 12      1.1090000              0.62159455       
S   12
  1 423000.0000000              0.00000007       
  2  63340.0000000              0.00000032       
  3  14410.0000000              0.00000298       
  4    478.6000000             -0.00048984       
  5    186.2000000             -0.00298653       
  6     76.9200000             -0.01998258       
  7     33.3200000             -0.07538099       
  8     15.0000000             -0.20300446       
  9      6.8690000             -0.03867926       
 10      2.6830000              0.82337412       
 11      1.1090000              1.34351812       
 12      0.0601500              0.81655145       
S   1
  1      0.4540000              1.0000000        
S   1
  1      0.0238200              1.0000000        
P   7
  1    243.3000000              0.00224410       
  2     57.3900000              0.01740132       
  3     18.1000000              0.07741973       
  4      6.5750000              0.21912976       
  5      2.5210000              0.37856395       
  6      0.9607000              0.39500854       
  7      0.3512000              0.16047908       
P   7
  1     57.3900000             -0.00004219       
  2     18.1000000             -0.00018968       
  3      6.5750000             -0.00185735       
  4      2.5210000             -0.00212049       
  5      0.9607000             -0.01359725       
  6      0.3512000             -0.00766425       
  7      0.0982700              0.42316543       
P   1
  1      0.0373400              1.0000000        
P   1
  1      0.0150000              1.0000000        
D   1
  1      0.1367000              1.0000000        
D   1
  1      0.0636000              1.0000000        
F   1
  1      0.1397000              1.0000000        


name: cc-pVTZ(seg-opt)
description: VTZ2P Valence Triple Zeta + Polarization on All Atoms
elt: Mg
data:
MAGNESIUM
S   11
  1 164900.0000000              0.00007299       
  2  24710.0000000              0.00056663       
  3   5628.0000000              0.00296255       
  4   1596.0000000              0.01229586       
  5    521.0000000              0.04273194       
  6    188.0000000              0.12302264       
  7     73.0100000              0.27489904       
  8     29.9000000              0.40215007       
  9     12.5400000              0.26520544       
 10      4.3060000              0.03205631       
 11      1.8260000             -0.00788236       
S   11
  1 164900.0000000              0.00000024       
  2  24710.0000000              0.00000140       
  3   5628.0000000              0.00000889       
  4    521.0000000             -0.00012231       
  5    188.0000000             -0.00216553       
  6     73.0100000             -0.01239675       
  7     29.9000000             -0.05692040       
  8     12.5400000             -0.08571365       
  9      4.3060000              0.20049608       
 10      1.8260000              0.58174847       
 11      0.7417000              0.37181130       
S   11
  1 164900.0000000              0.00000002       
  2  24710.0000000              0.00000010       
  3   5628.0000000              0.00000088       
  4    188.0000000             -0.00012841       
  5     73.0100000             -0.00061244       
  6     29.9000000             -0.00305919       
  7     12.5400000             -0.00344431       
  8      4.3060000              0.00527255       
  9      1.8260000             -0.01010335       
 10      0.7417000             -0.17126047       
 11      0.0761200              0.74321212       
S   1
  1      0.1457000              1.0000000        
S   1
  1      0.0331000              1.0000000        
P   7
  1    316.9000000              0.00207625       
  2     74.8600000              0.01629423       
  3     23.7200000              0.07389855       
  4      8.6690000              0.21436913       
  5      3.3630000              0.38224438       
  6      1.3100000              0.39817876       
  7      0.4911000              0.15261673       
P   7
  1     74.8600000              0.00000028       
  2     23.7200000             -0.00040306       
  3      8.6690000             -0.00223864       
  4      3.3630000             -0.00752997       
  5      1.3100000             -0.01648498       
  6      0.4911000             -0.03051878       
  7      0.2364000              0.40482820       
P   1
  1      0.0873300              1.0000000        
P   1
  1      0.0323700              1.0000000        
D   1
  1      0.1260000              1.0000000        
D   1
  1      0.2940000              1.0000000        
F   1
  1      0.2520000              1.0000000        


name: cc-pVTZ(seg-opt)
description: VTZ2P Valence Triple Zeta + Polarization on All Atoms
elt: Al
data:
ALUMINUM
S   11
  1 205500.0000000              0.00006788       
  2  30780.0000000              0.00052711       
  3   7006.0000000              0.00276184       
  4   1985.0000000              0.01147219       
  5    649.1000000              0.03981763       
  6    235.0000000              0.11504636       
  7     91.6200000              0.26094925       
  8     37.6700000              0.39670451       
  9     15.9100000              0.28518359       
 10      5.8500000              0.04356782       
 11      2.5420000             -0.00846385       
S   11
  1 205500.0000000              0.00000018       
  2  30780.0000000              0.00000119       
  3   7006.0000000              0.00000616       
  4    649.1000000             -0.00015117       
  5    235.0000000             -0.00196120       
  6     91.6200000             -0.01197597       
  7     37.6700000             -0.05337437       
  8     15.9100000             -0.09476540       
  9      5.8500000              0.14013667       
 10      2.5420000              0.56626659       
 11      1.0570000              0.43957416       
S   11
  1 205500.0000000              0.00000002       
  2  30780.0000000              0.00000008       
  3   7006.0000000              0.00000071       
  4    235.0000000             -0.00010363       
  5     91.6200000             -0.00049434       
  6     37.6700000             -0.00246131       
  7     15.9100000             -0.00288220       
  8      5.8500000              0.00221687       
  9      2.5420000             -0.01772537       
 10      1.0570000             -0.19456360       
 11      0.1455000              0.83916779       
S   1
  1      0.2931000              1.0000000        
S   1
  1      0.0565000              1.0000000        
P   6
  1    444.4000000              0.00173391       
  2    105.1000000              0.01392263       
  3     33.4700000              0.06522521       
  4     12.3300000              0.20017866       
  5      4.8690000              0.38394850       
  6      1.9610000              0.43558565       
P   6
  1    105.1000000             -0.00017480       
  2     33.4700000             -0.00013319       
  3     12.3300000             -0.00475968       
  4      4.8690000             -0.00098982       
  5      1.9610000             -0.03568968       
  6      0.1888000              0.71046193       
P   1
  1      0.7834000              1.0000000        
P   1
  1      0.0555700              1.0000000        
D   1
  1      0.1090000              1.0000000        
D   1
  1      0.3330000              1.0000000        
F   1
  1      0.2440000              1.0000000        


name: cc-pVTZ(seg-opt)
description: VTZ2P Valence Triple Zeta + Polarization on All Atoms
elt: Si
data:
SILICON
S   11
  1 254900.0000000              0.00006251       
  2  38190.0000000              0.00048552       
  3   8690.0000000              0.00254498       
  4   2462.0000000              0.01058597       
  5    804.8000000              0.03687741       
  6    291.3000000              0.10748259       
  7    113.6000000              0.24798550       
  8     46.7500000              0.39118703       
  9     19.8200000              0.30257711       
 10      7.7080000              0.05537785       
 11      3.3400000             -0.00712512       
S   11
  1 254900.0000000              0.00000014       
  2  38190.0000000              0.00000102       
  3   8690.0000000              0.00000430       
  4    804.8000000             -0.00016040       
  5    291.3000000             -0.00176214       
  6    113.6000000             -0.01137378       
  7     46.7500000             -0.05015152       
  8     19.8200000             -0.10096384       
  9      7.7080000              0.09639297       
 10      3.3400000              0.55498165       
 11      1.4020000              0.48600827       
S   11
  1 254900.0000000              0.00000001       
  2  38190.0000000              0.00000006       
  3   8690.0000000              0.00000051       
  4    291.3000000             -0.00007508       
  5    113.6000000             -0.00036120       
  6     46.7500000             -0.00176812       
  7     19.8200000             -0.00195575       
  8      7.7080000              0.00069489       
  9      3.3400000             -0.02685967       
 10      1.4020000             -0.21621457       
 11      0.2070000              0.86305744       
S   1
  1      0.4387000              1.0000000        
S   1
  1      0.0794400              1.0000000        
P   6
  1    481.5000000              0.00200073       
  2    113.9000000              0.01599801       
  3     36.2300000              0.07438558       
  4     13.3400000              0.22198821       
  5      5.2520000              0.40669611       
  6      2.1200000              0.41039719       
P   6
  1    113.9000000             -0.00016001       
  2     36.2300000             -0.00029669       
  3     13.3400000             -0.00533559       
  4      5.2520000             -0.00421638       
  5      2.1200000             -0.03908399       
  6      0.2528000              0.74339997       
P   1
  1      0.8561000              1.0000000        
P   1
  1      0.0788900              1.0000000        
D   1
  1      0.1590000              1.0000000        
D   1
  1      0.4810000              1.0000000        
F   1
  1      0.3360000              1.0000000        


name: cc-pVTZ(seg-opt)
description: VTZ2P Valence Triple Zeta + Polarization on All Atoms
elt: P
data:
PHOSPHOROUS
S   11
  1 312400.0000000              0.00005769       
  2  46800.0000000              0.00044827       
  3  10650.0000000              0.00234925       
  4   3018.0000000              0.00978211       
  5    986.8000000              0.03414554       
  6    357.4000000              0.10020529       
  7    139.6000000              0.23440516       
  8     57.6300000              0.38261335       
  9     24.6000000              0.31852212       
 10     10.1200000              0.07052989       
 11      4.2830000             -0.00412590       
S   11
  1 312400.0000000              0.00000010       
  2  46800.0000000              0.00000084       
  3  10650.0000000              0.00000264       
  4    986.8000000             -0.00016737       
  5    357.4000000             -0.00157765       
  6    139.6000000             -0.01067979       
  7     57.6300000             -0.04642729       
  8     24.6000000             -0.10482865       
  9     10.1200000              0.05692825       
 10      4.2830000              0.53986949       
 11      1.8050000              0.52891840       
S   11
  1 312400.0000000              0.00000001       
  2  46800.0000000              0.00000005       
  3  10650.0000000              0.00000049       
  4    357.4000000             -0.00007186       
  5    139.6000000             -0.00034880       
  6     57.6300000             -0.00173921       
  7     24.6000000             -0.00210497       
  8     10.1200000              0.00061789       
  9      4.2830000             -0.02581562       
 10      1.8050000             -0.22812942       
 11      0.2782000              0.88113942       
S   1
  1      0.6158000              1.0000000        
S   1
  1      0.1055000              1.0000000        
P   6
  1    504.9000000              0.00238498       
  2    119.4000000              0.01891905       
  3     37.9600000              0.08670049       
  4     13.9500000              0.24958297       
  5      5.4570000              0.43133755       
  6      2.1770000              0.37583743       
P   6
  1    119.4000000             -0.00007157       
  2     37.9600000             -0.00058994       
  3     13.9500000             -0.00479764       
  4      5.4570000             -0.01113460       
  5      2.1770000             -0.02369496       
  6      0.2877000              0.75524298       
P   1
  1      0.8010000              1.0000000        
P   1
  1      0.0971400              1.0000000        
D   1
  1      0.2160000              1.0000000        
D   1
  1      0.6520000              1.0000000        
F   1
  1      0.4520000              1.0000000        


name: cc-pVTZ(seg-opt)
description: VTZ2P Valence Triple Zeta + Polarization on All Atoms
elt: S
data:
SULFUR
S   11
  1 374100.0000000              0.00005421       
  2  56050.0000000              0.00042083       
  3  12760.0000000              0.00220688       
  4   3615.0000000              0.00919218       
  5   1183.0000000              0.03211143       
  6    428.8000000              0.09466869       
  7    167.8000000              0.22365199       
  8     69.4700000              0.37451309       
  9     29.8400000              0.32942648       
 10     12.7200000              0.08459822       
 11      5.2440000             -0.00120266       
S   11
  1 374100.0000000              0.00000008       
  2  56050.0000000              0.00000073       
  3  12760.0000000              0.00000156       
  4   1183.0000000             -0.00017063       
  5    428.8000000             -0.00144297       
  6    167.8000000             -0.01013876       
  7     69.4700000             -0.04355588       
  8     29.8400000             -0.10645153       
  9     12.7200000              0.03255928       
 10      5.2440000              0.52989908       
 11      2.2190000              0.55427692       
S   11
  1 374100.0000000              0.00000001       
  2  56050.0000000              0.00000004       
  3  12760.0000000              0.00000033       
  4    428.8000000             -0.00004894       
  5    167.8000000             -0.00023365       
  6     69.4700000             -0.00111784       
  7     29.8400000             -0.00100911       
  8     12.7200000              0.00053449       
  9      5.2440000             -0.03440730       
 10      2.2190000             -0.24553177       
 11      0.3490000              0.89044878       
S   1
  1      0.7767000              1.0000000        
S   1
  1      0.1322000              1.0000000        
P   6
  1    574.4000000              0.00245950       
  2    135.8000000              0.01957291       
  3     43.1900000              0.08988185       
  4     15.8700000              0.25849862       
  5      6.2080000              0.44047201       
  6      2.4830000              0.36029891       
P   6
  1    135.8000000             -0.00000523       
  2     43.1900000             -0.00078839       
  3     15.8700000             -0.00437243       
  4      6.2080000             -0.01678386       
  5      2.4830000             -0.00798484       
  6      0.3229000              0.74417306       
P   1
  1      0.8688000              1.0000000        
P   1
  1      0.1098000              1.0000000        
D   1
  1      0.2690000              1.0000000        
D   1
  1      0.8190000              1.0000000        
F   1
  1      0.5570000              1.0000000        


name: cc-pVTZ(seg-opt)
description: VTZ2P Valence Triple Zeta + Polarization on All Atoms
elt: Cl
data:
CHLORINE
S   11
  1 456100.0000000              0.00004930       
  2  68330.0000000              0.00038302       
  3  15550.0000000              0.00200848       
  4   4405.0000000              0.00838534       
  5   1439.0000000              0.02946977       
  6    520.4000000              0.08783241       
  7    203.1000000              0.21148481       
  8     83.9600000              0.36543021       
  9     36.2000000              0.34107709       
 10     15.8300000              0.10211190       
 11      6.3340000              0.00214144       
S   11
  1 456100.0000000              0.00000005       
  2  68330.0000000              0.00000060       
  3  15550.0000000              0.00000053       
  4   1439.0000000             -0.00016510       
  5    520.4000000             -0.00126912       
  6    203.1000000             -0.00937050       
  7     83.9600000             -0.04021004       
  8     36.2000000             -0.10654733       
  9     15.8300000              0.00948710       
 10      6.3340000              0.51584431       
 11      2.6940000              0.57913764       
S   11
  1 456100.0000000              0.00000001       
  2  68330.0000000              0.00000003       
  3  15550.0000000              0.00000028       
  4    520.4000000             -0.00004245       
  5    203.1000000             -0.00020761       
  6     83.9600000             -0.00100346       
  7     36.2000000             -0.00092446       
  8     15.8300000              0.00076373       
  9      6.3340000             -0.03499594       
 10      2.6940000             -0.25495618       
 11      0.4313000              0.90028457       
S   1
  1      0.9768000              1.0000000        
S   1
  1      0.1625000              1.0000000        
P   6
  1    663.3000000              0.00243891       
  2    156.8000000              0.01949011       
  3     49.9800000              0.08977154       
  4     18.4200000              0.25965851       
  5      7.2400000              0.44305597       
  6      2.9220000              0.35535305       
P   6
  1    156.8000000              0.00002226       
  2     49.9800000             -0.00090089       
  3     18.4200000             -0.00442340       
  4      7.2400000             -0.02032677       
  5      2.9220000              0.00031901       
  6      0.3818000              0.73762441       
P   1
  1      1.0220000              1.0000000        
P   1
  1      0.1301000              1.0000000        
D   1
  1      1.0460000              1.0000000        
D   1
  1      0.3440000              1.0000000        
F   1
  1      0.7060000              1.0000000        


name: cc-pVTZ(seg-opt)
description: VTZ2P Valence Triple Zeta + Polarization on All Atoms
elt: Ar
data:
ARGON
S   11
  1 545000.0000000              0.00004558       
  2  81640.0000000              0.00035410       
  3  18580.0000000              0.00185795       
  4   5261.0000000              0.00776841       
  5   1717.0000000              0.02742300       
  6    619.9000000              0.08238353       
  7    241.6000000              0.20123473       
  8     99.7900000              0.35680757       
  9     43.1500000              0.34964569       
 10     19.1400000              0.11827097       
 11      7.4880000              0.00518884       
S   11
  1 545000.0000000              0.00000004       
  2  81640.0000000              0.00000051       
  3  18580.0000000             -0.00000008       
  4   1717.0000000             -0.00015850       
  5    619.9000000             -0.00114105       
  6    241.6000000             -0.00873152       
  7     99.7900000             -0.03755605       
  8     43.1500000             -0.10563244       
  9     19.1400000             -0.00783901       
 10      7.4880000              0.50322656       
 11      3.2050000              0.59773139       
S   11
  1 545000.0000000              0.00000001       
  2  81640.0000000              0.00000003       
  3  18580.0000000              0.00000024       
  4    619.9000000             -0.00003652       
  5    241.6000000             -0.00018121       
  6     99.7900000             -0.00087780       
  7     43.1500000             -0.00077047       
  8     19.1400000              0.00101525       
  9      7.4880000             -0.03616140       
 10      3.2050000             -0.26318234       
 11      0.5204000              0.90746711       
S   1
  1      1.1960000              1.0000000        
S   1
  1      0.1954000              1.0000000        
P   6
  1    761.8000000              0.00240269       
  2    180.2000000              0.01928445       
  3     57.5000000              0.08929747       
  4     21.2400000              0.25990586       
  5      8.3880000              0.44464010       
  6      3.4160000              0.35244184       
P   6
  1    180.2000000              0.00003653       
  2     57.5000000             -0.00098116       
  3     21.2400000             -0.00462553       
  4      8.3880000             -0.02303865       
  5      3.4160000              0.00599348       
  6      0.4523000              0.73378321       
P   1
  1      1.2060000              1.0000000        
P   1
  1      0.1545000              1.0000000        
D   1
  1      0.4100000              1.0000000        
D   1
  1      1.2540000              1.0000000        
F   1
  1      0.8900000              1.0000000        


name: cc-pVTZ(seg-opt)
description: VTZ2P Valence Triple Zeta + Polarization on All Atoms
elt: Ga
data:
GALLIUM
S   15
  1 6558157.3000000             0.00000800       
  2 982025.3400000              0.00006220       
  3 223467.6900000              0.00032701       
  4  63288.2910000              0.00137940       
  5  20642.9400000              0.00499845       
  6   7450.5224000              0.01605256       
  7   2905.0744000              0.04594568       
  8   1204.2100000              0.11481758       
  9    524.3045400              0.23535988       
 10    237.4656300              0.34598908       
 11    110.5786600              0.27759527       
 12     51.3746240              0.08587120       
 13     24.4408460              0.06376571       
 14     11.7685910              0.06898293       
 15      5.3421190              0.01326647       
S   14
  1 6558157.3000000            -0.00000002       
  2 223467.6900000              0.00000009       
  3  20642.9400000             -0.00000666       
  4   7450.5224000             -0.00006251       
  5   2905.0744000             -0.00052565       
  6   1204.2100000             -0.00318951       
  7    524.3045400             -0.01601207       
  8    237.4656300             -0.05680927       
  9    110.5786600             -0.10995882       
 10     51.3746240              0.03670142       
 11     24.4408460              0.49656133       
 12     11.7685910              0.53130695       
 13      5.3421190              0.11020454       
 14      2.4950360             -0.00388732       
S   15
  1 6558157.3000000            -0.00000005       
  2 982025.3400000              0.00000004       
  3 223467.6900000              0.00000002       
  4   7450.5224000              0.00000385       
  5   2905.0744000              0.00001987       
  6   1204.2100000              0.00016246       
  7    524.3045400              0.00076851       
  8    237.4656300              0.00347050       
  9    110.5786600              0.00822196       
 10     51.3746240             -0.00025760       
 11     24.4408460             -0.10978347       
 12     11.7685910             -0.27505583       
 13      5.3421190              0.12979210       
 14      2.4950360              0.71958620       
 15      1.0987730              0.43322985       
S   15
  1 6558157.3000000             0.00000001       
  2 982025.3400000             -0.00000005       
  3 223467.6900000             -0.00000002       
  4   2905.0744000              0.00000561       
  5   1204.2100000              0.00002567       
  6    524.3045400              0.00014226       
  7    237.4656300              0.00024796       
  8    110.5786600             -0.00018862       
  9     51.3746240             -0.00081790       
 10     24.4408460              0.02853744       
 11     11.7685910              0.09006843       
 12      5.3421190             -0.04817356       
 13      2.4950360             -0.20307845       
 14      1.0987730              0.10641637       
 15      0.2601800             -0.52790736       
S   1
  1      0.1270790              1.0000000        
S   1
  1      0.0544080              1.0000000        
P   9
  1   8050.1674000              0.00031690       
  2   1907.5361000              0.00276480       
  3    618.6274600              0.01512063       
  4    235.3241700              0.05995976       
  5     98.8996460              0.17332393       
  6     44.2482150              0.34111820       
  7     20.6174290              0.38976530       
  8      9.7805160              0.18373841       
  9      4.4412380              0.02096367       
P   9
  1   8050.1674000             -0.00000094       
  2    618.6274600             -0.00007229       
  3    235.3241700             -0.00025851       
  4     98.8996460             -0.00258117       
  5     44.2482150             -0.00619712       
  6     20.6174290             -0.01487549       
  7      9.7805160              0.04999996       
  8      4.4412380              0.16478326       
  9      1.9640450              0.24875643       
P   9
  1   8050.1674000              0.00000145       
  2    235.3241700             -0.00068029       
  3     98.8996460             -0.00398694       
  4     44.2482150             -0.01757094       
  5     20.6174290             -0.02287088       
  6      9.7805160              0.09046535       
  7      4.4412380              0.42938682       
  8      1.9640450              0.39753850       
  9      0.8335780              0.28929412       
P   1
  1      0.1934450              1.0000000        
P   1
  1      0.0561170              1.0000000        
D   7
  1    244.1474100              0.0020270        
  2     73.0675950              0.0165088        
  3     27.5920810              0.0703823        
  4     11.5465180              0.1911430        
  5      5.0486280              0.3254092        
  6      2.1784650              0.3678199        
  7      0.9002530              0.2744685        
D   1
  1      0.3373270              1.0000000        
D   1
  1      0.1169000              1.0000000        
F   1
  1      0.2881000              1.0000000        


name: cc-pVTZ(seg-opt)
description: VTZ2P Valence Triple Zeta + Polarization on All Atoms
elt: Ge
data:
GERMANIUM
S   15
  1 7447966.8000000             0.00000740       
  2 1115318.2000000             0.00005739       
  3 253842.6500000              0.00030190       
  4  71915.2850000              0.00127330       
  5  23470.1810000              0.00460994       
  6   8477.4918000              0.01480236       
  7   3308.3908000              0.04238668       
  8   1372.6054000              0.10631536       
  9    598.2200700              0.21942294       
 10    271.3860200              0.32697184       
 11    126.9779500              0.26576068       
 12     60.2220650              0.10109853       
 13     28.0185820              0.16802391       
 14     13.5175220              0.20042655       
 15      6.3094060              0.04923385       
S   14
  1 1115318.2000000            -0.00000003       
  2 253842.6500000             -0.00000001       
  3  23470.1810000             -0.00000661       
  4   8477.4918000             -0.00005335       
  5   3308.3908000             -0.00046763       
  6   1372.6054000             -0.00277366       
  7    598.2200700             -0.01427179       
  8    271.3860200             -0.05137746       
  9    126.9779500             -0.10859001       
 10     60.2220650              0.00568907       
 11     28.0185820              0.45912941       
 12     13.5175220              0.55867647       
 13      6.3094060              0.13923015       
 14      2.9045340             -0.00092042       
S   14
  1 7447966.8000000             0.00000001       
  2 253842.6500000             -0.00000004       
  3   8477.4918000              0.00000052       
  4   3308.3908000              0.00000322       
  5   1372.6054000              0.00003244       
  6    598.2200700              0.00019678       
  7    271.3860200              0.00121903       
  8    126.9779500              0.00438777       
  9     60.2220650              0.00249005       
 10     28.0185820             -0.08048865       
 11     13.5175220             -0.27204617       
 12      6.3094060              0.07258310       
 13      2.9045340              0.74610549       
 14      1.2875560              0.49435091       
S   15
  1 7447966.8000000             0.00000007       
  2 1115318.2000000            -0.00000004       
  3 253842.6500000             -0.00000009       
  4   3308.3908000             -0.00000358       
  5   1372.6054000             -0.00000367       
  6    598.2200700              0.00003661       
  7    271.3860200              0.00104059       
  8    126.9779500              0.00557838       
  9     60.2220650              0.00463536       
 10     28.0185820             -0.13675848       
 11     13.5175220             -0.48384896       
 12      6.3094060              0.13404429       
 13      2.9045340              1.30770146       
 14      1.2875560              0.66509300       
 15      0.1677320              0.77399467       
S   1
  1      0.3365520              1.0000000        
S   1
  1      0.0710690              1.0000000        
P   9
  1   6979.5982000              0.00045689       
  2   1654.1648000              0.00395615       
  3    536.0286500              0.02131436       
  4    203.5371300              0.08187628       
  5     85.2375300              0.22240500       
  6     37.8419620              0.39067982       
  7     17.4065120              0.35608076       
  8      7.8814920              0.10592478       
  9      3.5332130              0.00113089       
P   9
  1   6979.5982000              0.00000118       
  2    536.0286500             -0.00006994       
  3    203.5371300             -0.00121937       
  4     85.2375300             -0.00725963       
  5     37.8419620             -0.02487722       
  6     17.4065120             -0.00920431       
  7      7.8814920              0.23155412       
  8      3.5332130              0.53687029       
  9      1.5214730              0.40442235       
P   9
  1   6979.5982000              0.00000054       
  2    203.5371300             -0.00022785       
  3     85.2375300             -0.00116713       
  4     37.8419620             -0.00466973       
  5     17.4065120             -0.00106762       
  6      7.8814920              0.03555017       
  7      3.5332130              0.08661539       
  8      1.5214730              0.02986223       
  9      0.1990930              0.75798364       
P   1
  1      0.5627040              1.0000000        
P   1
  1      0.0670310              1.0000000        
D   7
  1    282.2391100              0.0018275        
  2     84.5499570              0.0151545        
  3     32.0736560              0.0660460        
  4     13.4974950              0.1839470        
  5      5.9585500              0.3227872        
  6      2.6107880              0.3729459        
  7      1.1039870              0.2751730        
D   1
  1      0.4240490              1.0000000        
D   1
  1      0.1520000              1.0000000        
F   1
  1      0.3458000              1.0000000        


name: cc-pVTZ(seg-opt)
description: VTZ2P Valence Triple Zeta + Polarization on All Atoms
elt: As
data:
ARSENIC
S   15
  1 8482339.6000000             0.00000680       
  2 1270150.9000000             0.00005280       
  3 289056.9600000              0.00027740       
  4  81879.8490000              0.00117020       
  5  26716.5640000              0.00424225       
  6   9647.5842000              0.01365671       
  7   3764.1195000              0.03934896       
  8   1561.5656000              0.09998182       
  9    680.8146700              0.21243188       
 10    309.2411900              0.33739562       
 11    145.2573600              0.31780963       
 12     69.7390480              0.11854144       
 13     31.7703250             -0.00115394       
 14     15.3917570             -0.01222325       
 15      7.3415260             -0.00383488       
S   14
  1 8482339.6000000             0.00000002       
  2 1270150.9000000            -0.00000002       
  3  26716.5640000             -0.00000665       
  4   9647.5842000             -0.00004641       
  5   3764.1195000             -0.00041659       
  6   1561.5656000             -0.00242107       
  7    680.8146700             -0.01271823       
  8    309.2411900             -0.04643580       
  9    145.2573600             -0.10571369       
 10     69.7390480             -0.01886969       
 11     31.7703250              0.42145361       
 12     15.3917570              0.57684599       
 13      7.3415260              0.16956125       
 14      3.3237160              0.00359968       
S   15
  1 8482339.6000000            -0.00000002       
  2 1270150.9000000            -0.00000003       
  3 289056.9600000             -0.00000004       
  4   9647.5842000             -0.00000096       
  5   3764.1195000             -0.00000087       
  6   1561.5656000             -0.00001384       
  7    680.8146700              0.00001883       
  8    309.2411900              0.00035257       
  9    145.2573600              0.00274213       
 10     69.7390480              0.00305011       
 11     31.7703250             -0.06019926       
 12     15.3917570             -0.25564275       
 13      7.3415260              0.01980290       
 14      3.3237160              0.71569363       
 15      1.4858670              0.52422834       
S   15
  1 8482339.6000000             0.00000003       
  2 1270150.9000000            -0.00000004       
  3 289056.9600000             -0.00000001       
  4   3764.1195000             -0.00000139       
  5   1561.5656000             -0.00001035       
  6    680.8146700             -0.00007234       
  7    309.2411900             -0.00036923       
  8    145.2573600             -0.00131600       
  9     69.7390480             -0.00103221       
 10     31.7703250              0.01961043       
 11     15.3917570              0.07807420       
 12      7.3415260             -0.00507557       
 13      3.3237160             -0.26618958       
 14      1.4858670             -0.42218649       
 15      0.2115000              0.82286594       
S   1
  1      0.4210860              1.0000000        
S   1
  1      0.0889740              1.0000000        
P   9
  1   7423.8614000              0.00045989       
  2   1759.5166000              0.00398225       
  3    570.2291600              0.02146386       
  4    216.5799700              0.08246663       
  5     90.7342520              0.22392290       
  6     40.3087910              0.39218752       
  7     18.5555020              0.35425572       
  8      8.3965430              0.10371914       
  9      3.7673670              0.00077918       
P   9
  1   7423.8614000              0.00000125       
  2    570.2291600             -0.00007059       
  3    216.5799700             -0.00126010       
  4     90.7342520             -0.00747796       
  5     40.3087910             -0.02568253       
  6     18.5555020             -0.00763838       
  7      8.3965430              0.24066580       
  8      3.7673670              0.54498893       
  9      1.6297010              0.39094641       
P   9
  1   7423.8614000             -0.00000014       
  2    216.5799700              0.00004686       
  3     90.7342520              0.00025544       
  4     40.3087910              0.00111677       
  5     18.5555020             -0.00020831       
  6      8.3965430             -0.01529409       
  7      3.7673670             -0.04295202       
  8      1.6297010             -0.05210428       
  9      0.2225030              0.76045650       
P   1
  1      0.5682630              1.0000000        
P   1
  1      0.0804050              1.0000000        
D   7
  1    321.0196100              0.0016840        
  2     96.2493050              0.0141586        
  3     36.6449630              0.0628259        
  4     15.4939650              0.1784993        
  5      6.8911380              0.3209452        
  6      3.0548310              0.3773515        
  7      1.3142410              0.2750231        
D   1
  1      0.5134300              1.0000000        
D   1
  1      0.1877000              1.0000000        
F   1
  1      0.4158000              1.0000000        


name: cc-pVTZ(seg-opt)
description: VTZ2P Valence Triple Zeta + Polarization on All Atoms
elt: Se
data:
SELENIUM
S   15
  1 9563600.0000000             0.00000630       
  2 1432100.0000000             0.00004890       
  3 325910.0000000              0.00025740       
  4  92312.0000000              0.00108610       
  5  30116.0000000              0.00393979       
  6  10872.0000000              0.01270337       
  7   4240.1000000              0.03670892       
  8   1758.4000000              0.09382879       
  9    766.5900000              0.20156259       
 10    348.4300000              0.32729445       
 11    164.0300000              0.32200298       
 12     79.1420000              0.13458083       
 13     35.5240000              0.01864601       
 14     17.3050000              0.01015135       
 15      8.3784000              0.00369398       
S   15
  1 9563600.0000000            -0.00000003       
  2 1432100.0000000             0.00000001       
  3 325910.0000000             -0.00000002       
  4  30116.0000000             -0.00000633       
  5  10872.0000000             -0.00004072       
  6   4240.1000000             -0.00037344       
  7   1758.4000000             -0.00214873       
  8    766.5900000             -0.01147899       
  9    348.4300000             -0.04251374       
 10    164.0300000             -0.10245491       
 11     79.1420000             -0.03653750       
 12     35.5240000              0.38829415       
 13     17.3050000              0.58691452       
 14      8.3784000              0.19742004       
 15      3.7405000              0.00826106       
S   14
  1 9563600.0000000             0.00000001       
  2 1432100.0000000            -0.00000002       
  3  10872.0000000             -0.00000303       
  4   4240.1000000             -0.00002261       
  5   1758.4000000             -0.00016671       
  6    766.5900000             -0.00078872       
  7    348.4300000             -0.00283705       
  8    164.0300000             -0.00481791       
  9     79.1420000              0.00072573       
 10     35.5240000             -0.02308023       
 11     17.3050000             -0.20946856       
 12      8.3784000             -0.00568971       
 13      3.7405000              0.70703055       
 14      1.6890000              0.55976280       
S   15
  1 9563600.0000000             0.00000004       
  2 1432100.0000000            -0.00000006       
  3 325910.0000000             -0.00000004       
  4   4240.1000000              0.00000009       
  5   1758.4000000             -0.00000396       
  6    766.5900000             -0.00002024       
  7    348.4300000             -0.00012587       
  8    164.0300000             -0.00038601       
  9     79.1420000             -0.00046110       
 10     35.5240000              0.00563927       
 11     17.3050000              0.02600202       
 12      8.3784000              0.00376199       
 13      3.7405000             -0.12768051       
 14      1.6890000             -0.34464332       
 15      0.2552000              0.84212156       
S   1
  1      0.5092700              1.0000000        
S   1
  1      0.1065100              1.0000000        
P   9
  1   8004.3000000              0.00045049       
  2   1896.9000000              0.00390485       
  3    614.7100000              0.02109016       
  4    233.5000000              0.08129679       
  5     97.8560000              0.22181651       
  6     43.5140000              0.39084321       
  7     20.0630000              0.35600728       
  8      9.1127000              0.10620681       
  9      4.1063000              0.00114655       
P   9
  1   8004.3000000              0.00000115       
  2    614.7100000             -0.00007294       
  3    233.5000000             -0.00125757       
  4     97.8560000             -0.00756684       
  5     43.5140000             -0.02603015       
  6     20.0630000             -0.00862412       
  7      9.1127000              0.24008483       
  8      4.1063000              0.54864451       
  9      1.7949000              0.38835284       
P   9
  1   8004.3000000             -0.00000043       
  2    233.5000000              0.00021183       
  3     97.8560000              0.00110364       
  4     43.5140000              0.00463024       
  5     20.0630000              0.00020335       
  6      9.1127000             -0.04543565       
  7      4.1063000             -0.12139271       
  8      1.7949000             -0.09666532       
  9      0.2461500              0.75033619       
P   1
  1      0.6243200              1.0000000        
P   1
  1      0.0889170              1.0000000        
D   7
  1    361.8500000              0.0015655        
  2    108.5500000              0.0133262        
  3     41.4330000              0.0601527        
  4     17.5790000              0.1740293        
  5      7.8627000              0.3195690        
  6      3.5180000              0.3812029        
  7      1.5348000              0.2746086        
D   1
  1      0.6081300              1.0000000        
D   1
  1      0.2220000              1.0000000        
F   1
  1      0.4620000              1.0000000        


name: cc-pVTZ(seg-opt)
description: VTZ2P Valence Triple Zeta + Polarization on All Atoms
elt: Br
data:
BROMINE
S   15
  1 10639000.0000000            0.00000590       
  2 1593400.0000000             0.00004610       
  3 362610.0000000              0.00024220       
  4 102700.0000000              0.00102260       
  5  33501.0000000              0.00371114       
  6  12093.0000000              0.01197752       
  7   4715.9000000              0.03468366       
  8   1955.6000000              0.08907219       
  9    852.6100000              0.19317644       
 10    387.6700000              0.31985383       
 11    182.6800000              0.32728824       
 12     88.2450000              0.14810895       
 13     39.2630000              0.02454580       
 14     19.2340000              0.01479702       
 15      9.4057000              0.00631708       
S   15
  1 10639000.0000000           -0.00000005       
  2 1593400.0000000            -0.00000003       
  3 362610.0000000             -0.00000007       
  4  33501.0000000             -0.00000590       
  5  12093.0000000             -0.00003667       
  6   4715.9000000             -0.00034043       
  7   1955.6000000             -0.00195092       
  8    852.6100000             -0.01054246       
  9    387.6700000             -0.03957580       
 10    182.6800000             -0.09950236       
 11     88.2450000             -0.04919614       
 12     39.2630000              0.36053462       
 13     19.2340000              0.59217869       
 14      9.4057000              0.22178153       
 15      4.1601000              0.01266713       
S   15
  1 10639000.0000000           -0.00000006       
  2 1593400.0000000            -0.00000007       
  3 362610.0000000              0.00000006       
  4  12093.0000000             -0.00000365       
  5   4715.9000000             -0.00002348       
  6   1955.6000000             -0.00017889       
  7    852.6100000             -0.00083654       
  8    387.6700000             -0.00315189       
  9    182.6800000             -0.00583710       
 10     88.2450000             -0.00053066       
 11     39.2630000             -0.01452266       
 12     19.2340000             -0.19749527       
 13      9.4057000             -0.03233373       
 14      4.1601000              0.69515763       
 15      1.8995000              0.58634865       
S   15
  1 10639000.0000000            0.00000002       
  2 1593400.0000000            -0.00000006       
  3 362610.0000000             -0.00000002       
  4   4715.9000000             -0.00000225       
  5   1955.6000000             -0.00001550       
  6    852.6100000             -0.00009734       
  7    387.6700000             -0.00042732       
  8    182.6800000             -0.00135694       
  9     88.2450000             -0.00127446       
 10     39.2630000              0.01243515       
 11     19.2340000              0.05566674       
 12      9.4057000              0.01534391       
 13      4.1601000             -0.20074989       
 14      1.8995000             -0.42740586       
 15      0.3011400              0.86201145       
S   1
  1      0.6047200              1.0000000        
S   1
  1      0.1251500              1.0000000        
P   9
  1   8676.5000000              0.00043569       
  2   2055.9000000              0.00378145       
  3    666.2300000              0.02047825       
  4    253.1000000              0.07928788       
  5    106.1200000              0.21787877       
  6     47.2420000              0.38797206       
  7     21.8250000              0.35947991       
  8      9.9684000              0.11112870       
  9      4.5171000              0.00188585       
P   9
  1   8676.5000000              0.00000107       
  2    666.2300000             -0.00007535       
  3    253.1000000             -0.00123317       
  4    106.1200000             -0.00757393       
  5     47.2420000             -0.02613767       
  6     21.8250000             -0.01088274       
  7      9.9684000              0.23461081       
  8      4.5171000              0.55035624       
  9      1.9982000              0.39215936       
P   9
  1   8676.5000000             -0.00000058       
  2    253.1000000              0.00027989       
  3    106.1200000              0.00147894       
  4     47.2420000              0.00623968       
  5     21.8250000              0.00085353       
  6      9.9684000             -0.05797561       
  7      4.5171000             -0.15922769       
  8      1.9982000             -0.11898101       
  9      0.2814500              0.74578140       
P   1
  1      0.7098800              1.0000000        
P   1
  1      0.1020400              1.0000000        
D   7
  1    403.8300000              0.0014732        
  2    121.1700000              0.0126725        
  3     46.3450000              0.0580451        
  4     19.7210000              0.1705103        
  5      8.8624000              0.3185958        
  6      3.9962000              0.3845023        
  7      1.7636000              0.2737737        
D   1
  1      0.7061900              1.0000000        
D   1
  1      0.2639000              1.0000000        
F   1
  1      0.5515000              1.0000000        


name: cc-pVTZ(seg-opt)
description: VTZ2P Valence Triple Zeta + Polarization on All Atoms
elt: Kr
data:
KRYPTON
S   15
  1 11718113.0000000            0.00000560       
  2 1754604.4000000             0.00004380       
  3 399281.3200000              0.00023050       
  4 113084.5700000              0.00097330       
  5  36885.9250000              0.00353353       
  6  13312.2090000              0.01141569       
  7   5189.9883000              0.03312322       
  8   2151.6597000              0.08539349       
  9    938.0325100              0.18662470       
 10    426.5573200              0.31388400       
 11    201.0666000              0.33149949       
 12     97.0976050              0.15917405       
 13     42.9987240              0.02770660       
 14     21.1770750              0.01603284       
 15     10.4267520              0.00776073       
S   15
  1 11718113.0000000           -0.00000004       
  2 1754604.4000000            -0.00000002       
  3 399281.3200000             -0.00000006       
  4  36885.9250000             -0.00000564       
  5  13312.2090000             -0.00003413       
  6   5189.9883000             -0.00031630       
  7   2151.6597000             -0.00180889       
  8    938.0325100             -0.00984555       
  9    426.5573200             -0.03738963       
 10    201.0666000             -0.09702607       
 11     97.0976050             -0.05842615       
 12     42.9987240              0.33749687       
 13     21.1770750              0.59450348       
 14     10.4267520              0.24272147       
 15      4.5850080              0.01669544       
S   15
  1 11718113.0000000           -0.00000003       
  2 1754604.4000000            -0.00000004       
  3 399281.3200000              0.00000008       
  4  13312.2090000             -0.00000455       
  5   5189.9883000             -0.00003180       
  6   2151.6597000             -0.00023408       
  7    938.0325100             -0.00113587       
  8    426.5573200             -0.00439992       
  9    201.0666000             -0.00930396       
 10     97.0976050             -0.00329561       
 11     42.9987240              0.00080459       
 12     21.1770750             -0.17106401       
 13     10.4267520             -0.04616362       
 14      4.5850080              0.68590529       
 15      2.1176030              0.60868959       
S   15
  1 11718113.0000000            0.00000003       
  2 1754604.4000000            -0.00000006       
  3 399281.3200000             -0.00000001       
  4   5189.9883000              0.00000253       
  5   2151.6597000              0.00001584       
  6    938.0325100              0.00009174       
  7    426.5573200              0.00030496       
  8    201.0666000              0.00057276       
  9     97.0976050             -0.00027796       
 10     42.9987240              0.00457871       
 11     21.1770750              0.04159687       
 12     10.4267520              0.01678524       
 13      4.5850080             -0.19636462       
 14      2.1176030             -0.44405111       
 15      0.3492250              0.87819746       
S   1
  1      0.7070570              1.0000000        
S   1
  1      0.1448210              1.0000000        
P   9
  1   9366.3090000              0.00042309       
  2   2219.5543000              0.00367424       
  3    719.4528800              0.01993124       
  4    273.4644600              0.07742638       
  5    114.7522500              0.21406906       
  6     51.1555690              0.38496619       
  7     23.6826760              0.36268713       
  8     10.8754840              0.11606199       
  9      4.9551310              0.00267795       
P   9
  1   9366.3090000              0.00000102       
  2    719.4528800             -0.00007760       
  3    273.4644600             -0.00121053       
  4    114.7522500             -0.00757495       
  5     51.1555690             -0.02622578       
  6     23.6826760             -0.01308509       
  7     10.8754840              0.22917328       
  8      4.9551310              0.55180439       
  9      2.2172670              0.39629549       
P   9
  1   9366.3090000             -0.00000064       
  2    273.4644600              0.00030767       
  3    114.7522500              0.00164165       
  4     51.1555690              0.00700281       
  5     23.6826760              0.00148459       
  6     10.8754840             -0.06281498       
  7      4.9551310             -0.17880706       
  8      2.2172670             -0.13053072       
  9      0.3221540              0.74352850       
P   1
  1      0.8064100              1.0000000        
P   1
  1      0.1176190              1.0000000        
D   7
  1    446.1613300              0.0014044        
  2    133.9647700              0.0121715        
  3     51.3459070              0.0563919        
  4     21.9169060              0.1676430        
  5      9.8937250              0.3177368        
  6      4.4925270              0.3872647        
  7      2.0022930              0.2728006        
D   1
  1      0.8084090              1.0000000        
D   1
  1      0.3006000              1.0000000        
F   1
  1      0.6622000              1.0000000        


name: cc-pVTZ+
description: cc-pVTZ basis set augmented with diffuse functions from 6-31+G basis set.
elt: S
data:
SULFUR
S   15
  1 374100.0000000              0.542140D-04     
  2  56050.0000000              0.420855D-03     
  3  12760.0000000              0.220698D-02     
  4   3615.0000000              0.919258D-02     
  5   1183.0000000              0.321123D-01     
  6    428.8000000              0.946683D-01     
  7    167.8000000              0.223630D+00     
  8     69.4700000              0.374393D+00     
  9     29.8400000              0.329108D+00     
 10     12.7200000              0.847038D-01     
 11      5.2440000              0.440851D-03     
 12      2.2190000              0.164827D-02     
 13      0.7767000             -0.622332D-03     
 14      0.3490000              0.301306D-03     
 15      0.1322000             -0.841290D-04     
S   15
  1 374100.0000000             -0.149837D-04     
  2  56050.0000000             -0.116198D-03     
  3  12760.0000000             -0.611583D-03     
  4   3615.0000000             -0.255370D-02     
  5   1183.0000000             -0.908708D-02     
  6    428.8000000             -0.277045D-01     
  7    167.8000000             -0.720020D-01     
  8     69.4700000             -0.146439D+00     
  9     29.8400000             -0.195150D+00     
 10     12.7200000              0.819193D-02     
 11      5.2440000              0.516601D+00     
 12      2.2190000              0.542178D+00     
 13      0.7767000              0.688430D-01     
 14      0.3490000             -0.918072D-02     
 15      0.1322000              0.226832D-02     
S   15
  1 374100.0000000              0.435066D-05     
  2  56050.0000000              0.337140D-04     
  3  12760.0000000              0.177674D-03     
  4   3615.0000000              0.741116D-03     
  5   1183.0000000              0.264591D-02     
  6    428.8000000              0.807487D-02     
  7    167.8000000              0.212276D-01     
  8     69.4700000              0.438323D-01     
  9     29.8400000              0.612716D-01     
 10     12.7200000             -0.361510D-02     
 11      5.2440000             -0.204510D+00     
 12      2.2190000             -0.381871D+00     
 13      0.7767000              0.826844D-01     
 14      0.3490000              0.714147D+00     
 15      0.1322000              0.393791D+00     
S   1
  1      0.7767000              1.0000000        
S   1
  1      0.1322000              1.0000000        
P   9
  1    574.4000000              0.242264D-02     
  2    135.8000000              0.192796D-01     
  3     43.1900000              0.885401D-01     
  4     15.8700000              0.254654D+00     
  5      6.2080000              0.433984D+00     
  6      2.4830000              0.354953D+00     
  7      0.8688000              0.618941D-01     
  8      0.3229000             -0.502977D-02     
  9      0.1098000              0.209813D-02     
P   9
  1    574.4000000             -0.620102D-03     
  2    135.8000000             -0.493882D-02     
  3     43.1900000             -0.232647D-01     
  4     15.8700000             -0.685195D-01     
  5      6.2080000             -0.123896D+00     
  6      2.4830000             -0.969499D-01     
  7      0.8688000              0.228215D+00     
  8      0.3229000              0.569394D+00     
  9      0.1098000              0.366302D+00     
P   1
  1      0.8688000              1.0000000        
P   1
  1      0.1098000              1.0000000        
L   1
  1      0.0405000              1.0000000              1.0000000        
D   1
  1      0.2690000              1.0000000        
D   1
  1      0.8190000              1.0000000        
F   1
  1      0.5570000              1.0000000        


name: cc-pVTZ+
description: cc-pVTZ basis set augmented with diffuse functions from 6-31+G basis set.
elt: Cl
data:
CHLORINE
S   15
  1 456100.0000000              0.492970D-04     
  2  68330.0000000              0.383029D-03     
  3  15550.0000000              0.200854D-02     
  4   4405.0000000              0.838558D-02     
  5   1439.0000000              0.294703D-01     
  6    520.4000000              0.878325D-01     
  7    203.1000000              0.211473D+00     
  8     83.9600000              0.365364D+00     
  9     36.2000000              0.340884D+00     
 10     15.8300000              0.102133D+00     
 11      6.3340000              0.311675D-02     
 12      2.6940000              0.105751D-02     
 13      0.9768000             -0.378000D-03     
 14      0.4313000              0.156136D-03     
 15      0.1625000             -0.514126D-04     
S   15
  1 456100.0000000             -0.138304D-04     
  2  68330.0000000             -0.107279D-03     
  3  15550.0000000             -0.565083D-03     
  4   4405.0000000             -0.236135D-02     
  5   1439.0000000             -0.845886D-02     
  6    520.4000000             -0.259638D-01     
  7    203.1000000             -0.686362D-01     
  8     83.9600000             -0.141874D+00     
  9     36.2000000             -0.199319D+00     
 10     15.8300000             -0.195662D-01     
 11      6.3340000              0.499741D+00     
 12      2.6940000              0.563736D+00     
 13      0.9768000              0.790325D-01     
 14      0.4313000             -0.835091D-02     
 15      0.1625000              0.232456D-02     
S   15
  1 456100.0000000              0.418546D-05     
  2  68330.0000000              0.324395D-04     
  3  15550.0000000              0.171105D-03     
  4   4405.0000000              0.714176D-03     
  5   1439.0000000              0.256705D-02     
  6    520.4000000              0.788552D-02     
  7    203.1000000              0.210867D-01     
  8     83.9600000              0.442264D-01     
  9     36.2000000              0.651670D-01     
 10     15.8300000              0.603012D-02     
 11      6.3340000             -0.206495D+00     
 12      2.6940000             -0.405871D+00     
 13      0.9768000              0.759558D-01     
 14      0.4313000              0.725661D+00     
 15      0.1625000              0.394423D+00     
S   1
  1      0.9768000              1.0000000        
S   1
  1      0.1625000              1.0000000        
P   9
  1    663.3000000              0.240448D-02     
  2    156.8000000              0.192148D-01     
  3     49.9800000              0.885097D-01     
  4     18.4200000              0.256020D+00     
  5      7.2400000              0.436927D+00     
  6      2.9220000              0.350334D+00     
  7      1.0220000              0.585495D-01     
  8      0.3818000             -0.458423D-02     
  9      0.1301000              0.226970D-02     
P   9
  1    663.3000000             -0.652145D-03     
  2    156.8000000             -0.519445D-02     
  3     49.9800000             -0.246938D-01     
  4     18.4200000             -0.728167D-01     
  5      7.2400000             -0.134030D+00     
  6      2.9220000             -0.947742D-01     
  7      1.0220000              0.262289D+00     
  8      0.3818000              0.564667D+00     
  9      0.1301000              0.341250D+00     
P   1
  1      1.0220000              1.0000000        
P   1
  1      0.1301000              1.0000000        
L   1
  1      0.0483000              1.0000000              1.0000000        
D   1
  1      1.0460000              1.0000000        
D   1
  1      0.3440000              1.0000000        
F   1
  1      0.7060000              1.0000000        


name: cc-pVTZ-DK
description: VTZ2P Douglas-Kroll Valence Triple Zeta + Polarization
elt: H
data:
HYDROGEN
S   3
  1     33.8700000              0.0060773        
  2      5.0950000              0.0453176        
  3      1.1590000              0.2028364        
S   1
  1      0.3258000              1.0000000        
S   1
  1      0.1027000              1.0000000        
P   1
  1      1.4070000              1.0000000        
P   1
  1      0.3880000              1.0000000        
D   1
  1      1.0570000              1.0000000        


name: cc-pVTZ-DK
description: VTZ2P Douglas-Kroll Valence Triple Zeta + Polarization
elt: He
data:
HELIUM
S   4
  1    234.0000000              0.0026127        
  2     35.1600000              0.0195588        
  3      7.9890000              0.0910316        
  4      2.2120000              0.2720643        
S   1
  1      0.6669000              1.0000000        
S   1
  1      0.2089000              1.0000000        
P   1
  1      3.0440000              1.0000000        
P   1
  1      0.7580000              1.0000000        
D   1
  1      1.9650000              1.0000000        


name: cc-pVTZ-DK
description: VTZ2P Douglas-Kroll Valence Triple Zeta + Polarization
elt: Li
data:
LITHIUM
S   9
  1   5988.0000000              0.0001590        
  2    898.9000000              0.0010523        
  3    205.9000000              0.0053137        
  4     59.2400000              0.0209831        
  5     19.8700000              0.0664049        
  6      7.4060000              0.1658220        
  7      2.9300000              0.3150359        
  8      1.1890000              0.3934631        
  9      0.4798000              0.1908184        
S   9
  1   5988.0000000             -0.0000248        
  2    898.9000000             -0.0001652        
  3    205.9000000             -0.0008272        
  4     59.2400000             -0.0033354        
  5     19.8700000             -0.0105312        
  6      7.4060000             -0.0281109        
  7      2.9300000             -0.0559366        
  8      1.1890000             -0.0992549        
  9      0.4798000             -0.1121221        
S   1
  1      0.0750900              1.0000000        
S   1
  1      0.0283200              1.0000000        
P   3
  1      3.2660000              0.0086331        
  2      0.6511000              0.0475337        
  3      0.1696000              0.2097708        
P   1
  1      0.0557800              1.0000000        
P   1
  1      0.0205000              1.0000000        
D   1
  1      0.1874000              1.0000000        
D   1
  1      0.0801000              1.0000000        
F   1
  1      0.1829000              1.0000000        


name: cc-pVTZ-DK
description: VTZ2P Douglas-Kroll Valence Triple Zeta + Polarization
elt: Be
data:
BERYLLIUM
S   9
  1   6863.0000000              0.0002897        
  2   1030.0000000              0.0018847        
  3    234.7000000              0.0095429        
  4     66.5600000              0.0380762        
  5     21.6900000              0.1200942        
  6      7.7340000              0.2822115        
  7      2.9160000              0.4273153        
  8      1.1300000              0.2661276        
  9      0.1101000             -0.0072870        
S   9
  1   6863.0000000             -0.0000529        
  2   1030.0000000             -0.0003433        
  3    234.7000000             -0.0017537        
  4     66.5600000             -0.0070364        
  5     21.6900000             -0.0231606        
  6      7.7340000             -0.0581609        
  7      2.9160000             -0.1145859        
  8      1.1300000             -0.1357835        
  9      0.1101000              0.5773731        
S   1
  1      0.2577000              1.0000000        
S   1
  1      0.0440900              1.0000000        
P   3
  1      7.4360000              0.0107482        
  2      1.5770000              0.0628561        
  3      0.4352000              0.2481982        
P   1
  1      0.1438000              1.0000000        
P   1
  1      0.0499400              1.0000000        
D   1
  1      0.3480000              1.0000000        
D   1
  1      0.1803000              1.0000000        
F   1
  1      0.3250000              1.0000000        


name: cc-pVTZ-DK
description: VTZ2P Douglas-Kroll Valence Triple Zeta + Polarization
elt: B
data:
BORON
S   8
  1   5473.0000000              0.0006618        
  2    820.9000000              0.0044078        
  3    186.8000000              0.0221381        
  4     52.8300000              0.0846659        
  5     17.0800000              0.2387201        
  6      5.9990000              0.4349692        
  7      2.2080000              0.3416948        
  8      0.2415000             -0.0095262        
S   8
  1   5473.0000000             -0.0001338        
  2    820.9000000             -0.0008927        
  3    186.8000000             -0.0045253        
  4     52.8300000             -0.0177437        
  5     17.0800000             -0.0537048        
  6      5.9990000             -0.1190598        
  7      2.2080000             -0.1656727        
  8      0.2415000              0.5959798        
S   1
  1      0.5879000              1.0000000        
S   1
  1      0.0861000              1.0000000        
P   3
  1     12.0500000              0.0131399        
  2      2.6130000              0.0799035        
  3      0.7475000              0.2772102        
P   1
  1      0.2385000              1.0000000        
P   1
  1      0.0769800              1.0000000        
D   1
  1      0.6610000              1.0000000        
D   1
  1      0.1990000              1.0000000        
F   1
  1      0.4900000              1.0000000        


name: cc-pVTZ-DK
description: VTZ2P Douglas-Kroll Valence Triple Zeta + Polarization
elt: C
data:
CARBON
S   8
  1   8236.0000000              0.0006772        
  2   1235.0000000              0.0042785        
  3    280.8000000              0.0213576        
  4     79.2700000              0.0821858        
  5     25.5900000              0.2350715        
  6      8.9970000              0.4342613        
  7      3.3190000              0.3457333        
  8      0.3643000             -0.0089547        
S   8
  1   8236.0000000             -0.0001445        
  2   1235.0000000             -0.0009156        
  3    280.8000000             -0.0046031        
  4     79.2700000             -0.0182284        
  5     25.5900000             -0.0558690        
  6      8.9970000             -0.1269889        
  7      3.3190000             -0.1701050        
  8      0.3643000              0.5986760        
S   1
  1      0.9059000              1.0000000        
S   1
  1      0.1285000              1.0000000        
P   3
  1     18.7100000              0.0140738        
  2      4.1330000              0.0869016        
  3      1.2000000              0.2902016        
P   1
  1      0.3827000              1.0000000        
P   1
  1      0.1209000              1.0000000        
D   1
  1      1.0970000              1.0000000        
D   1
  1      0.3180000              1.0000000        
F   1
  1      0.7610000              1.0000000        


name: cc-pVTZ-DK
description: VTZ2P Douglas-Kroll Valence Triple Zeta + Polarization
elt: N
data:
NITROGEN
S   8
  1  11420.0000000              0.0007127        
  2   1712.0000000              0.0042813        
  3    389.3000000              0.0211421        
  4    110.0000000              0.0811887        
  5     35.5700000              0.2334368        
  6     12.5400000              0.4333154        
  7      4.6440000              0.3469116        
  8      0.5118000             -0.0084838        
S   8
  1  11420.0000000             -0.0001573        
  2   1712.0000000             -0.0009485        
  3    389.3000000             -0.0047127        
  4    110.0000000             -0.0186658        
  5     35.5700000             -0.0575021        
  6     12.5400000             -0.1322177        
  7      4.6440000             -0.1721464        
  8      0.5118000              0.5999371        
S   1
  1      1.2930000              1.0000000        
S   1
  1      0.1787000              1.0000000        
P   3
  1     26.6300000              0.0147368        
  2      5.9480000              0.0918329        
  3      1.7420000              0.2986885        
P   1
  1      0.5550000              1.0000000        
P   1
  1      0.1725000              1.0000000        
D   1
  1      1.6540000              1.0000000        
D   1
  1      0.4690000              1.0000000        
F   1
  1      1.0930000              1.0000000        


name: cc-pVTZ-DK
description: VTZ2P Douglas-Kroll Valence Triple Zeta + Polarization
elt: O
data:
OXYGEN
S   8
  1  15330.0000000              0.0007428        
  2   2299.0000000              0.0042405        
  3    522.4000000              0.0207194        
  4    147.3000000              0.0797931        
  5     47.5500000              0.2311816        
  6     16.7600000              0.4328845        
  7      6.2070000              0.3495073        
  8      0.6882000             -0.0081229        
S   8
  1  15330.0000000             -0.0001688        
  2   2299.0000000             -0.0009679        
  3    522.4000000             -0.0047549        
  4    147.3000000             -0.0189126        
  5     47.5500000             -0.0586914        
  6     16.7600000             -0.1366626        
  7      6.2070000             -0.1752353        
  8      0.6882000              0.6033925        
S   1
  1      1.7520000              1.0000000        
S   1
  1      0.2384000              1.0000000        
P   3
  1     34.4600000              0.0160267        
  2      7.7490000              0.0998490        
  3      2.2800000              0.3105086        
P   1
  1      0.7156000              1.0000000        
P   1
  1      0.2140000              1.0000000        
D   1
  1      2.3140000              1.0000000        
D   1
  1      0.6450000              1.0000000        
F   1
  1      1.4280000              1.0000000        


name: cc-pVTZ-DK
description: VTZ2P Douglas-Kroll Valence Triple Zeta + Polarization
elt: F
data:
FLUORINE
S   8
  1  19500.0000000              0.0007913        
  2   2923.0000000              0.0043210        
  3    664.5000000              0.0208039        
  4    187.5000000              0.0797933        
  5     60.6200000              0.2310785        
  6     21.4200000              0.4325780        
  7      7.9500000              0.3489945        
  8      0.8815000             -0.0078525        
S   8
  1  19500.0000000             -0.0001835        
  2   2923.0000000             -0.0010071        
  3    664.5000000             -0.0048719        
  4    187.5000000             -0.0193323        
  5     60.6200000             -0.0599582        
  6     21.4200000             -0.1402744        
  7      7.9500000             -0.1761052        
  8      0.8815000              0.6049737        
S   1
  1      2.2570000              1.0000000        
S   1
  1      0.3041000              1.0000000        
P   3
  1     43.8800000              0.0168000        
  2      9.9260000              0.1046299        
  3      2.9300000              0.3172873        
P   1
  1      0.9132000              1.0000000        
P   1
  1      0.2672000              1.0000000        
D   1
  1      3.1070000              1.0000000        
D   1
  1      0.8550000              1.0000000        
F   1
  1      1.9170000              1.0000000        


name: cc-pVTZ-DK
description: VTZ2P Douglas-Kroll Valence Triple Zeta + Polarization
elt: Ne
data:
NEON
S   8
  1  24350.0000000              0.0008358        
  2   3650.0000000              0.0043745        
  3    829.6000000              0.0207423        
  4    234.0000000              0.0793936        
  5     75.6100000              0.2304832        
  6     26.7300000              0.4323621        
  7      9.9270000              0.3494274        
  8      1.1020000             -0.0075967        
S   8
  1  24350.0000000             -0.0001967        
  2   3650.0000000             -0.0010354        
  3    829.6000000             -0.0049308        
  4    234.0000000             -0.0195454        
  5     75.6100000             -0.0607585        
  6     26.7300000             -0.1428460        
  7      9.9270000             -0.1768425        
  8      1.1020000              0.6057343        
S   1
  1      2.8360000              1.0000000        
S   1
  1      0.3782000              1.0000000        
P   3
  1     54.7000000              0.0173278        
  2     12.4300000              0.1078707        
  3      3.6790000              0.3217252        
P   1
  1      1.1430000              1.0000000        
P   1
  1      0.3300000              1.0000000        
D   1
  1      4.0140000              1.0000000        
D   1
  1      1.0960000              1.0000000        
F   1
  1      2.5440000              1.0000000        


name: cc-pVTZ-DK
description: VTZ2P Douglas-Kroll Valence Triple Zeta + Polarization
elt: Na
data:
SODIUM
S   14
  1 423000.0000000              0.0000890        
  2  63340.0000000              0.0003055        
  3  14410.0000000              0.0010495        
  4   4077.0000000              0.0035692        
  5   1328.0000000              0.0118412        
  6    478.6000000              0.0361339        
  7    186.2000000              0.0969663        
  8     76.9200000              0.2144124        
  9     33.3200000              0.3483759        
 10     15.0000000              0.3233780        
 11      6.8690000              0.1120091        
 12      2.6830000              0.0070223        
 13      1.1090000              0.0005966        
 14      0.0601500             -0.0000050        
S   14
  1 423000.0000000             -0.0000218        
  2  63340.0000000             -0.0000749        
  3  14410.0000000             -0.0002571        
  4   4077.0000000             -0.0008795        
  5   1328.0000000             -0.0029209        
  6    478.6000000             -0.0091129        
  7    186.2000000             -0.0251502        
  8     76.9200000             -0.0610296        
  9     33.3200000             -0.1167017        
 10     15.0000000             -0.1621266        
 11      6.8690000             -0.0422846        
 12      2.6830000              0.3395466        
 13      1.1090000              0.5607534        
 14      0.0601500              0.0040000        
S   14
  1 423000.0000000              0.0000033        
  2  63340.0000000              0.0000113        
  3  14410.0000000              0.0000387        
  4   4077.0000000              0.0001320        
  5   1328.0000000              0.0004406        
  6    478.6000000              0.0013683        
  7    186.2000000              0.0038100        
  8     76.9200000              0.0092122        
  9     33.3200000              0.0180161        
 10     15.0000000              0.0251437        
 11      6.8690000              0.0072823        
 12      2.6830000             -0.0616094        
 13      1.1090000             -0.1163041        
 14      0.0601500              0.6290489        
S   1
  1      0.4540000              1.0000000        
S   1
  1      0.0238200              1.0000000        
P   8
  1    243.3000000              0.0023360        
  2     57.3900000              0.0175708        
  3     18.1000000              0.0776875        
  4      6.5750000              0.2192534        
  5      2.5210000              0.3784065        
  6      0.9607000              0.3946998        
  7      0.3512000              0.1604432        
  8      0.0982700              0.0023645        
P   8
  1    243.3000000             -0.0002316        
  2     57.3900000             -0.0017602        
  3     18.1000000             -0.0077836        
  4      6.5750000             -0.0225358        
  5      2.5210000             -0.0384212        
  6      0.9607000             -0.0450032        
  7      0.3512000             -0.0191964        
  8      0.0982700              0.1827235        
P   1
  1      0.0373400              1.0000000        
P   1
  1      0.0150000              1.0000000        
D   1
  1      0.1367000              1.0000000        
D   1
  1      0.0636000              1.0000000        
F   1
  1      0.1397000              1.0000000        


name: cc-pVTZ-DK
description: VTZ2P Douglas-Kroll Valence Triple Zeta + Polarization
elt: Mg
data:
MAGNESIUM
S   13
  1 164900.0000000              0.0002422        
  2  24710.0000000              0.0009215        
  3   5628.0000000              0.0035555        
  4   1596.0000000              0.0131266        
  5    521.0000000              0.0438767        
  6    188.0000000              0.1242674        
  7     73.0100000              0.2754606        
  8     29.9000000              0.4008546        
  9     12.5400000              0.2632257        
 10      4.3060000              0.0330029        
 11      1.8260000             -0.0043711        
 12      0.7417000              0.0020420        
 13      0.0761200              0.0007009        
S   13
  1 164900.0000000             -0.0000614        
  2  24710.0000000             -0.0002342        
  3   5628.0000000             -0.0009030        
  4   1596.0000000             -0.0033736        
  5    521.0000000             -0.0114009        
  6    188.0000000             -0.0341221        
  7     73.0100000             -0.0831202        
  8     29.9000000             -0.1595571        
  9     12.5400000             -0.1513356        
 10      4.3060000              0.1935020        
 11      1.8260000              0.5798608        
 12      0.7417000              0.3696639        
 13      0.0761200             -0.0115917        
S   13
  1 164900.0000000              0.0000118        
  2  24710.0000000              0.0000451        
  3   5628.0000000              0.0001742        
  4   1596.0000000              0.0006501        
  5    521.0000000              0.0022034        
  6    188.0000000              0.0066013        
  7     73.0100000              0.0162441        
  8     29.9000000              0.0316427        
  9     12.5400000              0.0312732        
 10      4.3060000             -0.0444516        
 11      1.8260000             -0.1516479        
 12      0.7417000             -0.2163940        
 13      0.0761200              0.5453010        
S   1
  1      0.1457000              1.0000000        
S   1
  1      0.0331000              1.0000000        
P   8
  1    316.9000000              0.0021856        
  2     74.8600000              0.0164985        
  3     23.7200000              0.0742262        
  4      8.6690000              0.2145337        
  5      3.3630000              0.3820475        
  6      1.3100000              0.3978887        
  7      0.4911000              0.1528155        
  8      0.2364000             -0.0043175        
P   8
  1    316.9000000             -0.0003462        
  2     74.8600000             -0.0026128        
  3     23.7200000             -0.0119341        
  4      8.6690000             -0.0349344        
  5      3.3630000             -0.0637955        
  6      1.3100000             -0.0700523        
  7      0.4911000             -0.0382229        
  8      0.2364000              0.1775221        
P   1
  1      0.0873300              1.0000000        
P   1
  1      0.0323700              1.0000000        
D   1
  1      0.1260000              1.0000000        
D   1
  1      0.2940000              1.0000000        
F   1
  1      0.2520000              1.0000000        


name: cc-pVTZ-DK
description: VTZ2P Douglas-Kroll Valence Triple Zeta + Polarization
elt: Al
data:
ALUMINUM
S   13
  1 205500.0000000              0.0002486        
  2  30780.0000000              0.0009183        
  3   7006.0000000              0.0034388        
  4   1985.0000000              0.0124309        
  5    649.1000000              0.0411372        
  6    235.0000000              0.1165198        
  7     91.6200000              0.2617217        
  8     37.6700000              0.3953985        
  9     15.9100000              0.2827977        
 10      5.8500000              0.0440595        
 11      2.5420000             -0.0048440        
 12      1.0570000              0.0025850        
 13      0.1455000              0.0007132        
S   13
  1 205500.0000000             -0.0000649        
  2  30780.0000000             -0.0002401        
  3   7006.0000000             -0.0009000        
  4   1985.0000000             -0.0032826        
  5    649.1000000             -0.0110170        
  6    235.0000000             -0.0327430        
  7     91.6200000             -0.0809702        
  8     37.6700000             -0.1571116        
  9     15.9100000             -0.1667395        
 10      5.8500000              0.1299949        
 11      2.5420000              0.5619410        
 12      1.0570000              0.4337633        
 13      0.1455000             -0.0111008        
S   13
  1 205500.0000000              0.0000150        
  2  30780.0000000              0.0000554        
  3   7006.0000000              0.0002080        
  4   1985.0000000              0.0007579        
  5    649.1000000              0.0025517        
  6    235.0000000              0.0075909        
  7     91.6200000              0.0189792        
  8     37.6700000              0.0373779        
  9     15.9100000              0.0415027        
 10      5.8500000             -0.0362454        
 11      2.5420000             -0.1759455        
 12      1.0570000             -0.2747958        
 13      0.1455000              0.6521109        
S   1
  1      0.2931000              1.0000000        
S   1
  1      0.0565000              1.0000000        
P   7
  1    444.4000000              0.0017470        
  2    105.1000000              0.0133061        
  3     33.4700000              0.0616623        
  4     12.3300000              0.1882350        
  5      4.8690000              0.3604280        
  6      1.9610000              0.4080722        
  7      0.1888000              0.0097994        
P   7
  1    444.4000000             -0.0003076        
  2    105.1000000             -0.0024646        
  3     33.4700000             -0.0109375        
  4     12.3300000             -0.0364711        
  5      4.8690000             -0.0640394        
  6      1.9610000             -0.0970652        
  7      0.1888000              0.5027104        
P   1
  1      0.7834000              1.0000000        
P   1
  1      0.0555700              1.0000000        
D   1
  1      0.1090000              1.0000000        
D   1
  1      0.3330000              1.0000000        
F   1
  1      0.2440000              1.0000000        


name: cc-pVTZ-DK
description: VTZ2P Douglas-Kroll Valence Triple Zeta + Polarization
elt: Si
data:
SILICON
S   13
  1 254900.0000000              0.0002529        
  2  38190.0000000              0.0009090        
  3   8690.0000000              0.0033025        
  4   2462.0000000              0.0116759        
  5    804.8000000              0.0383795        
  6    291.3000000              0.1092047        
  7    113.6000000              0.2490127        
  8     46.7500000              0.3899473        
  9     19.8200000              0.2998830        
 10      7.7080000              0.0553498        
 11      3.3400000             -0.0039710        
 12      1.4020000              0.0025494        
 13      0.2070000              0.0006001        
S   13
  1 254900.0000000             -0.0000676        
  2  38190.0000000             -0.0002434        
  3   8690.0000000             -0.0008863        
  4   2462.0000000             -0.0031552        
  5    804.8000000             -0.0105363        
  6    291.3000000             -0.0312848        
  7    113.6000000             -0.0785245        
  8     46.7500000             -0.1546506        
  9     19.8200000             -0.1786818        
 10      7.7080000              0.0834192        
 11      3.3400000              0.5485415        
 12      1.4020000              0.4767448        
 13      0.2070000             -0.0103212        
S   13
  1 254900.0000000              0.0000173        
  2  38190.0000000              0.0000624        
  3   8690.0000000              0.0002272        
  4   2462.0000000              0.0008085        
  5    804.8000000              0.0027076        
  6    291.3000000              0.0080506        
  7    113.6000000              0.0204261        
  8     46.7500000              0.0408728        
  9     19.8200000              0.0494300        
 10      7.7080000             -0.0259952        
 11      3.3400000             -0.1915191        
 12      1.4020000             -0.3167253        
 13      0.2070000              0.6807332        
S   1
  1      0.4387000              1.0000000        
S   1
  1      0.0794400              1.0000000        
P   7
  1    481.5000000              0.0020745        
  2    113.9000000              0.0156644        
  3     36.2300000              0.0719518        
  4     13.3400000              0.2134897        
  5      5.2520000              0.3902729        
  6      2.1200000              0.3932155        
  7      0.2528000              0.0039858        
P   7
  1    481.5000000             -0.0004381        
  2    113.9000000             -0.0034247        
  3     36.2300000             -0.0154023        
  4     13.3400000             -0.0489931        
  5      5.2520000             -0.0854192        
  6      2.1200000             -0.1119097        
  7      0.2528000              0.5513707        
P   1
  1      0.8561000              1.0000000        
P   1
  1      0.0788900              1.0000000        
D   1
  1      0.1590000              1.0000000        
D   1
  1      0.4810000              1.0000000        
F   1
  1      0.3360000              1.0000000        


name: cc-pVTZ-DK
description: VTZ2P Douglas-Kroll Valence Triple Zeta + Polarization
elt: P
data:
PHOSPHOROUS
S   13
  1 312400.0000000              0.0002571        
  2  46800.0000000              0.0009020        
  3  10650.0000000              0.0031853        
  4   3018.0000000              0.0110055        
  5    986.8000000              0.0358359        
  6    357.4000000              0.1021861        
  7    139.6000000              0.2357207        
  8     57.6300000              0.3815204        
  9     24.6000000              0.3156027        
 10     10.1200000              0.0699621        
 11      4.2830000             -0.0017854        
 12      1.8050000              0.0021312        
 13      0.2782000              0.0004255        
S   13
  1 312400.0000000             -0.0000702        
  2  46800.0000000             -0.0002465        
  3  10650.0000000             -0.0008732        
  4   3018.0000000             -0.0030327        
  5    986.8000000             -0.0100473        
  6    357.4000000             -0.0297436        
  7    139.6000000             -0.0754666        
  8     57.6300000             -0.1504688        
  9     24.6000000             -0.1878391        
 10     10.1200000              0.0403987        
 11      4.2830000              0.5308169        
 12      1.8050000              0.5151652        
 13      0.2782000             -0.0089109        
S   13
  1 312400.0000000             -0.0000193        
  2  46800.0000000             -0.0000677        
  3  10650.0000000             -0.0002401        
  4   3018.0000000             -0.0008334        
  5    986.8000000             -0.0027699        
  6    357.4000000             -0.0082076        
  7    139.6000000             -0.0210652        
  8     57.6300000             -0.0426310        
  9     24.6000000             -0.0558250        
 10     10.1200000              0.0140284        
 11      4.2830000              0.1981170        
 12      1.8050000              0.3517465        
 13      0.2782000             -0.7008474        
S   1
  1      0.6158000              1.0000000        
S   1
  1      0.1055000              1.0000000        
P   7
  1    504.9000000              0.0025366        
  2    119.4000000              0.0189426        
  3     37.9600000              0.0856706        
  4     13.9500000              0.2451121        
  5      5.4570000              0.4225698        
  6      2.1770000              0.3677769        
  7      0.2877000             -0.0037587        
P   7
  1    504.9000000             -0.0006028        
  2    119.4000000             -0.0045552        
  3     37.9600000             -0.0208047        
  4     13.9500000             -0.0618635        
  5      5.4570000             -0.1088145        
  6      2.1770000             -0.1052149        
  7      0.2877000              0.5764654        
P   1
  1      0.8010000              1.0000000        
P   1
  1      0.0971400              1.0000000        
D   1
  1      0.2160000              1.0000000        
D   1
  1      0.6520000              1.0000000        
F   1
  1      0.4520000              1.0000000        


name: cc-pVTZ-DK
description: VTZ2P Douglas-Kroll Valence Triple Zeta + Polarization
elt: S
data:
SULFUR
S   13
  1 374100.0000000              0.0002638        
  2  56050.0000000              0.0009062        
  3  12760.0000000              0.0031247        
  4   3615.0000000              0.0105603        
  5   1183.0000000              0.0340035        
  6    428.8000000              0.0969219        
  7    167.8000000              0.2252582        
  8     69.4700000              0.3735512        
  9     29.8400000              0.3262878        
 10     12.7200000              0.0836129        
 11      5.2440000              0.0004429        
 12      2.2190000              0.0016215        
 13      0.3490000              0.0002957        
S   13
  1 374100.0000000             -0.0000733        
  2  56050.0000000             -0.0002521        
  3  12760.0000000             -0.0008725        
  4   3615.0000000             -0.0029604        
  5   1183.0000000             -0.0097096        
  6    428.8000000             -0.0286229        
  7    167.8000000             -0.0731204        
  8     69.4700000             -0.1470961        
  9     29.8400000             -0.1935729        
 10     12.7200000              0.0128266        
 11      5.2440000              0.5194749        
 12      2.2190000              0.5375512        
 13      0.3490000             -0.0088273        
S   13
  1 374100.0000000              0.0000213        
  2  56050.0000000              0.0000732        
  3  12760.0000000              0.0002535        
  4   3615.0000000              0.0008599        
  5   1183.0000000              0.0028283        
  6    428.8000000              0.0083497        
  7    167.8000000              0.0215638        
  8     69.4700000              0.0440714        
  9     29.8400000              0.0607406        
 10     12.7200000             -0.0051710        
 11      5.2440000             -0.2066834        
 12      2.2190000             -0.3796525        
 13      0.3490000              0.7139336        
S   1
  1      0.7767000              1.0000000        
S   1
  1      0.1322000              1.0000000        
P   7
  1    574.4000000              0.0026583        
  2    135.8000000              0.0197601        
  3     43.1900000              0.0893840        
  4     15.8700000              0.2552538        
  5      6.2080000              0.4337250        
  6      2.4830000              0.3541224        
  7      0.3229000             -0.0050047        
P   7
  1    574.4000000             -0.0006804        
  2    135.8000000             -0.0050630        
  3     43.1900000             -0.0234889        
  4     15.8700000             -0.0686526        
  5      6.2080000             -0.1237698        
  6      2.4830000             -0.0963932        
  7      0.3229000              0.5688332        
P   1
  1      0.8688000              1.0000000        
P   1
  1      0.1098000              1.0000000        
D   1
  1      0.2690000              1.0000000        
D   1
  1      0.8190000              1.0000000        
F   1
  1      0.5570000              1.0000000        


name: cc-pVTZ-DK
description: VTZ2P Douglas-Kroll Valence Triple Zeta + Polarization
elt: Cl
data:
CHLORINE
S   13
  1 456100.0000000              0.0002645        
  2  68330.0000000              0.0008905        
  3  15550.0000000              0.0029934        
  4   4405.0000000              0.0098871        
  5   1439.0000000              0.0315606        
  6    520.4000000              0.0903711        
  7    203.1000000              0.2134406        
  8     83.9600000              0.3646772        
  9     36.2000000              0.3377387        
 10     15.8300000              0.1006810        
 11      6.3340000              0.0030732        
 12      2.6940000              0.0010373        
 13      0.4313000              0.0001520        
S   13
  1 456100.0000000             -0.0000747        
  2  68330.0000000             -0.0002515        
  3  15550.0000000             -0.0008492        
  4   4405.0000000             -0.0028128        
  5   1439.0000000             -0.0091519        
  6    520.4000000             -0.0269903        
  7    203.1000000             -0.0699330        
  8     83.9600000             -0.1426906        
  9     36.2000000             -0.1978853        
 10     15.8300000             -0.0143283        
 11      6.3340000              0.5036507        
 12      2.6940000              0.5584234        
 13      0.4313000             -0.0080500        
S   13
  1 456100.0000000              0.0000226        
  2  68330.0000000              0.0000761        
  3  15550.0000000              0.0002572        
  4   4405.0000000              0.0008515        
  5   1439.0000000              0.0027786        
  6    520.4000000              0.0082052        
  7    203.1000000              0.0214933        
  8     83.9600000              0.0445276        
  9     36.2000000              0.0646680        
 10     15.8300000              0.0041911        
 11      6.3340000             -0.2092752        
 12      2.6940000             -0.4033247        
 13      0.4313000              0.7256082        
S   1
  1      0.9768000              1.0000000        
S   1
  1      0.1625000              1.0000000        
P   7
  1    663.3000000              0.0026741        
  2    156.8000000              0.0197715        
  3     49.9800000              0.0894991        
  4     18.4200000              0.2567502        
  5      7.2400000              0.4366374        
  6      2.9220000              0.3493206        
  7      0.3818000             -0.0045545        
P   7
  1    663.3000000             -0.0007253        
  2    156.8000000             -0.0053474        
  3     49.9800000             -0.0249761        
  4     18.4200000             -0.0730005        
  5      7.2400000             -0.1338923        
  6      2.9220000             -0.0940334        
  7      0.3818000              0.5640464        
P   1
  1      1.0220000              1.0000000        
P   1
  1      0.1301000              1.0000000        
D   1
  1      1.0460000              1.0000000        
D   1
  1      0.3440000              1.0000000        
F   1
  1      0.7060000              1.0000000        


name: cc-pVTZ-DK
description: VTZ2P Douglas-Kroll Valence Triple Zeta + Polarization
elt: Ar
data:
ARGON
S   13
  1 545000.0000000              0.0002676        
  2  81640.0000000              0.0008851        
  3  18580.0000000              0.0029115        
  4   5261.0000000              0.0094107        
  5   1717.0000000              0.0297252        
  6    619.9000000              0.0852189        
  7    241.6000000              0.2035465        
  8     99.7900000              0.3562637        
  9     43.1500000              0.3461000        
 10     19.1400000              0.1164162        
 11      7.4880000              0.0055038        
 12      3.2050000              0.0004726        
 13      0.5204000              0.0000270        
S   13
  1 545000.0000000             -0.0000766        
  2  81640.0000000             -0.0002534        
  3  18580.0000000             -0.0008375        
  4   5261.0000000             -0.0027127        
  5   1717.0000000             -0.0087370        
  6    619.9000000             -0.0257215        
  7    241.6000000             -0.0672613        
  8     99.7900000             -0.1389310        
  9     43.1500000             -0.2003327        
 10     19.1400000             -0.0353876        
 11      7.4880000              0.4896428        
 12      3.2050000              0.5732040        
 13      0.5204000             -0.0070177        
S   13
  1 545000.0000000              0.0000239        
  2  81640.0000000              0.0000792        
  3  18580.0000000              0.0002620        
  4   5261.0000000              0.0008483        
  5   1717.0000000              0.0027402        
  6    619.9000000              0.0080774        
  7    241.6000000              0.0213514        
  8     99.7900000              0.0447653        
  9     43.1500000              0.0675613        
 10     19.1400000              0.0119876        
 11      7.4880000             -0.2109174        
 12      3.2050000             -0.4221521        
 13      0.5204000              0.7337362        
S   1
  1      1.1960000              1.0000000        
S   1
  1      0.1954000              1.0000000        
P   7
  1    761.8000000              0.0026746        
  2    180.2000000              0.0196563        
  3     57.5000000              0.0892268        
  4     21.2400000              0.2572532        
  5      8.3880000              0.4383940        
  6      3.4160000              0.3463553        
  7      0.4523000             -0.0052053        
P   7
  1    761.8000000             -0.0007530        
  2    180.2000000             -0.0055091        
  3     57.5000000             -0.0258919        
  4     21.2400000             -0.0759587        
  5      8.3880000             -0.1409826        
  6      3.4160000             -0.0923338        
  7      0.4523000              0.5617501        
P   1
  1      1.2060000              1.0000000        
P   1
  1      0.1545000              1.0000000        
D   1
  1      0.4100000              1.0000000        
D   1
  1      1.2540000              1.0000000        
F   1
  1      0.8900000              1.0000000        


name: cc-pVTZ-DK
description: VTZ2P Douglas-Kroll Valence Triple Zeta + Polarization
elt: Sc
data:
SCANDIUM
S   19
  1 2715278.0000000             0.0001060        
  2 406598.4000000              0.0003170        
  3  92530.0400000              0.0009050        
  4  26207.9200000              0.0024640        
  5   8549.4290000              0.0067800        
  6   3085.9750000              0.0186790        
  7   1203.1720000              0.0494180        
  8    498.4869000              0.1172100        
  9    216.7360000              0.2280410        
 10     97.8747600              0.3098720        
 11     45.2043300              0.2175500        
 12     20.2118700              0.0724860        
 13      9.5747510              0.1159500        
 14      4.5403460              0.1166380        
 15      1.9956870              0.0198230        
 16      0.9422150             -0.0004880        
 17      0.4178450              0.0001830        
 18      0.0957610             -0.0000700        
 19      0.0513510              0.0000630        
S   19
  1 2715278.0000000            -0.0000610        
  2 406598.4000000             -0.0001820        
  3  92530.0400000             -0.0005200        
  4  26207.9200000             -0.0014170        
  5   8549.4290000             -0.0039120        
  6   3085.9750000             -0.0108530        
  7   1203.1720000             -0.0291550        
  8    498.4869000             -0.0716000        
  9    216.7360000             -0.1504450        
 10     97.8747600             -0.2435420        
 11     45.2043300             -0.2334530        
 12     20.2118700              0.0449970        
 13      9.5747510              0.4960340        
 14      4.5403460              0.4848560        
 15      1.9956870              0.0875670        
 16      0.9422150             -0.0052830        
 17      0.4178450              0.0006420        
 18      0.0957610             -0.0006970        
 19      0.0513510              0.0005790        
S   19
  1 2715278.0000000             0.0000120        
  2 406598.4000000              0.0000360        
  3  92530.0400000              0.0001020        
  4  26207.9200000              0.0002800        
  5   8549.4290000              0.0007740        
  6   3085.9750000              0.0021630        
  7   1203.1720000              0.0058830        
  8    498.4869000              0.0148870        
  9    216.7360000              0.0331320        
 10     97.8747600              0.0602850        
 11     45.2043300              0.0674590        
 12     20.2118700             -0.0250150        
 13      9.5747510             -0.2708040        
 14      4.5403460             -0.4320030        
 15      1.9956870              0.0764930        
 16      0.9422150              0.7030970        
 17      0.4178450              0.4425890        
 18      0.0957610              0.0281380        
 19      0.0513510             -0.0122190        
S   19
  1 2715278.0000000            -0.0000030        
  2 406598.4000000             -0.0000090        
  3  92530.0400000             -0.0000250        
  4  26207.9200000             -0.0000680        
  5   8549.4290000             -0.0001870        
  6   3085.9750000             -0.0005230        
  7   1203.1720000             -0.0014240        
  8    498.4869000             -0.0035970        
  9    216.7360000             -0.0080330        
 10     97.8747600             -0.0145980        
 11     45.2043300             -0.0165140        
 12     20.2118700              0.0062890        
 13      9.5747510              0.0682630        
 14      4.5403460              0.1165590        
 15      1.9956870             -0.0299490        
 16      0.9422150             -0.2308390        
 17      0.4178450             -0.3023230        
 18      0.0957610              0.2699030        
 19      0.0513510              0.5919260        
S   19
  1 2715278.0000000            -0.0000050        
  2 406598.4000000             -0.0000150        
  3  92530.0400000             -0.0000430        
  4  26207.9200000             -0.0001190        
  5   8549.4290000             -0.0003170        
  6   3085.9750000             -0.0009330        
  7   1203.1720000             -0.0023690        
  8    498.4869000             -0.0065510        
  9    216.7360000             -0.0129980        
 10     97.8747600             -0.0278890        
 11     45.2043300             -0.0226520        
 12     20.2118700             -0.0046730        
 13      9.5747510              0.1586420        
 14      4.5403460              0.1412640        
 15      1.9956870              0.0934350        
 16      0.9422150             -0.8973280        
 17      0.4178450              0.0597060        
 18      0.0957610              2.3097260        
 19      0.0513510             -1.2862210        
S   19
  1 2715278.0000000            -0.0000080        
  2 406598.4000000             -0.0000240        
  3  92530.0400000             -0.0000670        
  4  26207.9200000             -0.0001900        
  5   8549.4290000             -0.0004920        
  6   3085.9750000             -0.0015120        
  7   1203.1720000             -0.0036160        
  8    498.4869000             -0.0107900        
  9    216.7360000             -0.0193510        
 10     97.8747600             -0.0476760        
 11     45.2043300             -0.0281580        
 12     20.2118700             -0.0279470        
 13      9.5747510              0.3104550        
 14      4.5403460              0.1769890        
 15      1.9956870              0.2158550        
 16      0.9422150             -2.3880850        
 17      0.4178450              2.3878380        
 18      0.0957610              0.8272680        
 19      0.0513510             -3.3417860        
S   1
  1      0.0238780              1.0000000        
P   15
  1  10592.1900000              0.0001010        
  2   2507.5330000              0.0005310        
  3    814.4571000              0.0026120        
  4    311.5195000              0.0106240        
  5    131.9617000              0.0359750        
  6     59.9871800              0.0992420        
  7     28.6625000              0.2117340        
  8     14.1085100              0.3300720        
  9      7.1037060              0.3297560        
 10      3.6092000              0.1568380        
 11      1.7760700              0.0218050        
 12      0.8547600             -0.0017970        
 13      0.4022390             -0.0014350        
 14      0.1546800             -0.0003000        
 15      0.0648880              0.0000370        
P   15
  1  10592.1900000             -0.0000330        
  2   2507.5330000             -0.0001740        
  3    814.4571000             -0.0008600        
  4    311.5195000             -0.0035150        
  5    131.9617000             -0.0120540        
  6     59.9871800             -0.0340690        
  7     28.6625000             -0.0752130        
  8     14.1085100             -0.1224250        
  9      7.1037060             -0.1293380        
 10      3.6092000              0.0162740        
 11      1.7760700              0.3101820        
 12      0.8547600              0.4626890        
 13      0.4022390              0.3035190        
 14      0.1546800              0.0505150        
 15      0.0648880             -0.0043930        
P   15
  1  10592.1900000             -0.0000080        
  2   2507.5330000             -0.0000420        
  3    814.4571000             -0.0002100        
  4    311.5195000             -0.0008550        
  5    131.9617000             -0.0029520        
  6     59.9871800             -0.0083120        
  7     28.6625000             -0.0185310        
  8     14.1085100             -0.0300330        
  9      7.1037060             -0.0326410        
 10      3.6092000              0.0083480        
 11      1.7760700              0.0879920        
 12      0.8547600              0.1519130        
 13      0.4022390              0.0964060        
 14      0.1546800             -0.2563870        
 15      0.0648880             -0.5874490        
P   15
  1  10592.1900000              0.0000100        
  2   2507.5330000              0.0000520        
  3    814.4571000              0.0002530        
  4    311.5195000              0.0010510        
  5    131.9617000              0.0035550        
  6     59.9871800              0.0102180        
  7     28.6625000              0.0222040        
  8     14.1085100              0.0372860        
  9      7.1037060              0.0378240        
 10      3.6092000             -0.0049720        
 11      1.7760700             -0.1112850        
 12      0.8547600             -0.1627100        
 13      0.4022390             -0.1826910        
 14      0.1546800              0.3998710        
 15      0.0648880              0.6854100        
P   15
  1  10592.1900000              0.0000200        
  2   2507.5330000              0.0000990        
  3    814.4571000              0.0005400        
  4    311.5195000              0.0019760        
  5    131.9617000              0.0076190        
  6     59.9871800              0.0189350        
  7     28.6625000              0.0488650        
  8     14.1085100              0.0648610        
  9      7.1037060              0.1074880        
 10      3.6092000             -0.0607580        
 11      1.7760700             -0.1669220        
 12      0.8547600             -0.7590390        
 13      0.4022390              0.6295020        
 14      0.1546800              1.1637940        
 15      0.0648880             -1.0239170        
P   1
  1      0.0263010              1.0000000        
D   7
  1     50.6542000              0.0042520        
  2     14.7325000              0.0274650        
  3      5.1804600              0.0992270        
  4      2.0195900              0.2299670        
  5      0.7992190              0.3442870        
  6      0.3053160              0.3736260        
  7      0.1104440              0.2680210        
D   7
  1     50.6542000             -0.0043960        
  2     14.7325000             -0.0282630        
  3      5.1804600             -0.1047920        
  4      2.0195900             -0.2343530        
  5      0.7992190             -0.3255090        
  6      0.3053160             -0.0699950        
  7      0.1104440              0.5949220        
D   7
  1     50.6542000              0.0057630        
  2     14.7325000              0.0364360        
  3      5.1804600              0.1387320        
  4      2.0195900              0.3008260        
  5      0.7992190              0.3149790        
  6      0.3053160             -0.7436330        
  7      0.1104440             -0.2346380        
D   1
  1      0.0370650              1.0000000        
F   1
  1      0.7126000              1.0000000        
F   1
  1      0.1636000              1.0000000        
G   1
  1      0.4112000              1.0000000        


name: cc-pVTZ-DK
description: VTZ2P Douglas-Kroll Valence Triple Zeta + Polarization
elt: Ti
data:
TITANIUM
S   19
  1 3014643.0000000             0.0001120        
  2 451432.9000000              0.0003320        
  3 102733.8000000              0.0009400        
  4  29098.1700000              0.0025320        
  5   9492.3300000              0.0068790        
  6   3426.3460000              0.0187490        
  7   1335.8960000              0.0492940        
  8    553.5026000              0.1166940        
  9    240.6925000              0.2273250        
 10    108.7293000              0.3105540        
 11     50.2645700              0.2205840        
 12     22.5800400              0.0732470        
 13     10.7143200              0.1131540        
 14      5.0935460              0.1136590        
 15      2.2441830              0.0193160        
 16      1.0595700             -0.0004650        
 17      0.4688490              0.0001590        
 18      0.1061430             -0.0000590        
 19      0.0552620              0.0000620        
S   19
  1 3014643.0000000            -0.0000630        
  2 451432.9000000             -0.0001890        
  3 102733.8000000             -0.0005350        
  4  29098.1700000             -0.0014430        
  5   9492.3300000             -0.0039330        
  6   3426.3460000             -0.0107960        
  7   1335.8960000             -0.0288290        
  8    553.5026000             -0.0706740        
  9    240.6925000             -0.1487780        
 10    108.7293000             -0.2420600        
 11     50.2645700             -0.2347210        
 12     22.5800400              0.0422060        
 13     10.7143200              0.4983350        
 14      5.0935460              0.4868870        
 15      2.2441830              0.0879040        
 16      1.0595700             -0.0052640        
 17      0.4688490              0.0005520        
 18      0.1061430             -0.0006280        
 19      0.0552620              0.0005530        
S   19
  1 3014643.0000000             0.0000130        
  2 451432.9000000              0.0000380        
  3 102733.8000000              0.0001090        
  4  29098.1700000              0.0002940        
  5   9492.3300000              0.0008030        
  6   3426.3460000              0.0022200        
  7   1335.8960000              0.0059990        
  8    553.5026000              0.0151490        
  9    240.6925000              0.0337330        
 10    108.7293000              0.0615630        
 11     50.2645700              0.0694620        
 12     22.5800400             -0.0241550        
 13     10.7143200             -0.2789840        
 14      5.0935460             -0.4386710        
 15      2.2441830              0.0909060        
 16      1.0595700              0.7091310        
 17      0.4688490              0.4311640        
 18      0.1061430              0.0258980        
 19      0.0552620             -0.0110070        
S   19
  1 3014643.0000000            -0.0000030        
  2 451432.9000000             -0.0000090        
  3 102733.8000000             -0.0000260        
  4  29098.1700000             -0.0000700        
  5   9492.3300000             -0.0001910        
  6   3426.3460000             -0.0005260        
  7   1335.8960000             -0.0014240        
  8    553.5026000             -0.0035930        
  9    240.6925000             -0.0080220        
 10    108.7293000             -0.0146460        
 11     50.2645700             -0.0166610        
 12     22.5800400              0.0058890        
 13     10.7143200              0.0693470        
 14      5.0935460              0.1159210        
 15      2.2441830             -0.0327170        
 16      1.0595700             -0.2334140        
 17      0.4688490             -0.2869410        
 18      0.1061430              0.2839540        
 19      0.0552620              0.5841130        
S   19
  1 3014643.0000000            -0.0000060        
  2 451432.9000000             -0.0000170        
  3 102733.8000000             -0.0000480        
  4  29098.1700000             -0.0001310        
  5   9492.3300000             -0.0003460        
  6   3426.3460000             -0.0010090        
  7   1335.8960000             -0.0025320        
  8    553.5026000             -0.0070420        
  9    240.6925000             -0.0138290        
 10    108.7293000             -0.0302210        
 11     50.2645700             -0.0239810        
 12     22.5800400             -0.0071850        
 13     10.7143200              0.1758840        
 14      5.0935460              0.1462460        
 15      2.2441830              0.0971840        
 16      1.0595700             -1.0017360        
 17      0.4688490              0.1999570        
 18      0.1061430              2.2181040        
 19      0.0552620             -1.3423230        
S   19
  1 3014643.0000000            -0.0000090        
  2 451432.9000000             -0.0000270        
  3 102733.8000000             -0.0000750        
  4  29098.1700000             -0.0002080        
  5   9492.3300000             -0.0005370        
  6   3426.3460000             -0.0016170        
  7   1335.8960000             -0.0038870        
  8    553.5026000             -0.0114190        
  9    240.6925000             -0.0208780        
 10    108.7293000             -0.0503970        
 11     50.2645700             -0.0320930        
 12     22.5800400             -0.0269460        
 13     10.7143200              0.3275740        
 14      5.0935460              0.2147230        
 15      2.2441830              0.1170160        
 16      1.0595700             -2.4080240        
 17      0.4688490              2.5936190        
 18      0.1061430              0.1447480        
 19      0.0552620             -2.5253120        
S   1
  1      0.0254650              1.0000000        
P   15
  1  11912.0300000              0.0001040        
  2   2819.9470000              0.0005330        
  3    915.9479000              0.0025880        
  4    350.3842000              0.0104700        
  5    148.4825000              0.0354710        
  6     67.5394400              0.0981640        
  7     32.3033200              0.2106310        
  8     15.9278600              0.3301970        
  9      8.0380350              0.3305000        
 10      4.0939160              0.1571860        
 11      2.0223900              0.0219670        
 12      0.9761020             -0.0017610        
 13      0.4595950             -0.0014300        
 14      0.1771950             -0.0002900        
 15      0.0734420              0.0000340        
P   15
  1  11912.0300000             -0.0000350        
  2   2819.9470000             -0.0001790        
  3    915.9479000             -0.0008700        
  4    350.3842000             -0.0035410        
  5    148.4825000             -0.0121500        
  6     67.5394400             -0.0344710        
  7     32.3033200             -0.0765940        
  8     15.9278600             -0.1256220        
  9      8.0380350             -0.1320480        
 10      4.0939160              0.0193960        
 11      2.0223900              0.3164550        
 12      0.9761020              0.4614890        
 13      0.4595950              0.2980100        
 14      0.1771950              0.0495170        
 15      0.0734420             -0.0041080        
P   15
  1  11912.0300000              0.0000080        
  2   2819.9470000              0.0000430        
  3    915.9479000              0.0002090        
  4    350.3842000              0.0008480        
  5    148.4825000              0.0029250        
  6     67.5394400              0.0082760        
  7     32.3033200              0.0185500        
  8     15.9278600              0.0303400        
  9      8.0380350              0.0327150        
 10      4.0939160             -0.0087200        
 11      2.0223900             -0.0886360        
 12      0.9761020             -0.1491650        
 13      0.4595950             -0.0932320        
 14      0.1771950              0.2507080        
 15      0.0734420              0.5861800        
P   15
  1  11912.0300000              0.0000100        
  2   2819.9470000              0.0000540        
  3    915.9479000              0.0002610        
  4    350.3842000              0.0010710        
  5    148.4825000              0.0036390        
  6     67.5394400              0.0104610        
  7     32.3033200              0.0229850        
  8     15.9278600              0.0386720        
  9      8.0380350              0.0394990        
 10      4.0939160             -0.0068990        
 11      2.0223900             -0.1146250        
 12      0.9761020             -0.1708870        
 13      0.4595950             -0.1652610        
 14      0.1771950              0.4058580        
 15      0.0734420              0.6742340        
P   15
  1  11912.0300000              0.0000210        
  2   2819.9470000              0.0001010        
  3    915.9479000              0.0005360        
  4    350.3842000              0.0019840        
  5    148.4825000              0.0075290        
  6     67.5394400              0.0191510        
  7     32.3033200              0.0486770        
  8     15.9278600              0.0671790        
  9      8.0380350              0.1039430        
 10      4.0939160             -0.0555620        
 11      2.0223900             -0.1916650        
 12      0.9761020             -0.6969070        
 13      0.4595950              0.5747490        
 14      0.1771950              1.1704990        
 15      0.0734420             -1.0063770        
P   1
  1      0.0293340              1.0000000        
D   7
  1     64.3402000              0.0038830        
  2     18.8418000              0.0262040        
  3      6.7198300              0.0968870        
  4      2.6561300              0.2316310        
  5      1.0736800              0.3519720        
  6      0.4205570              0.3725630        
  7      0.1548170              0.2505630        
D   7
  1     64.3402000             -0.0039790        
  2     18.8418000             -0.0267640        
  3      6.7198300             -0.1018940        
  4      2.6561300             -0.2371110        
  5      1.0736800             -0.3132860        
  6      0.4205570             -0.0465630        
  7      0.1548170              0.5840720        
D   7
  1     64.3402000              0.0063860        
  2     18.8418000              0.0433010        
  3      6.7198300              0.1702500        
  4      2.6561300              0.3719460        
  5      1.0736800              0.2303500        
  6      0.4205570             -0.7820270        
  7      0.1548170             -0.1235850        
D   1
  1      0.0514900              1.0000000        
F   1
  1      1.2274000              1.0000000        
F   1
  1      0.2788000              1.0000000        
G   1
  1      0.7092000              1.0000000        


name: cc-pVTZ-DK
description: VTZ2P Douglas-Kroll Valence Triple Zeta + Polarization
elt: V
data:
VANADIUM
S   19
  1 3321857.0000000             0.0001180        
  2 497435.6000000              0.0003490        
  3 113202.7000000              0.0009820        
  4  32063.3300000              0.0026180        
  5  10459.6200000              0.0070320        
  6   3775.5060000              0.0189660        
  7   1472.0400000              0.0495440        
  8    609.9331000              0.1170070        
  9    265.2634000              0.2280590        
 10    119.8607000              0.3128050        
 11     55.4489100              0.2243300        
 12     24.9837200              0.0735890        
 13     11.8805600              0.1075150        
 14      5.6603110              0.1073700        
 15      2.4957030              0.0180480        
 16      1.1778660             -0.0004330        
 17      0.5200440              0.0001240        
 18      0.1159650             -0.0000460        
 19      0.0589380              0.0000590        
S   19
  1 3321857.0000000            -0.0000660        
  2 497435.6000000             -0.0001940        
  3 113202.7000000             -0.0005450        
  4  32063.3300000             -0.0014570        
  5  10459.6200000             -0.0039270        
  6   3775.5060000             -0.0106680        
  7   1472.0400000             -0.0283160        
  8    609.9331000             -0.0692880        
  9    265.2634000             -0.1461110        
 10    119.8607000             -0.2389450        
 11     55.4489100             -0.2339170        
 12     24.9837200              0.0421070        
 13     11.8805600              0.5024910        
 14      5.6603110              0.4878150        
 15      2.4957030              0.0873120        
 16      1.1778660             -0.0053530        
 17      0.5200440              0.0004350        
 18      0.1159650             -0.0005700        
 19      0.0589380              0.0005410        
S   19
  1 3321857.0000000             0.0000140        
  2 497435.6000000              0.0000410        
  3 113202.7000000              0.0001150        
  4  32063.3300000              0.0003080        
  5  10459.6200000              0.0008330        
  6   3775.5060000              0.0022780        
  7   1472.0400000              0.0061170        
  8    609.9331000              0.0154080        
  9    265.2634000              0.0343010        
 10    119.8607000              0.0627220        
 11     55.4489100              0.0710470        
 12     24.9837200             -0.0241190        
 13     11.8805600             -0.2872100        
 14      5.6603110             -0.4426090        
 15      2.4957030              0.1068750        
 16      1.1778660              0.7133290        
 17      0.5200440              0.4194430        
 18      0.1159650              0.0238310        
 19      0.0589380             -0.0098830        
S   19
  1 3321857.0000000            -0.0000030        
  2 497435.6000000             -0.0000100        
  3 113202.7000000             -0.0000270        
  4  32063.3300000             -0.0000720        
  5  10459.6200000             -0.0001940        
  6   3775.5060000             -0.0005300        
  7   1472.0400000             -0.0014250        
  8    609.9331000             -0.0035890        
  9    265.2634000             -0.0080030        
 10    119.8607000             -0.0146610        
 11     55.4489100             -0.0167040        
 12     24.9837200              0.0057060        
 13     11.8805600              0.0703560        
 14      5.6603110              0.1145620        
 15      2.4957030             -0.0359500        
 16      1.1778660             -0.2344200        
 17      0.5200440             -0.2726820        
 18      0.1159650              0.2965280        
 19      0.0589380              0.5772100        
S   19
  1 3321857.0000000            -0.0000060        
  2 497435.6000000             -0.0000180        
  3 113202.7000000             -0.0000510        
  4  32063.3300000             -0.0001410        
  5  10459.6200000             -0.0003660        
  6   3775.5060000             -0.0010610        
  7   1472.0400000             -0.0026350        
  8    609.9331000             -0.0073430        
  9    265.2634000             -0.0143270        
 10    119.8607000             -0.0316410        
 11     55.4489100             -0.0247500        
 12     24.9837200             -0.0086380        
 13     11.8805600              0.1872210        
 14      5.6603110              0.1479670        
 15      2.4957030              0.0933070        
 16      1.1778660             -1.0567540        
 17      0.5200440              0.2916520        
 18      0.1159650              2.1339990        
 19      0.0589380             -1.3543780        
S   19
  1 3321857.0000000            -0.0000100        
  2 497435.6000000             -0.0000290        
  3 113202.7000000             -0.0000810        
  4  32063.3300000             -0.0002240        
  5  10459.6200000             -0.0005750        
  6   3775.5060000             -0.0017020        
  7   1472.0400000             -0.0040970        
  8    609.9331000             -0.0118930        
  9    265.2634000             -0.0220220        
 10    119.8607000             -0.0524010        
 11     55.4489100             -0.0349980        
 12     24.9837200             -0.0258510        
 13     11.8805600              0.3416980        
 14      5.6603110              0.2399620        
 15      2.4957030              0.0310030        
 16      1.1778660             -2.3835830        
 17      0.5200440              2.6992870        
 18      0.1159650             -0.2788310        
 19      0.0589380             -1.9836530        
S   1
  1      0.0269460              1.0000000        
P   15
  1  13273.2000000              0.0001080        
  2   3142.1260000              0.0005390        
  3   1020.5880000              0.0025820        
  4    390.4407000              0.0103900        
  5    165.5043000              0.0351890        
  6     75.3200600              0.0975890        
  7     36.0550300              0.2102360        
  8     17.8043600              0.3306940        
  9      9.0029290              0.3306980        
 10      4.5945440              0.1567000        
 11      2.2767600              0.0218570        
 12      1.1011780             -0.0017680        
 13      0.5186380             -0.0014570        
 14      0.2005740             -0.0002830        
 15      0.0812170              0.0000310        
P   15
  1  13273.2000000             -0.0000370        
  2   3142.1260000             -0.0001840        
  3   1020.5880000             -0.0008830        
  4    390.4407000             -0.0035760        
  5    165.5043000             -0.0122640        
  6     75.3200600             -0.0348910        
  7     36.0550300             -0.0778890        
  8     17.8043600             -0.1284150        
  9      9.0029290             -0.1338960        
 10      4.5945440              0.0231590        
 11      2.2767600              0.3220750        
 12      1.1011780              0.4598860        
 13      0.5186380              0.2931220        
 14      0.2005740              0.0484450        
 15      0.0812170             -0.0037030        
P   15
  1  13273.2000000              0.0000090        
  2   3142.1260000              0.0000440        
  3   1020.5880000              0.0002140        
  4    390.4407000              0.0008620        
  5    165.5043000              0.0029720        
  6     75.3200600              0.0084410        
  7     36.0550300              0.0189950        
  8     17.8043600              0.0312890        
  9      9.0029290              0.0333380        
 10      4.5945440             -0.0100750        
 11      2.2767600             -0.0925620        
 12      1.1011780             -0.1488610        
 13      0.5186380             -0.0823020        
 14      0.2005740              0.2504590        
 15      0.0812170              0.5799250        
P   15
  1  13273.2000000              0.0000110        
  2   3142.1260000              0.0000560        
  3   1020.5880000              0.0002660        
  4    390.4407000              0.0010870        
  5    165.5043000              0.0036880        
  6     75.3200600              0.0106400        
  7     36.0550300              0.0234680        
  8     17.8043600              0.0397630        
  9      9.0029290              0.0401880        
 10      4.5945440             -0.0080990        
 11      2.2767600             -0.1183280        
 12      1.1011780             -0.1730030        
 13      0.5186380             -0.1539630        
 14      0.2005740              0.4118200        
 15      0.0812170              0.6696520        
P   15
  1  13273.2000000              0.0000230        
  2   3142.1260000              0.0001070        
  3   1020.5880000              0.0005570        
  4    390.4407000              0.0020550        
  5    165.5043000              0.0077880        
  6     75.3200600              0.0198910        
  7     36.0550300              0.0507500        
  8     17.8043600              0.0705330        
  9      9.0029290              0.1081080        
 10      4.5945440             -0.0606770        
 11      2.2767600             -0.2162910        
 12      1.1011780             -0.6786280        
 13      0.5186380              0.6035630        
 14      0.2005740              1.1148540        
 15      0.0812170             -0.9880720        
P   1
  1      0.0317330              1.0000000        
D   7
  1     78.2841000              0.0035870        
  2     23.0120000              0.0249740        
  3      8.2901600              0.0940290        
  4      3.3079100              0.2290420        
  5      1.3555500              0.3518030        
  6      0.5392580              0.3708890        
  7      0.2012550              0.2485580        
D   7
  1     78.2841000             -0.0038180        
  2     23.0120000             -0.0265310        
  3      8.2901600             -0.1030470        
  4      3.3079100             -0.2466900        
  5      1.3555500             -0.3129250        
  6      0.5392580             -0.0275810        
  7      0.2012550              0.5660110        
D   7
  1     78.2841000              0.0059800        
  2     23.0120000              0.0417790        
  3      8.2901600              0.1689470        
  4      3.3079100              0.3831330        
  5      1.3555500              0.2118890        
  6      0.5392580             -0.7715530        
  7      0.2012550             -0.1298600        
D   1
  1      0.0671460              1.0000000        
F   1
  1      1.7488000              1.0000000        
F   1
  1      0.4057000              1.0000000        
G   1
  1      1.1127000              1.0000000        


name: cc-pVTZ-DK
description: VTZ2P Douglas-Kroll Valence Triple Zeta + Polarization
elt: Cr
data:
CHROMIUM
S   19
  1 6177194.0000000             0.0000840        
  2 924929.5000000              0.0002410        
  3 210486.5000000              0.0006580        
  4  59620.0500000              0.0016730        
  5  19450.7600000              0.0042480        
  6   7022.0560000              0.0108890        
  7   2738.7630000              0.0278590        
  8   1135.8140000              0.0678880        
  9    495.0923000              0.1468020        
 10    224.7487000              0.2556230        
 11    105.3836000              0.2984080        
 12     50.1935900              0.1745600        
 13     22.2495700              0.0696900        
 14     10.9826500              0.1141840        
 15      5.3836650              0.0840700        
 16      2.3436850              0.0099260        
 17      1.1052020             -0.0003160        
 18      0.4878480              0.0000590        
 19      0.0895990              0.0000160        
S   19
  1 6177194.0000000            -0.0000460        
  2 924929.5000000             -0.0001340        
  3 210486.5000000             -0.0003640        
  4  59620.0500000             -0.0009270        
  5  19450.7600000             -0.0023610        
  6   7022.0560000             -0.0060760        
  7   2738.7630000             -0.0157230        
  8   1135.8140000             -0.0390780        
  9    495.0923000             -0.0887110        
 10    224.7487000             -0.1701120        
 11    105.3836000             -0.2472980        
 12     50.1935900             -0.1863810        
 13     22.2495700              0.1584390        
 14     10.9826500              0.5481250        
 15      5.3836650              0.3885790        
 16      2.3436850              0.0492810        
 17      1.1052020             -0.0043050        
 18      0.4878480              0.0001110        
 19      0.0895990             -0.0000270        
S   19
  1 6177194.0000000             0.0000100        
  2 924929.5000000              0.0000290        
  3 210486.5000000              0.0000780        
  4  59620.0500000              0.0002000        
  5  19450.7600000              0.0005110        
  6   7022.0560000              0.0013170        
  7   2738.7630000              0.0034470        
  8   1135.8140000              0.0086680        
  9    495.0923000              0.0204950        
 10    224.7487000              0.0417010        
 11    105.3836000              0.0693000        
 12     50.1935900              0.0581890        
 13     22.2495700             -0.0761810        
 14     10.9826500             -0.3561380        
 15      5.3836650             -0.3726510        
 16      2.3436850              0.2838030        
 17      1.1052020              0.7149340        
 18      0.4878480              0.2908760        
 19      0.0895990              0.0069090        
S   19
  1 6177194.0000000            -0.0000020        
  2 924929.5000000             -0.0000070        
  3 210486.5000000             -0.0000180        
  4  59620.0500000             -0.0000450        
  5  19450.7600000             -0.0001170        
  6   7022.0560000             -0.0002980        
  7   2738.7630000             -0.0007900        
  8   1135.8140000             -0.0019570        
  9    495.0923000             -0.0047250        
 10    224.7487000             -0.0093680        
 11    105.3836000             -0.0162500        
 12     50.1935900             -0.0125490        
 13     22.2495700              0.0155500        
 14     10.9826500              0.0916910        
 15      5.3836650              0.0854260        
 16      2.3436850             -0.0662500        
 17      1.1052020             -0.2868520        
 18      0.4878480             -0.1703030        
 19      0.0895990              0.6967260        
S   19
  1 6177194.0000000             0.0000040        
  2 924929.5000000              0.0000130        
  3 210486.5000000              0.0000360        
  4  59620.0500000              0.0000880        
  5  19450.7600000              0.0002390        
  6   7022.0560000              0.0005570        
  7   2738.7630000              0.0016820        
  8   1135.8140000              0.0034900        
  9    495.0923000              0.0105120        
 10    224.7487000              0.0153920        
 11    105.3836000              0.0402770        
 12     50.1935900              0.0073940        
 13     22.2495700              0.0140570        
 14     10.9826500             -0.2936730        
 15      5.3836650              0.0030100        
 16      2.3436850             -0.1758500        
 17      1.1052020              1.5006460        
 18      0.4878480             -1.1269400        
 19      0.0895990             -1.2270880        
S   19
  1 6177194.0000000            -0.0000070        
  2 924929.5000000             -0.0000210        
  3 210486.5000000             -0.0000580        
  4  59620.0500000             -0.0001450        
  5  19450.7600000             -0.0003840        
  6   7022.0560000             -0.0009370        
  7   2738.7630000             -0.0026480        
  8   1135.8140000             -0.0060270        
  9    495.0923000             -0.0162070        
 10    224.7487000             -0.0279550        
 11    105.3836000             -0.0593480        
 12     50.1935900             -0.0278590        
 13     22.2495700              0.0170670        
 14     10.9826500              0.4205010        
 15      5.3836650              0.2026980        
 16      2.3436850             -0.4517940        
 17      1.1052020             -1.9067910        
 18      0.4878480              2.8955150        
 19      0.0895990             -2.2377970        
S   1
  1      0.0334230              1.0000000        
P   15
  1  14454.2000000              0.0001150        
  2   3421.6760000              0.0005600        
  3   1111.3870000              0.0026530        
  4    425.1918000              0.0106120        
  5    180.2623000              0.0358670        
  6     82.0611700              0.0993240        
  7     39.2972600              0.2135250        
  8     19.4195900              0.3339970        
  9      9.8288990              0.3282920        
 10      5.0168100              0.1505820        
 11      2.4870910              0.0200020        
 12      1.1987800             -0.0015630        
 13      0.5586950             -0.0012910        
 14      0.2093660             -0.0002120        
 15      0.0847220              0.0000240        
P   15
  1  14454.2000000             -0.0000400        
  2   3421.6760000             -0.0001940        
  3   1111.3870000             -0.0009220        
  4    425.1918000             -0.0037110        
  5    180.2623000             -0.0127060        
  6     82.0611700             -0.0361210        
  7     39.2972600             -0.0805400        
  8     19.4195900             -0.1323120        
  9      9.8288990             -0.1340350        
 10      5.0168100              0.0347070        
 11      2.4870910              0.3356300        
 12      1.1987800              0.4612780        
 13      0.5586950              0.2785730        
 14      0.2093660              0.0412210        
 15      0.0847220             -0.0038000        
P   15
  1  14454.2000000              0.0000090        
  2   3421.6760000              0.0000460        
  3   1111.3870000              0.0002190        
  4    425.1918000              0.0008780        
  5    180.2623000              0.0030300        
  6     82.0611700              0.0085680        
  7     39.2972600              0.0193430        
  8     19.4195900              0.0315600        
  9      9.8288990              0.0330560        
 10      5.0168100             -0.0135900        
 11      2.4870910             -0.0940090        
 12      1.1987800             -0.1498470        
 13      0.5586950             -0.0657160        
 14      0.2093660              0.2711740        
 15      0.0847220              0.5750590        
P   15
  1  14454.2000000              0.0000120        
  2   3421.6760000              0.0000590        
  3   1111.3870000              0.0002770        
  4    425.1918000              0.0011210        
  5    180.2623000              0.0038200        
  6     82.0611700              0.0109400        
  7     39.2972600              0.0243010        
  8     19.4195900              0.0405940        
  9      9.8288990              0.0407730        
 10      5.0168100             -0.0134400        
 11      2.4870910             -0.1211060        
 12      1.1987800             -0.1827370        
 13      0.5586950             -0.1200720        
 14      0.2093660              0.4449520        
 15      0.0847220              0.6413430        
P   15
  1  14454.2000000              0.0000250        
  2   3421.6760000              0.0001160        
  3   1111.3870000              0.0006020        
  4    425.1918000              0.0021980        
  5    180.2623000              0.0083680        
  6     82.0611700              0.0212190        
  7     39.2972600              0.0545450        
  8     19.4195900              0.0746730        
  9      9.8288990              0.1147010        
 10      5.0168100             -0.0783210        
 11      2.4870910             -0.2465150        
 12      1.1987800             -0.6773230        
 13      0.5586950              0.7479410        
 14      0.2093660              0.9845060        
 15      0.0847220             -1.0295180        
P   1
  1      0.0332780              1.0000000        
D   7
  1     89.4745000              0.0036170        
  2     26.3368000              0.0255390        
  3      9.5342900              0.0968340        
  4      3.8211800              0.2351220        
  5      1.5716900              0.3574460        
  6      0.6264220              0.3691600        
  7      0.2330550              0.2380780        
D   7
  1     89.4745000             -0.0041240        
  2     26.3368000             -0.0290980        
  3      9.5342900             -0.1143160        
  4      3.8211800             -0.2719580        
  5      1.5716900             -0.3162730        
  6      0.6264220              0.0374570        
  7      0.2330550              0.5894820        
D   7
  1     89.4745000              0.0059530        
  2     26.3368000              0.0422270        
  3      9.5342900              0.1730970        
  4      3.8211800              0.3927110        
  5      1.5716900              0.1544870        
  6      0.6264220             -0.8070190        
  7      0.2330550              0.0009440        
D   1
  1      0.0763030              1.0000000        
F   1
  1      2.2211000              1.0000000        
F   1
  1      0.5231000              1.0000000        
G   1
  1      1.4199000              1.0000000        


name: cc-pVTZ-DK
description: VTZ2P Douglas-Kroll Valence Triple Zeta + Polarization
elt: Mn
data:
MANGANESE
S   19
  1 3960805.0000000             0.0001350        
  2 593115.5000000              0.0003950        
  3 134976.8000000              0.0010960        
  4  38230.6700000              0.0028710        
  5  12471.5400000              0.0075540        
  6   4501.7430000              0.0199750        
  7   1755.2120000              0.0515080        
  8    727.3039000              0.1210030        
  9    316.3678000              0.2360360        
 10    143.0098000              0.3264820        
 11     66.2180500              0.2393020        
 12     29.9189600              0.0718200        
 13     14.3031800              0.0759500        
 14      6.8394510              0.0750300        
 15      3.0123740              0.0118360        
 16      1.4188080             -0.0003590        
 17      0.6236240             -0.0000620        
 18      0.1340980             -0.0000140        
 19      0.0655480              0.0000260        
S   19
  1 3960805.0000000            -0.0000650        
  2 593115.5000000             -0.0001890        
  3 134976.8000000             -0.0005250        
  4  38230.6700000             -0.0013790        
  5  12471.5400000             -0.0036420        
  6   4501.7430000             -0.0097110        
  7   1755.2120000             -0.0254890        
  8    727.3039000             -0.0622590        
  9    316.3678000             -0.1322860        
 10    143.0098000             -0.2204590        
 11     66.2180500             -0.2215130        
 12     29.9189600              0.0493360        
 13     14.3031800              0.5165030        
 14      6.8394510              0.4900740        
 15      3.0123740              0.0845860        
 16      1.4188080             -0.0068570        
 17      0.6236240             -0.0004660        
 18      0.1340980             -0.0005260        
 19      0.0655480              0.0004990        
S   19
  1 3960805.0000000             0.0000160        
  2 593115.5000000              0.0000460        
  3 134976.8000000              0.0001280        
  4  38230.6700000              0.0003370        
  5  12471.5400000              0.0008910        
  6   4501.7430000              0.0023910        
  7   1755.2120000              0.0063340        
  8    727.3039000              0.0158660        
  9    316.3678000              0.0352360        
 10    143.0098000              0.0645450        
 11     66.2180500              0.0730570        
 12     29.9189600             -0.0257370        
 13     14.3031800             -0.3026850        
 14      6.8394510             -0.4440650        
 15      3.0123740              0.1409020        
 16      1.4188080              0.7189900        
 17      0.6236240              0.3952070        
 18      0.1340980              0.0198510        
 19      0.0655480             -0.0077830        
S   19
  1 3960805.0000000            -0.0000040        
  2 593115.5000000             -0.0000100        
  3 134976.8000000             -0.0000290        
  4  38230.6700000             -0.0000750        
  5  12471.5400000             -0.0001990        
  6   4501.7430000             -0.0005330        
  7   1755.2120000             -0.0014130        
  8    727.3039000             -0.0035420        
  9    316.3678000             -0.0078710        
 10    143.0098000             -0.0144660        
 11     66.2180500             -0.0164250        
 12     29.9189600              0.0057620        
 13     14.3031800              0.0712660        
 14      6.8394510              0.1094140        
 15      3.0123740             -0.0428130        
 16      1.4188080             -0.2293830        
 17      0.6236240             -0.2461200        
 18      0.1340980              0.3096530        
 19      0.0655480              0.5658570        
S   19
  1 3960805.0000000            -0.0000070        
  2 593115.5000000             -0.0000210        
  3 134976.8000000             -0.0000570        
  4  38230.6700000             -0.0001530        
  5  12471.5400000             -0.0003900        
  6   4501.7430000             -0.0011070        
  7   1755.2120000             -0.0027160        
  8    727.3039000             -0.0075260        
  9    316.3678000             -0.0146430        
 10    143.0098000             -0.0324340        
 11     66.2180500             -0.0252390        
 12     29.9189600             -0.0086680        
 13     14.3031800              0.1951750        
 14      6.8394510              0.1474640        
 15      3.0123740              0.0703750        
 16      1.4188080             -1.0667770        
 17      0.6236240              0.3723110        
 18      0.1340980              1.9872070        
 19      0.0655480             -1.2893930        
S   19
  1 3960805.0000000            -0.0000110        
  2 593115.5000000             -0.0000340        
  3 134976.8000000             -0.0000930        
  4  38230.6700000             -0.0002500        
  5  12471.5400000             -0.0006340        
  6   4501.7430000             -0.0018190        
  7   1755.2120000             -0.0043920        
  8    727.3039000             -0.0124300        
  9    316.3678000             -0.0235800        
 10    143.0098000             -0.0543090        
 11     66.2180500             -0.0393500        
 12     29.9189600             -0.0205440        
 13     14.3031800              0.3531150        
 14      6.8394510              0.2786720        
 15      3.0123740             -0.1195220        
 16      1.4188080             -2.2468870        
 17      0.6236240              2.7026690        
 18      0.1340980             -0.5973580        
 19      0.0655480             -1.4948730        
S   1
  1      0.0295840              1.0000000        
P   15
  1  16205.8600000              0.0001180        
  2   3836.2740000              0.0005550        
  3   1246.0480000              0.0025910        
  4    476.7535000              0.0102970        
  5    202.1895000              0.0348120        
  6     92.0948700              0.0968140        
  7     44.1472000              0.2099030        
  8     21.8546800              0.3319070        
  9     11.0859600              0.3311790        
 10      5.6741080              0.1557000        
 11      2.8231700              0.0209060        
 12      1.3686210             -0.0028140        
 13      0.6444310             -0.0021480        
 14      0.2483460             -0.0003790        
 15      0.0971750              0.0000360        
P   15
  1  16205.8600000             -0.0000410        
  2   3836.2740000             -0.0001930        
  3   1246.0480000             -0.0009030        
  4    476.7535000             -0.0036140        
  5    202.1895000             -0.0123730        
  6     92.0948700             -0.0353410        
  7     44.1472000             -0.0794990        
  8     21.8546800             -0.1321930        
  9     11.0859600             -0.1356890        
 10      5.6741080              0.0301330        
 11      2.8231700              0.3310290        
 12      1.3686210              0.4567780        
 13      0.6444310              0.2859100        
 14      0.2483460              0.0465830        
 15      0.0971750             -0.0033840        
P   15
  1  16205.8600000             -0.0000090        
  2   3836.2740000             -0.0000440        
  3   1246.0480000             -0.0002080        
  4    476.7535000             -0.0008320        
  5    202.1895000             -0.0028570        
  6     92.0948700             -0.0081640        
  7     44.1472000             -0.0184550        
  8     21.8546800             -0.0307730        
  9     11.0859600             -0.0319990        
 10      5.6741080              0.0107510        
 11      2.8231700              0.0908940        
 12      1.3686210              0.1379450        
 13      0.6444310              0.0761120        
 14      0.2483460             -0.2313460        
 15      0.0971750             -0.5751700        
P   15
  1  16205.8600000              0.0000130        
  2   3836.2740000              0.0000600        
  3   1246.0480000              0.0002790        
  4    476.7535000              0.0011270        
  5    202.1895000              0.0038180        
  6     92.0948700              0.0110610        
  7     44.1472000              0.0245850        
  8     21.8546800              0.0420330        
  9     11.0859600              0.0418110        
 10      5.6741080             -0.0108470        
 11      2.8231700             -0.1265590        
 12      1.3686210             -0.1789830        
 13      0.6444310             -0.1260670        
 14      0.2483460              0.4203830        
 15      0.0971750              0.6578380        
P   15
  1  16205.8600000              0.0000270        
  2   3836.2740000              0.0001220        
  3   1246.0480000              0.0006140        
  4    476.7535000              0.0022650        
  5    202.1895000              0.0084770        
  6     92.0948700              0.0220190        
  7     44.1472000              0.0557870        
  8     21.8546800              0.0799210        
  9     11.0859600              0.1168920        
 10      5.6741080             -0.0685680        
 11      2.8231700             -0.2828210        
 12      1.3686210             -0.6506830        
 13      0.6444310              0.7151330        
 14      0.2483460              0.9592410        
 15      0.0971750             -0.9371570        
P   1
  1      0.0365650              1.0000000        
D   7
  1    101.9040000              0.0035750        
  2     30.0337000              0.0255750        
  3     10.9238000              0.0977470        
  4      4.3974000              0.2370560        
  5      1.8159500              0.3579230        
  6      0.7257310              0.3658070        
  7      0.2699610              0.2362960        
D   7
  1    101.9040000             -0.0036460        
  2     30.0337000             -0.0260790        
  3     10.9238000             -0.1024550        
  4      4.3974000             -0.2488950        
  5      1.8159500             -0.3018870        
  6      0.7257310              0.0083690        
  7      0.2699610              0.5397650        
D   7
  1    101.9040000              0.0058600        
  2     30.0337000              0.0421430        
  3     10.9238000              0.1737480        
  4      4.3974000              0.3964200        
  5      1.8159500              0.1643200        
  6      0.7257310             -0.7198750        
  7      0.2699610             -0.1641420        
D   1
  1      0.0877600              1.0000000        
F   1
  1      2.7032000              1.0000000        
F   1
  1      0.6438000              1.0000000        
G   1
  1      1.7022000              1.0000000        


name: cc-pVTZ-DK
description: VTZ2P Douglas-Kroll Valence Triple Zeta + Polarization
elt: Fe
data:
IRON
S   19
  1 4316265.0000000             0.0001400        
  2 646342.4000000              0.0004050        
  3 147089.7000000              0.0011190        
  4  41661.5200000              0.0029070        
  5  13590.7700000              0.0075710        
  6   4905.7500000              0.0198180        
  7   1912.7460000              0.0507340        
  8    792.6043000              0.1187290        
  9    344.8065000              0.2311640        
 10    155.8999000              0.3193220        
 11     72.2309100              0.2336480        
 12     32.7250600              0.0740220        
 13     15.6676200              0.0909520        
 14      7.5034830              0.0888980        
 15      3.3122230              0.0143020        
 16      1.5584710             -0.0003870        
 17      0.6839140              0.0000080        
 18      0.1467570             -0.0000250        
 19      0.0705830              0.0000320        
S   19
  1 4316265.0000000            -0.0000720        
  2 646342.4000000             -0.0002090        
  3 147089.7000000             -0.0005790        
  4  41661.5200000             -0.0015060        
  5  13590.7700000             -0.0039390        
  6   4905.7500000             -0.0103960        
  7   1912.7460000             -0.0270740        
  8    792.6043000             -0.0657770        
  9    344.8065000             -0.1390820        
 10    155.8999000             -0.2301500        
 11     72.2309100             -0.2296630        
 12     32.7250600              0.0460910        
 13     15.6676200              0.5150510        
 14      7.5034830              0.4871750        
 15      3.3122230              0.0843800        
 16      1.5584710             -0.0059110        
 17      0.6839140             -0.0000440        
 18      0.1467570             -0.0004870        
 19      0.0705830              0.0004370        
S   19
  1 4316265.0000000             0.0000170        
  2 646342.4000000              0.0000490        
  3 147089.7000000              0.0001350        
  4  41661.5200000              0.0003520        
  5  13590.7700000              0.0009230        
  6   4905.7500000              0.0024520        
  7   1912.7460000              0.0064510        
  8    792.6043000              0.0161060        
  9    344.8065000              0.0357420        
 10    155.8999000              0.0655280        
 11     72.2309100              0.0744300        
 12     32.7250600             -0.0257110        
 13     15.6676200             -0.3086450        
 14      7.5034830             -0.4465440        
 15      3.3122230              0.1489850        
 16      1.5584710              0.7203950        
 17      0.6839140              0.3896980        
 18      0.1467570              0.0191840        
 19      0.0705830             -0.0070230        
S   19
  1 4316265.0000000            -0.0000040        
  2 646342.4000000             -0.0000110        
  3 147089.7000000             -0.0000290        
  4  41661.5200000             -0.0000770        
  5  13590.7700000             -0.0002010        
  6   4905.7500000             -0.0005350        
  7   1912.7460000             -0.0014080        
  8    792.6043000             -0.0035180        
  9    344.8065000             -0.0078140        
 10    155.8999000             -0.0143720        
 11     72.2309100             -0.0163830        
 12     32.7250600              0.0056430        
 13     15.6676200              0.0712210        
 14      7.5034830              0.1078000        
 15      3.3122230             -0.0442620        
 16      1.5584710             -0.2259990        
 17      0.6839140             -0.2376280        
 18      0.1467570              0.2977800        
 19      0.0705830              0.5654970        
S   19
  1 4316265.0000000            -0.0000070        
  2 646342.4000000             -0.0000210        
  3 147089.7000000             -0.0000580        
  4  41661.5200000             -0.0001550        
  5  13590.7700000             -0.0003930        
  6   4905.7500000             -0.0011010        
  7   1912.7460000             -0.0026930        
  8    792.6043000             -0.0074040        
  9    344.8065000             -0.0144840        
 10    155.8999000             -0.0318530        
 11     72.2309100             -0.0253520        
 12     32.7250600             -0.0078870        
 13     15.6676200              0.1914700        
 14      7.5034830              0.1482420        
 15      3.3122230              0.0507610        
 16      1.5584710             -1.0122460        
 17      0.6839140              0.3423390        
 18      0.1467570              1.8572660        
 19      0.0705830             -1.0636790        
S   19
  1 4316265.0000000            -0.0000120        
  2 646342.4000000             -0.0000360        
  3 147089.7000000             -0.0000990        
  4  41661.5200000             -0.0002630        
  5  13590.7700000             -0.0006640        
  6   4905.7500000             -0.0018690        
  7   1912.7460000             -0.0045420        
  8    792.6043000             -0.0126010        
  9    344.8065000             -0.0244230        
 10    155.8999000             -0.0546520        
 11     72.2309100             -0.0425410        
 12     32.7250600             -0.0159890        
 13     15.6676200              0.3459640        
 14      7.5034830              0.3206410        
 15      3.3122230             -0.2021250        
 16      1.5584710             -2.1606730        
 17      0.6839140              2.6274860        
 18      0.1467570             -0.4754520        
 19      0.0705830             -1.5666130        
S   1
  1      0.0314490              1.0000000        
P   15
  1  17745.6900000              0.0001230        
  2   4200.7210000              0.0005660        
  3   1364.4290000              0.0026080        
  4    522.0806000              0.0102950        
  5    221.4595000              0.0347510        
  6    100.9096000              0.0966900        
  7     48.4011500              0.2100300        
  8     23.9853600              0.3324570        
  9     12.1825000              0.3307710        
 10      6.2422980              0.1547330        
 11      3.1109440              0.0209640        
 12      1.5099580             -0.0023460        
 13      0.7108450             -0.0018540        
 14      0.2725980             -0.0003170        
 15      0.1039720              0.0000300        
P   15
  1  17745.6900000             -0.0000430        
  2   4200.7210000             -0.0002000        
  3   1364.4290000             -0.0009230        
  4    522.0806000             -0.0036680        
  5    221.4595000             -0.0125390        
  6    100.9096000             -0.0358480        
  7     48.4011500             -0.0808220        
  8     23.9853600             -0.1346970        
  9     12.1825000             -0.1369120        
 10      6.2422980              0.0337130        
 11      3.1109440              0.3356700        
 12      1.5099580              0.4554960        
 13      0.7108450              0.2817600        
 14      0.2725980              0.0451500        
 15      0.1039720             -0.0031650        
P   15
  1  17745.6900000              0.0000090        
  2   4200.7210000              0.0000440        
  3   1364.4290000              0.0002010        
  4    522.0806000              0.0008000        
  5    221.4595000              0.0027380        
  6    100.9096000              0.0078480        
  7     48.4011500              0.0177390        
  8     23.9853600              0.0297490        
  9     12.1825000              0.0303890        
 10      6.2422980             -0.0107650        
 11      3.1109440             -0.0876890        
 12      1.5099580             -0.1284700        
 13      0.7108450             -0.0739960        
 14      0.2725980              0.2154550        
 15      0.1039720              0.5720050        
P   15
  1  17745.6900000              0.0000140        
  2   4200.7210000              0.0000660        
  3   1364.4290000              0.0003030        
  4    522.0806000              0.0012190        
  5    221.4595000              0.0041200        
  6    100.9096000              0.0119530        
  7     48.4011500              0.0266200        
  8     23.9853600              0.0456990        
  9     12.1825000              0.0450330        
 10      6.2422980             -0.0130110        
 11      3.1109440             -0.1413750        
 12      1.5099580             -0.1941480        
 13      0.7108450             -0.1017700        
 14      0.2725980              0.4678640        
 15      0.1039720              0.6242180        
P   15
  1  17745.6900000              0.0000300        
  2   4200.7210000              0.0001340        
  3   1364.4290000              0.0006590        
  4    522.0806000              0.0024470        
  5    221.4595000              0.0090140        
  6    100.9096000              0.0238230        
  7     48.4011500              0.0593640        
  8     23.9853600              0.0875800        
  9     12.1825000              0.1222860        
 10      6.2422980             -0.0681120        
 11      3.1109440             -0.3519070        
 12      1.5099580             -0.6237060        
 13      0.7108450              0.8414480        
 14      0.2725980              0.7920700        
 15      0.1039720             -0.9175100        
P   1
  1      0.0381660              1.0000000        
D   7
  1    114.8840000              0.0035320        
  2     33.8878000              0.0255500        
  3     12.3730000              0.0983570        
  4      4.9992500              0.2379190        
  5      2.0704300              0.3565390        
  6      0.8281830              0.3628480        
  7      0.3075470              0.2388030        
D   7
  1    114.8840000             -0.0038960        
  2     33.8878000             -0.0282070        
  3     12.3730000             -0.1115730        
  4      4.9992500             -0.2728390        
  5      2.0704300             -0.3171520        
  6      0.8281830              0.0520620        
  7      0.3075470              0.5612690        
D   7
  1    114.8840000              0.0057030        
  2     33.8878000              0.0416910        
  3     12.3730000              0.1720430        
  4      4.9992500              0.4086070        
  5      2.0704300              0.1195250        
  6      0.8281830             -0.7660380        
  7      0.3075470             -0.0430810        
D   1
  1      0.0994550              1.0000000        
F   1
  1      3.2243000              1.0000000        
F   1
  1      0.7758000              1.0000000        
G   1
  1      2.0515000              1.0000000        


name: cc-pVTZ-DK
description: VTZ2P Douglas-Kroll Valence Triple Zeta + Polarization
elt: Co
data:
COBALT
S   19
  1 4675675.0000000             0.0001460        
  2 700161.5000000              0.0004220        
  3 159337.3000000              0.0011570        
  4  45130.4600000              0.0029820        
  5  14722.3800000              0.0076950        
  6   5314.2220000              0.0199530        
  7   2072.0180000              0.0507170        
  8    858.6188000              0.1182300        
  9    373.5497000              0.2298040        
 10    168.9229000              0.3172830        
 11     78.2963900              0.2323250        
 12     35.5212300              0.0748630        
 13     17.0414400              0.0946490        
 14      8.1730000              0.0916250        
 15      3.6103180              0.0146600        
 16      1.6970470             -0.0004140        
 17      0.7435320              0.0000050        
 18      0.1583440             -0.0000280        
 19      0.0750360              0.0000290        
S   19
  1 4675675.0000000            -0.0000770        
  2 700161.5000000             -0.0002220        
  3 159337.3000000             -0.0006100        
  4  45130.4600000             -0.0015760        
  5  14722.3800000             -0.0040850        
  6   5314.2220000             -0.0106780        
  7   2072.0180000             -0.0276130        
  8    858.6188000             -0.0668160        
  9    373.5497000             -0.1409790        
 10    168.9229000             -0.2329210        
 11     78.2963900             -0.2320460        
 12     35.5212300              0.0465530        
 13     17.0414400              0.5169650        
 14      8.1730000              0.4848400        
 15      3.6103180              0.0832890        
 16      1.6970470             -0.0058110        
 17      0.7435320             -0.0000540        
 18      0.1583440             -0.0004680        
 19      0.0750360              0.0003890        
S   19
  1 4675675.0000000             0.0000180        
  2 700161.5000000              0.0000520        
  3 159337.3000000              0.0001420        
  4  45130.4600000              0.0003670        
  5  14722.3800000              0.0009540        
  6   5314.2220000              0.0025120        
  7   2072.0180000              0.0065640        
  8    858.6188000              0.0163310        
  9    373.5497000              0.0361860        
 10    168.9229000              0.0663520        
 11     78.2963900              0.0753430        
 12     35.5212300             -0.0264870        
 13     17.0414400             -0.3148050        
 14      8.1730000             -0.4467120        
 15      3.6103180              0.1601200        
 16      1.6970470              0.7213240        
 17      0.7435320              0.3823570        
 18      0.1583440              0.0181880        
 19      0.0750360             -0.0064150        
S   19
  1 4675675.0000000            -0.0000040        
  2 700161.5000000             -0.0000110        
  3 159337.3000000             -0.0000300        
  4  45130.4600000             -0.0000780        
  5  14722.3800000             -0.0002040        
  6   5314.2220000             -0.0005360        
  7   2072.0180000             -0.0014020        
  8    858.6188000             -0.0034900        
  9    373.5497000             -0.0077400        
 10    168.9229000             -0.0142400        
 11     78.2963900             -0.0162270        
 12     35.5212300              0.0056920        
 13     17.0414400              0.0711360        
 14      8.1730000              0.1054210        
 15      3.6103180             -0.0461870        
 16      1.6970470             -0.2220020        
 17      0.7435320             -0.2286240        
 18      0.1583440              0.2913320        
 19      0.0750360              0.5630580        
S   19
  1 4675675.0000000            -0.0000070        
  2 700161.5000000             -0.0000220        
  3 159337.3000000             -0.0000590        
  4  45130.4600000             -0.0001550        
  5  14722.3800000             -0.0003910        
  6   5314.2220000             -0.0010810        
  7   2072.0180000             -0.0026380        
  8    858.6188000             -0.0071860        
  9    373.5497000             -0.0141410        
 10    168.9229000             -0.0308010        
 11     78.2963900             -0.0250300        
 12     35.5212300             -0.0064990        
 13     17.0414400              0.1848310        
 14      8.1730000              0.1464850        
 15      3.6103180              0.0302550        
 16      1.6970470             -0.9422380        
 17      0.7435320              0.3006350        
 18      0.1583440              1.7414180        
 19      0.0750360             -0.8549780        
S   19
  1 4675675.0000000            -0.0000130        
  2 700161.5000000             -0.0000390        
  3 159337.3000000             -0.0001060        
  4  45130.4600000             -0.0002790        
  5  14722.3800000             -0.0007010        
  6   5314.2220000             -0.0019420        
  7   2072.0180000             -0.0047230        
  8    858.6188000             -0.0129400        
  9    373.5497000             -0.0253430        
 10    168.9229000             -0.0558190        
 11     78.2963900             -0.0449660        
 12     35.5212300             -0.0133060        
 13     17.0414400              0.3496310        
 14      8.1730000              0.3478650        
 15      3.6103180             -0.2728950        
 16      1.6970470             -2.0932430        
 17      0.7435320              2.5711840        
 18      0.1583440             -0.3869540        
 19      0.0750360             -1.5896740        
S   1
  1      0.0330910              1.0000000        
P   15
  1  19267.7800000              0.0001300        
  2   4560.9860000              0.0005820        
  3   1481.4360000              0.0026480        
  4    566.8671000              0.0103810        
  5    240.4910000              0.0349630        
  6    109.6105000              0.0972290        
  7     52.5949100              0.2112480        
  8     26.0836100              0.3338520        
  9     13.2614300              0.3297510        
 10      6.7997780              0.1522940        
 11      3.3934140              0.0202650        
 12      1.6487660             -0.0022850        
 13      0.7762820             -0.0018110        
 14      0.2972090             -0.0002960        
 15      0.1133520              0.0000280        
P   15
  1  19267.7800000             -0.0000460        
  2   4560.9860000             -0.0002080        
  3   1481.4360000             -0.0009470        
  4    566.8671000             -0.0037380        
  5    240.4910000             -0.0127500        
  6    109.6105000             -0.0364470        
  7     52.5949100             -0.0822350        
  8     26.0836100             -0.1369990        
  9     13.2614300             -0.1371210        
 10      6.7997780              0.0393210        
 11      3.3934140              0.3412260        
 12      1.6487660              0.4536340        
 13      0.7762820              0.2761140        
 14      0.2972090              0.0436650        
 15      0.1133520             -0.0030700        
P   15
  1  19267.7800000             -0.0000100        
  2   4560.9860000             -0.0000460        
  3   1481.4360000             -0.0002090        
  4    566.8671000             -0.0008250        
  5    240.4910000             -0.0028170        
  6    109.6105000             -0.0080680        
  7     52.5949100             -0.0182680        
  8     26.0836100             -0.0305860        
  9     13.2614300             -0.0308830        
 10      6.7997780              0.0123030        
 11      3.3934140              0.0904310        
 12      1.6487660              0.1308200        
 13      0.7762820              0.0692110        
 14      0.2972090             -0.2248820        
 15      0.1133520             -0.5696560        
P   15
  1  19267.7800000              0.0000160        
  2   4560.9860000              0.0000720        
  3   1481.4360000              0.0003260        
  4    566.8671000              0.0012980        
  5    240.4910000              0.0043920        
  6    109.6105000              0.0127000        
  7     52.5949100              0.0284240        
  8     26.0836100              0.0485330        
  9     13.2614300              0.0477520        
 10      6.7997780             -0.0166520        
 11      3.3934140             -0.1536670        
 12      1.6487660             -0.2056630        
 13      0.7762820             -0.0721800        
 14      0.2972090              0.4831410        
 15      0.1133520              0.5994720        
P   15
  1  19267.7800000              0.0000330        
  2   4560.9860000              0.0001460        
  3   1481.4360000              0.0006970        
  4    566.8671000              0.0026050        
  5    240.4910000              0.0094500        
  6    109.6105000              0.0253560        
  7     52.5949100              0.0621220        
  8     26.0836100              0.0939380        
  9     13.2614300              0.1254080        
 10      6.7997780             -0.0692560        
 11      3.3934140             -0.4148930        
 12      1.6487660             -0.5713060        
 13      0.7762820              0.9059860        
 14      0.2972090              0.6871310        
 15      0.1133520             -0.8901150        
P   1
  1      0.0415100              1.0000000        
D   7
  1    128.3920000              0.0035050        
  2     37.8938000              0.0255830        
  3     13.8798000              0.0990840        
  4      5.6254400              0.2391390        
  5      2.3353900              0.3561510        
  6      0.9351920              0.3604140        
  7      0.3469530              0.2392120        
D   7
  1    128.3920000             -0.0040650        
  2     37.8938000             -0.0297290        
  3     13.8798000             -0.1184660        
  4      5.6254400             -0.2897200        
  5      2.3353900             -0.3203480        
  6      0.9351920              0.0856800        
  7      0.3469530              0.5591230        
D   7
  1    128.3920000              0.0054720        
  2     37.8938000              0.0404550        
  3     13.8798000              0.1672810        
  4      5.6254400              0.4079820        
  5      2.3353900              0.0937800        
  6      0.9351920             -0.7662770        
  7      0.3469530             -0.0083060        
D   1
  1      0.1117230              1.0000000        
F   1
  1      3.7724000              1.0000000        
F   1
  1      0.9170000              1.0000000        
G   1
  1      2.4229000              1.0000000        


name: cc-pVTZ-DK
description: VTZ2P Douglas-Kroll Valence Triple Zeta + Polarization
elt: Ni
data:
NICKEL
S   19
  1 5045991.0000000             0.0001570        
  2 755614.2000000              0.0004530        
  3 171956.8000000              0.0012370        
  4  48704.7900000              0.0031650        
  5  15888.4100000              0.0080950        
  6   5735.1230000              0.0208040        
  7   2236.1370000              0.0525340        
  8    926.6468000              0.1221290        
  9    403.1743000              0.2376390        
 10    182.3476000              0.3303120        
 11     84.5488500              0.2459140        
 12     38.3963400              0.0722760        
 13     18.4585900              0.0635120        
 14      8.8635480              0.0618840        
 15      3.9162270              0.0094000        
 16      1.8388700             -0.0002190        
 17      0.8043620             -0.0000790        
 18      0.1697970             -0.0000050        
 19      0.0793060              0.0000030        
S   19
  1 5045991.0000000            -0.0000710        
  2 755614.2000000             -0.0002060        
  3 171956.8000000             -0.0005620        
  4  48704.7900000             -0.0014420        
  5  15888.4100000             -0.0037060        
  6   5735.1230000             -0.0096110        
  7   2236.1370000             -0.0247360        
  8    926.6468000             -0.0599030        
  9    403.1743000             -0.1273860        
 10    182.3476000             -0.2141810        
 11     84.5488500             -0.2183240        
 12     38.3963400              0.0525980        
 13     18.4585900              0.5249320        
 14      8.8635480              0.4880070        
 15      3.9162270              0.0824840        
 16      1.8388700             -0.0067950        
 17      0.8043620             -0.0006430        
 18      0.1697970             -0.0004920        
 19      0.0793060              0.0003540        
S   19
  1 5045991.0000000             0.0000190        
  2 755614.2000000              0.0000540        
  3 171956.8000000              0.0001480        
  4  48704.7900000              0.0003810        
  5  15888.4100000              0.0009810        
  6   5735.1230000              0.0025590        
  7   2236.1370000              0.0066410        
  8    926.6468000              0.0164600        
  9    403.1743000              0.0364190        
 10    182.3476000              0.0667320        
 11     84.5488500              0.0757390        
 12     38.3963400             -0.0275100        
 13     18.4585900             -0.3190460        
 14      8.8635480             -0.4449190        
 15      3.9162270              0.1724220        
 16      1.8388700              0.7155720        
 17      0.8043620              0.3791720        
 18      0.1697970              0.0199360        
 19      0.0793060             -0.0074760        
S   19
  1 5045991.0000000            -0.0000040        
  2 755614.2000000             -0.0000110        
  3 171956.8000000             -0.0000310        
  4  48704.7900000             -0.0000810        
  5  15888.4100000             -0.0002080        
  6   5735.1230000             -0.0005430        
  7   2236.1370000             -0.0014080        
  8    926.6468000             -0.0034930        
  9    403.1743000             -0.0077330        
 10    182.3476000             -0.0142230        
 11     84.5488500             -0.0161810        
 12     38.3963400              0.0058410        
 13     18.4585900              0.0715790        
 14      8.8635480              0.1037370        
 15      3.9162270             -0.0483150        
 16      1.8388700             -0.2193040        
 17      0.8043620             -0.2208170        
 18      0.1697970              0.2869700        
 19      0.0793060              0.5599800        
S   19
  1 5045991.0000000            -0.0000080        
  2 755614.2000000             -0.0000230        
  3 171956.8000000             -0.0000620        
  4  48704.7900000             -0.0001630        
  5  15888.4100000             -0.0004080        
  6   5735.1230000             -0.0011120        
  7   2236.1370000             -0.0027090        
  8    926.6468000             -0.0073090        
  9    403.1743000             -0.0144650        
 10    182.3476000             -0.0311820        
 11     84.5488500             -0.0258350        
 12     38.3963400             -0.0053470        
 13     18.4585900              0.1860150        
 14      8.8635480              0.1546580        
 15      3.9162270              0.0114970        
 16      1.8388700             -0.9445660        
 17      0.8043620              0.3343100        
 18      0.1697970              1.6418710        
 19      0.0793060             -0.7399980        
S   19
  1 5045991.0000000            -0.0000140        
  2 755614.2000000             -0.0000410        
  3 171956.8000000             -0.0001120        
  4  48704.7900000             -0.0002930        
  5  15888.4100000             -0.0007340        
  6   5735.1230000             -0.0019960        
  7   2236.1370000             -0.0048850        
  8    926.6468000             -0.0131080        
  9    403.1743000             -0.0262220        
 10    182.3476000             -0.0559520        
 11     84.5488500             -0.0480980        
 12     38.3963400             -0.0074570        
 13     18.4585900              0.3403920        
 14      8.8635480              0.3967560        
 15      3.9162270             -0.3814920        
 16      1.8388700             -1.9913800        
 17      0.8043620              2.5352790        
 18      0.1697970             -0.4325800        
 19      0.0793060             -1.4869520        
S   1
  1      0.0346770              1.0000000        
P   15
  1  21027.9200000              0.0001350        
  2   4977.5600000              0.0005920        
  3   1616.7400000              0.0026560        
  4    618.6718000              0.0103370        
  5    262.5183000              0.0347520        
  6    119.6907000              0.0967040        
  7     57.4658500              0.2106590        
  8     28.5282900              0.3338280        
  9     14.5214800              0.3302200        
 10      7.4538500              0.1528010        
 11      3.7235530              0.0201490        
 12      1.8098130             -0.0027090        
 13      0.8513360             -0.0021100        
 14      0.3234058             -0.0003520        
 15      0.1190210              0.0000360        
P   15
  1  21027.9200000             -0.0000480        
  2   4977.5600000             -0.0002120        
  3   1616.7400000             -0.0009520        
  4    618.6718000             -0.0037330        
  5    262.5183000             -0.0127070        
  6    119.6907000             -0.0363710        
  7     57.4658500             -0.0822820        
  8     28.5282900             -0.1376490        
  9     14.5214800             -0.1371660        
 10      7.4538500              0.0402870        
 11      3.7235530              0.3422120        
 12      1.8098130              0.4496570        
 13      0.8513360              0.2777700        
 14      0.3234058              0.0464150        
 15      0.1190210             -0.0029490        
P   15
  1  21027.9200000              0.0000100        
  2   4977.5600000              0.0000430        
  3   1616.7400000              0.0001930        
  4    618.6718000              0.0007600        
  5    262.5183000              0.0025820        
  6    119.6907000              0.0074280        
  7     57.4658500              0.0167980        
  8     28.5282900              0.0283950        
  9     14.5214800              0.0281620        
 10      7.4538500             -0.0111460        
 11      3.7235530             -0.0833490        
 12      1.8098130             -0.1160880        
 13      0.8513360             -0.0700600        
 14      0.3234058              0.1995030        
 15      0.1190210              0.5660100        
P   15
  1  21027.9200000              0.0000200        
  2   4977.5600000              0.0000880        
  3   1616.7400000              0.0003950        
  4    618.6718000              0.0015560        
  5    262.5183000              0.0052820        
  6    119.6907000              0.0152130        
  7     57.4658500              0.0343730        
  8     28.5282900              0.0584340        
  9     14.5214800              0.0589690        
 10      7.4538500             -0.0229370        
 11      3.7235530             -0.1978840        
 12      1.8098130             -0.2473250        
 13      0.8513360              0.0095690        
 14      0.3234058              0.5450030        
 15      0.1190210              0.5235180        
P   15
  1  21027.9200000              0.0000360        
  2   4977.5600000              0.0001550        
  3   1616.7400000              0.0007280        
  4    618.6718000              0.0027250        
  5    262.5183000              0.0097810        
  6    119.6907000              0.0265470        
  7     57.4658500              0.0644440        
  8     28.5282900              0.0994710        
  9     14.5214800              0.1302080        
 10      7.4538500             -0.0707070        
 11      3.7235530             -0.4819430        
 12      1.8098130             -0.5056470        
 13      0.8513360              1.0016490        
 14      0.3234058              0.4887760        
 15      0.1190210             -0.8793020        
P   1
  1      0.0421620              1.0000000        
D   7
  1    142.5904000              0.0033890        
  2     42.1021900              0.0249280        
  3     15.4633700              0.0970560        
  4      6.2838100              0.2338120        
  5      2.6141700              0.3466580        
  6      1.0480200              0.3517990        
  7      0.3886520              0.2521850        
D   7
  1    142.5904000             -0.0035270        
  2     42.1021900             -0.0259470        
  3     15.4633700             -0.1036600        
  4      6.2838100             -0.2523870        
  5      2.6141700             -0.2967270        
  6      1.0480200             -0.0005790        
  7      0.3886520              0.4403890        
D   7
  1    142.5904000              0.0050760        
  2     42.1021900              0.0378570        
  3     15.4633700              0.1549620        
  4      6.2838100              0.3852530        
  5      2.6141700              0.1775600        
  6      1.0480200             -0.6259900        
  7      0.3886520             -0.3418510        
D   1
  1      0.1246640              1.0000000        
F   1
  1      4.3455000              1.0000000        
F   1
  1      1.0680000              1.0000000        
G   1
  1      2.9284000              1.0000000        


name: cc-pVTZ-DK
description: VTZ2P Douglas-Kroll Valence Triple Zeta + Polarization
elt: Cu
data:
COPPER
S   19
  1 5430321.0000000             0.0001580        
  2 813166.5000000              0.0004520        
  3 185054.4000000              0.0012290        
  4  52414.6600000              0.0031200        
  5  17098.6800000              0.0079120        
  6   6171.9940000              0.0201420        
  7   2406.4810000              0.0504620        
  8    997.2584000              0.1166160        
  9    433.9289000              0.2255430        
 10    196.2869000              0.3101520        
 11     91.0428000              0.2261390        
 12     41.3842500              0.0769920        
 13     19.9327800              0.1087550        
 14      9.5818910              0.1029690        
 15      4.2345160              0.0162990        
 16      1.9858140             -0.0005390        
 17      0.8670830             -0.0000020        
 18      0.1813390             -0.0000380        
 19      0.0836570              0.0000260        
S   19
  1 5430321.0000000            -0.0000890        
  2 813166.5000000             -0.0002550        
  3 185054.4000000             -0.0006940        
  4  52414.6600000             -0.0017660        
  5  17098.6800000             -0.0044980        
  6   6171.9940000             -0.0115450        
  7   2406.4810000             -0.0294180        
  8    997.2584000             -0.0705170        
  9    433.9289000             -0.1477880        
 10    196.2869000             -0.2423800        
 11     91.0428000             -0.2390600        
 12     41.3842500              0.0476930        
 13     19.9327800              0.5194670        
 14      9.5818910              0.4781070        
 15      4.2345160              0.0805580        
 16      1.9858140             -0.0056280        
 17      0.8670830             -0.0000720        
 18      0.1813390             -0.0004330        
 19      0.0836570              0.0003080        
S   19
  1 5430321.0000000             0.0000200        
  2 813166.5000000              0.0000570        
  3 185054.4000000              0.0001560        
  4  52414.6600000              0.0003990        
  5  17098.6800000              0.0010190        
  6   6171.9940000              0.0026360        
  7   2406.4810000              0.0067920        
  8    997.2584000              0.0167720        
  9    433.9289000              0.0370240        
 10    196.2869000              0.0678320        
 11     91.0428000              0.0767680        
 12     41.3842500             -0.0285880        
 13     19.9327800             -0.3262330        
 14      9.5818910             -0.4451460        
 15      4.2345160              0.1815320        
 16      1.9858140              0.7219160        
 17      0.8670830              0.3686320        
 18      0.1813390              0.0163950        
 19      0.0836570             -0.0055260        
S   19
  1 5430321.0000000            -0.0000040        
  2 813166.5000000             -0.0000120        
  3 185054.4000000             -0.0000320        
  4  52414.6600000             -0.0000820        
  5  17098.6800000             -0.0002080        
  6   6171.9940000             -0.0005390        
  7   2406.4810000             -0.0013880        
  8    997.2584000             -0.0034300        
  9    433.9289000             -0.0075790        
 10    196.2869000             -0.0139340        
 11     91.0428000             -0.0158250        
 12     41.3842500              0.0058910        
 13     19.9327800              0.0706480        
 14      9.5818910              0.1003460        
 15      4.2345160             -0.0494610        
 16      1.9858140             -0.2136180        
 17      0.8670830             -0.2122030        
 18      0.1813390              0.2812990        
 19      0.0836570              0.5560680        
S   19
  1 5430321.0000000            -0.0000080        
  2 813166.5000000             -0.0000220        
  3 185054.4000000             -0.0000590        
  4  52414.6600000             -0.0001520        
  5  17098.6800000             -0.0003780        
  6   6171.9940000             -0.0010180        
  7   2406.4810000             -0.0024730        
  8    997.2584000             -0.0066140        
  9    433.9289000             -0.0131520        
 10    196.2869000             -0.0280830        
 11     91.0428000             -0.0236610        
 12     41.3842500             -0.0036580        
 13     19.9327800              0.1674510        
 14      9.5818910              0.1378490        
 15      4.2345160              0.0016950        
 16      1.9858140             -0.7988610        
 17      0.8670830              0.2036390        
 18      0.1813390              1.5496910        
 19      0.0836570             -0.4950240        
S   19
  1 5430321.0000000            -0.0000150        
  2 813166.5000000             -0.0000440        
  3 185054.4000000             -0.0001200        
  4  52414.6600000             -0.0003110        
  5  17098.6800000             -0.0007720        
  6   6171.9940000             -0.0020890        
  7   2406.4810000             -0.0050510        
  8    997.2584000             -0.0135990        
  9    433.9289000             -0.0268750        
 10    196.2869000             -0.0581380        
 11     91.0428000             -0.0483310        
 12     41.3842500             -0.0099160        
 13     19.9327800              0.3623720        
 14      9.5818910              0.3778960        
 15      4.2345160             -0.3717270        
 16      1.9858140             -1.9911290        
 17      0.8670830              2.4682360        
 18      0.1813390             -0.2144460        
 19      0.0836570             -1.6347140        
S   1
  1      0.0362670              1.0000000        
P   15
  1  22760.5700000              0.0001410        
  2   5387.6790000              0.0006050        
  3   1749.9450000              0.0026840        
  4    669.6653000              0.0103700        
  5    284.1948000              0.0347760        
  6    129.6077000              0.0967260        
  7     62.2541500              0.2108770        
  8     30.9296400              0.3341900        
  9     15.7582700              0.3295570        
 10      8.0942110              0.1519250        
 11      4.0469210              0.0205070        
 12      1.9678690             -0.0019660        
 13      0.9252950             -0.0016310        
 14      0.3510930             -0.0002570        
 15      0.1267990              0.0000250        
P   15
  1  22760.5700000             -0.0000510        
  2   5387.6790000             -0.0002200        
  3   1749.9450000             -0.0009770        
  4    669.6653000             -0.0038030        
  5    284.1948000             -0.0129160        
  6    129.6077000             -0.0369520        
  7     62.2541500             -0.0837090        
  8     30.9296400             -0.1400770        
  9     15.7582700             -0.1384230        
 10      8.0942110              0.0434860        
 11      4.0469210              0.3460780        
 12      1.9678690              0.4512300        
 13      0.9252950              0.2726370        
 14      0.3510930              0.0424640        
 15      0.1267990             -0.0027690        
P   15
  1  22760.5700000              0.0000100        
  2   5387.6790000              0.0000430        
  3   1749.9450000              0.0001900        
  4    669.6653000              0.0007430        
  5    284.1948000              0.0025150        
  6    129.6077000              0.0072460        
  7     62.2541500              0.0163750        
  8     30.9296400              0.0277810        
  9     15.7582700              0.0271200        
 10      8.0942110             -0.0112260        
 11      4.0469210             -0.0814740        
 12      1.9678690             -0.1106180        
 13      0.9252950             -0.0686690        
 14      0.3510930              0.1921350        
 15      0.1267990              0.5631450        
P   15
  1  22760.5700000              0.0000190        
  2   5387.6790000              0.0000830        
  3   1749.9450000              0.0003680        
  4    669.6653000              0.0014470        
  5    284.1948000              0.0048660        
  6    129.6077000              0.0141210        
  7     62.2541500              0.0316400        
  8     30.9296400              0.0545670        
  9     15.7582700              0.0530450        
 10      8.0942110             -0.0199460        
 11      4.0469210             -0.1835090        
 12      1.9678690             -0.2173260        
 13      0.9252950             -0.0282170        
 14      0.3510930              0.5289300        
 15      0.1267990              0.5575620        
P   15
  1  22760.5700000              0.0000390        
  2   5387.6790000              0.0001630        
  3   1749.9450000              0.0007550        
  4    669.6653000              0.0027930        
  5    284.1948000              0.0100480        
  6    129.6077000              0.0271150        
  7     62.2541500              0.0663200        
  8     30.9296400              0.1015580        
  9     15.7582700              0.1351580        
 10      8.0942110             -0.0778810        
 11      4.0469210             -0.4991720        
 12      1.9678690             -0.4817090        
 13      0.9252950              0.9798640        
 14      0.3510930              0.5025340        
 15      0.1267990             -0.8457230        
P   1
  1      0.0441620              1.0000000        
D   7
  1    177.6850000              0.0027090        
  2     52.5404000              0.0206850        
  3     19.4769000              0.0836260        
  4      8.0014600              0.2129230        
  5      3.3989200              0.3355660        
  6      1.4053800              0.3581080        
  7      0.5453300              0.2664410        
D   7
  1    177.6850000             -0.0033770        
  2     52.5404000             -0.0258190        
  3     19.4769000             -0.1072400        
  4      8.0014600             -0.2805410        
  5      3.3989200             -0.3487320        
  6      1.4053800              0.0216090        
  7      0.5453300              0.4916130        
D   7
  1    177.6850000              0.0041660        
  2     52.5404000              0.0328750        
  3     19.4769000              0.1373620        
  4      8.0014600              0.3890960        
  5      3.3989200              0.1757660        
  6      1.4053800             -0.6834990        
  7      0.5453300             -0.2673480        
D   1
  1      0.1881100              1.0000000        
F   1
  1      5.0286000              1.0000000        
F   1
  1      1.2594000              1.0000000        
G   1
  1      3.4097000              1.0000000        


name: cc-pVTZ-DK
description: VTZ2P Douglas-Kroll Valence Triple Zeta + Polarization
elt: Zn
data:
ZINC
S   19
  1 5820021.0000000             0.0001810        
  2 871523.4000000              0.0005170        
  3 198335.0000000              0.0013980        
  4  56176.3100000              0.0035270        
  5  18325.8200000              0.0088750        
  6   6614.9550000              0.0224190        
  7   2579.1990000              0.0558730        
  8   1068.8490000              0.1290790        
  9    465.1045000              0.2514150        
 10    210.4130000              0.3533410        
 11     97.6162900              0.2703150        
 12     44.3802000              0.0652220        
 13     21.4230800             -0.0012330        
 14     10.3089100              0.0017950        
 15      4.5536450             -0.0008220        
 16      2.1328210              0.0003480        
 17      0.9296970             -0.0001310        
 18      0.1921470              0.0000440        
 19      0.0875950             -0.0000340        
S   19
  1 5820021.0000000            -0.0000570        
  2 871523.4000000             -0.0001630        
  3 198335.0000000             -0.0004420        
  4  56176.3100000             -0.0011190        
  5  18325.8200000             -0.0028350        
  6   6614.9550000             -0.0072510        
  7   2579.1990000             -0.0185310        
  8   1068.8490000             -0.0451410        
  9    465.1045000             -0.0983060        
 10    210.4130000             -0.1733870        
 11     97.6162900             -0.1868340        
 12     44.3802000              0.0652290        
 13     21.4230800              0.5320160        
 14     10.3089100              0.4835280        
 15      4.5536450              0.0815730        
 16      2.1328210             -0.0016950        
 17      0.9296970              0.0018290        
 18      0.1921470             -0.0003330        
 19      0.0875950              0.0002590        
S   19
  1 5820021.0000000             0.0000220        
  2 871523.4000000              0.0000620        
  3 198335.0000000              0.0001680        
  4  56176.3100000              0.0004250        
  5  18325.8200000              0.0010750        
  6   6614.9550000              0.0027590        
  7   2579.1990000              0.0070580        
  8   1068.8490000              0.0173590        
  9    465.1045000              0.0381960        
 10    210.4130000              0.0698660        
 11     97.6162900              0.0785690        
 12     44.3802000             -0.0304770        
 13     21.4230800             -0.3364460        
 14     10.3089100             -0.4468440        
 15      4.5536450              0.1925050        
 16      2.1328210              0.7303950        
 17      0.9296970              0.3557030        
 18      0.1921470              0.0116980        
 19      0.0875950             -0.0051350        
S   19
  1 5820021.0000000             0.0000040        
  2 871523.4000000              0.0000130        
  3 198335.0000000              0.0000340        
  4  56176.3100000              0.0000860        
  5  18325.8200000              0.0002180        
  6   6614.9550000              0.0005590        
  7   2579.1990000              0.0014290        
  8   1068.8490000              0.0035270        
  9    465.1045000              0.0077430        
 10    210.4130000              0.0143060        
 11     97.6162900              0.0160020        
 12     44.3802000             -0.0059930        
 13     21.4230800             -0.0737340        
 14     10.3089100             -0.0999900        
 15      4.5536450              0.0503190        
 16      2.1328210              0.2265840        
 17      0.9296970              0.2085750        
 18      0.1921470             -0.3426590        
 19      0.0875950             -0.5537360        
S   19
  1 5820021.0000000            -0.0000120        
  2 871523.4000000             -0.0000340        
  3 198335.0000000             -0.0000920        
  4  56176.3100000             -0.0002360        
  5  18325.8200000             -0.0005790        
  6   6614.9550000             -0.0015670        
  7   2579.1990000             -0.0037110        
  8   1068.8490000             -0.0101370        
  9    465.1045000             -0.0194410        
 10    210.4130000             -0.0435090        
 11     97.6162900             -0.0328970        
 12     44.3802000             -0.0116540        
 13     21.4230800              0.2749530        
 14     10.3089100              0.1925200        
 15      4.5536450             -0.0335680        
 16      2.1328210             -1.3737440        
 17      0.9296970              0.8944720        
 18      0.1921470              1.6527400        
 19      0.0875950             -1.4224370        
S   19
  1 5820021.0000000             0.0000170        
  2 871523.4000000              0.0000490        
  3 198335.0000000              0.0001340        
  4  56176.3100000              0.0003390        
  5  18325.8200000              0.0008570        
  6   6614.9550000              0.0022090        
  7   2579.1990000              0.0056230        
  8   1068.8490000              0.0139690        
  9    465.1045000              0.0305880        
 10    210.4130000              0.0573300        
 11     97.6162900              0.0639310        
 12     44.3802000             -0.0204920        
 13     21.4230800             -0.3330400        
 14     10.3089100             -0.5856710        
 15      4.5536450              1.0017280        
 16      2.1328210              1.4209710        
 17      0.9296970             -2.7308990        
 18      0.1921470              2.1871820        
 19      0.0875950             -0.7685880        
S   1
  1      0.0377020              1.0000000        
P   15
  1  24411.9800000              0.0001480        
  2   5778.5180000              0.0006240        
  3   1876.8620000              0.0027340        
  4    718.2361000              0.0104840        
  5    304.8327000              0.0350530        
  6    139.0453000              0.0973300        
  7     66.8041700              0.2119030        
  8     33.2069900              0.3346760        
  9     16.9281600              0.3270750        
 10      8.6962290              0.1493830        
 11      4.3505100              0.0223870        
 12      2.1165230              0.0015560        
 13      0.9953870              0.0004640        
 14      0.3756390              0.0000630        
 15      0.1338850             -0.0000010        
P   15
  1  24411.9800000             -0.0000560        
  2   5778.5180000             -0.0002340        
  3   1876.8620000             -0.0010300        
  4    718.2361000             -0.0039780        
  5    304.8327000             -0.0134720        
  6    139.0453000             -0.0384660        
  7     66.8041700             -0.0870240        
  8     33.2069900             -0.1450960        
  9     16.9281600             -0.1409790        
 10      8.6962290              0.0487290        
 11      4.3505100              0.3525240        
 12      2.1165230              0.4523900        
 13      0.9953870              0.2638190        
 14      0.3756390              0.0375680        
 15      0.1338850             -0.0024730        
P   15
  1  24411.9800000              0.0000100        
  2   5778.5180000              0.0000430        
  3   1876.8620000              0.0001900        
  4    718.2361000              0.0007360        
  5    304.8327000              0.0024840        
  6    139.0453000              0.0071540        
  7     66.8041700              0.0161380        
  8     33.2069900              0.0273510        
  9     16.9281600              0.0261260        
 10      8.6962290             -0.0120490        
 11      4.3505100             -0.0803120        
 12      2.1165230             -0.1062960        
 13      0.9953870             -0.0655610        
 14      0.3756390              0.1890660        
 15      0.1338850              0.5603730        
P   15
  1  24411.9800000              0.0000180        
  2   5778.5180000              0.0000750        
  3   1876.8620000              0.0003250        
  4    718.2361000              0.0012800        
  5    304.8327000              0.0042430        
  6    139.0453000              0.0124460        
  7     66.8041700              0.0274640        
  8     33.2069900              0.0481910        
  9     16.9281600              0.0439460        
 10      8.6962290             -0.0163250        
 11      4.3505100             -0.1593140        
 12      2.1165230             -0.1756920        
 13      0.9953870             -0.0747810        
 14      0.3756390              0.4845400        
 15      0.1338850              0.6147430        
P   15
  1  24411.9800000              0.0000410        
  2   5778.5180000              0.0001670        
  3   1876.8620000              0.0007710        
  4    718.2361000              0.0028180        
  5    304.8327000              0.0101770        
  6    139.0453000              0.0271970        
  7     66.8041700              0.0671150        
  8     33.2069900              0.1011510        
  9     16.9281600              0.1367580        
 10      8.6962290             -0.0879950        
 11      4.3505100             -0.4887840        
 12      2.1165230             -0.4709370        
 13      0.9953870              0.9185580        
 14      0.3756390              0.5839990        
 15      0.1338850             -0.8293170        
P   1
  1      0.0460230              1.0000000        
D   7
  1    210.9473000              0.0023530        
  2     62.3915100              0.0183840        
  3     23.2648200              0.0762730        
  4      9.6233420              0.2008410        
  5      4.1394180              0.3289980        
  6      1.7440790              0.3618560        
  7      0.6953250              0.2736090        
D   7
  1    210.9473000              0.0032890        
  2     62.3915100              0.0258270        
  3     23.2648200              0.1099330        
  4      9.6233420              0.3017170        
  5      4.1394180              0.3873400        
  6      1.7440790             -0.0503910        
  7      0.6953250             -0.5385100        
D   7
  1    210.9473000              0.0037910        
  2     62.3915100              0.0316320        
  3     23.2648200              0.1315250        
  4      9.6233420              0.4230030        
  5      4.1394180              0.1330790        
  6      1.7440790             -0.7721180        
  7      0.6953250             -0.1077820        
D   1
  1      0.2487240              1.0000000        
F   1
  1      5.7344000              1.0000000        
F   1
  1      1.4615000              1.0000000        
G   1
  1      4.0243000              1.0000000        


name: cc-pVTZ-DK
description: VTZ2P Douglas-Kroll Valence Triple Zeta + Polarization
elt: Ga
data:
GALLIUM
S   18
  1 6558157.3000000             0.0001824        
  2 982025.3400000              0.0005177        
  3 223467.6900000              0.0013908        
  4  63288.2910000              0.0034763        
  5  20642.9400000              0.0086475        
  6   7450.5224000              0.0215824        
  7   2905.0744000              0.0533192        
  8   1204.2100000              0.1230467        
  9    524.3045400              0.2418302        
 10    237.4656300              0.3486610        
 11    110.5786600              0.2813675        
 12     51.3746240              0.0770693        
 13     24.4408460              0.0007199        
 14     11.7685910              0.0015065        
 15      5.3421190             -0.0007046        
 16      2.4950360              0.0002904        
 17      1.0987730             -0.0001217        
 18      0.2601800              0.0000481        
S   18
  1 6558157.3000000            -0.0000578        
  2 982025.3400000             -0.0001642        
  3 223467.6900000             -0.0004421        
  4  63288.2910000             -0.0011088        
  5  20642.9400000             -0.0027770        
  6   7450.5224000             -0.0070113        
  7   2905.0744000             -0.0177630        
  8   1204.2100000             -0.0430671        
  9    524.3045400             -0.0942979        
 10    237.4656300             -0.1682333        
 11    110.5786600             -0.1920558        
 12     51.3746240              0.0322130        
 13     24.4408460              0.5067776        
 14     11.7685910              0.5119130        
 15      5.3421190              0.1013758        
 16      2.4950360             -0.0005193        
 17      1.0987730              0.0019537        
 18      0.2601800             -0.0004132        
S   18
  1 6558157.3000000             0.0000221        
  2 982025.3400000              0.0000629        
  3 223467.6900000              0.0001693        
  4  63288.2910000              0.0004248        
  5  20642.9400000              0.0010643        
  6   7450.5224000              0.0026936        
  7   2905.0744000              0.0068360        
  8   1204.2100000              0.0167106        
  9    524.3045400              0.0370063        
 10    237.4656300              0.0682233        
 11    110.5786600              0.0815400        
 12     51.3746240             -0.0154147        
 13     24.4408460             -0.3146048        
 14     11.7685910             -0.4706133        
 15      5.3421190              0.1204001        
 16      2.4950360              0.7334175        
 17      1.0987730              0.4050372        
 18      0.2601800              0.0170135        
S   18
  1 6558157.3000000             0.0000052        
  2 982025.3400000              0.0000147        
  3 223467.6900000              0.0000397        
  4  63288.2910000              0.0000996        
  5  20642.9400000              0.0002495        
  6   7450.5224000              0.0006322        
  7   2905.0744000              0.0016023        
  8   1204.2100000              0.0039305        
  9    524.3045400              0.0086872        
 10    237.4656300              0.0161696        
 11    110.5786600              0.0192508        
 12     51.3746240             -0.0033586        
 13     24.4408460             -0.0797249        
 14     11.7685910             -0.1225769        
 15      5.3421190              0.0371685        
 16      2.4950360              0.2620987        
 17      1.0987730              0.2685482        
 18      0.2601800             -0.3443144        
S   1
  1      0.1270790              1.0000000        
S   1
  1      0.0544080              1.0000000        
P   11
  1   8050.1674000              0.0006619        
  2   1907.5361000              0.0035945        
  3    618.6274600              0.0170446        
  4    235.3241700              0.0632707        
  5     98.8996460              0.1772908        
  6     44.2482150              0.3424640        
  7     20.6174290              0.3863045        
  8      9.7805160              0.1801710        
  9      4.4412380              0.0212797        
 10      1.9640450              0.0011143        
 11      0.8335780              0.0002755        
P   11
  1   8050.1674000             -0.0002524        
  2   1907.5361000             -0.0013735        
  3    618.6274600             -0.0065895        
  4    235.3241700             -0.0248868        
  5     98.8996460             -0.0727876        
  6     44.2482150             -0.1475798        
  7     20.6174290             -0.1746522        
  8      9.7805160              0.0426881        
  9      4.4412380              0.4273103        
 10      1.9640450              0.4915516        
 11      0.8335780              0.1752072        
P   11
  1   8050.1674000              0.0000415        
  2   1907.5361000              0.0002216        
  3    618.6274600              0.0010930        
  4    235.3241700              0.0040097        
  5     98.8996460              0.0122163        
  6     44.2482150              0.0236719        
  7     20.6174290              0.0310083        
  8      9.7805160             -0.0149185        
  9      4.4412380             -0.0737916        
 10      1.9640450             -0.1263741        
 11      0.8335780              0.0201886        
P   1
  1      0.1934450              1.0000000        
P   1
  1      0.0561170              1.0000000        
D   7
  1    244.1474100              0.0021494        
  2     73.0675950              0.0166893        
  3     27.5920810              0.0702491        
  4     11.5465180              0.1900439        
  5      5.0486280              0.3240155        
  6      2.1784650              0.3667258        
  7      0.9002530              0.2772840        
D   1
  1      0.3373270              1.0000000        
D   1
  1      0.1169000              1.0000000        
F   1
  1      0.2881000              1.0000000        


name: cc-pVTZ-DK
description: VTZ2P Douglas-Kroll Valence Triple Zeta + Polarization
elt: Ge
data:
GERMANIUM
S   18
  1 7447966.8000000             0.0001822        
  2 1115318.2000000             0.0005145        
  3 253842.6500000              0.0013723        
  4  71915.2850000              0.0033954        
  5  23470.1810000              0.0083389        
  6   8477.4918000              0.0205281        
  7   3308.3908000              0.0501963        
  8   1372.6054000              0.1156725        
  9    598.2200700              0.2297711        
 10    271.3860200              0.3414376        
 11    126.9779500              0.2937718        
 12     60.2220650              0.0938429        
 13     28.0185820              0.0038664        
 14     13.5175220              0.0009616        
 15      6.3094060             -0.0004521        
 16      2.9045340              0.0001645        
 17      1.2875560             -0.0000840        
 18      0.1677320             -0.0000244        
S   18
  1 7447966.8000000            -0.0000580        
  2 1115318.2000000            -0.0001640        
  3 253842.6500000             -0.0004384        
  4  71915.2850000             -0.0010881        
  5  23470.1810000             -0.0026914        
  6   8477.4918000             -0.0066952        
  7   3308.3908000             -0.0167882        
  8   1372.6054000             -0.0404722        
  9    598.2200700             -0.0891604        
 10    271.3860200             -0.1612429        
 11    126.9779500             -0.1961658        
 12     60.2220650             -0.0038005        
 13     28.0185820              0.4725566        
 14     13.5175220              0.5395629        
 15      6.3094060              0.1279342        
 16      2.9045340              0.0019020        
 17      1.2875560              0.0018952        
 18      0.1677320              0.0002892        
S   18
  1 7447966.8000000             0.0000224        
  2 1115318.2000000             0.0000634        
  3 253842.6500000              0.0001696        
  4  71915.2850000              0.0004212        
  5  23470.1810000              0.0010425        
  6   8477.4918000              0.0025978        
  7   3308.3908000              0.0065314        
  8   1372.6054000              0.0158480        
  9    598.2200700              0.0353532        
 10    271.3860200              0.0657738        
 11    126.9779500              0.0840395        
 12     60.2220650              0.0009567        
 13     28.0185820             -0.2872865        
 14     13.5175220             -0.4905444        
 15      6.3094060              0.0442811        
 16      2.9045340              0.7311889        
 17      1.2875560              0.4540673        
 18      0.1677320             -0.0079970        
S   18
  1 7447966.8000000            -0.0000058        
  2 1115318.2000000            -0.0000164        
  3 253842.6500000             -0.0000437        
  4  71915.2850000             -0.0001087        
  5  23470.1810000             -0.0002689        
  6   8477.4918000             -0.0006707        
  7   3308.3908000             -0.0016844        
  8   1372.6054000             -0.0040999        
  9    598.2200700             -0.0091328        
 10    271.3860200             -0.0171394        
 11    126.9779500             -0.0218565        
 12     60.2220650             -0.0005639        
 13     28.0185820              0.0798817        
 14     13.5175220              0.1411329        
 15      6.3094060             -0.0165838        
 16      2.9045340             -0.2856200        
 17      1.2875560             -0.3225600        
 18      0.1677320              0.6018451        
S   1
  1      0.3365520              1.0000000        
S   1
  1      0.0710690              1.0000000        
P   11
  1   6979.5982000              0.0009045        
  2   1654.1648000              0.0050290        
  3    536.0286500              0.0237671        
  4    203.5371300              0.0858706        
  5     85.2375300              0.2264530        
  6     37.8419620              0.3905711        
  7     17.4065120              0.3511618        
  8      7.8814920              0.1041795        
  9      3.5332130              0.0035988        
 10      1.5214730              0.0018474        
 11      0.1990930              0.0001817        
P   11
  1   6979.5982000             -0.0003498        
  2   1654.1648000             -0.0019583        
  3    536.0286500             -0.0093328        
  4    203.5371300             -0.0346945        
  5     85.2375300             -0.0952765        
  6     37.8419620             -0.1759310        
  7     17.4065120             -0.1421821        
  8      7.8814920              0.1934415        
  9      3.5332130              0.5274765        
 10      1.5214730              0.3907285        
 11      0.1990930             -0.0030657        
P   11
  1   6979.5982000              0.0000691        
  2   1654.1648000              0.0003855        
  3    536.0286500              0.0018477        
  4    203.5371300              0.0068529        
  5     85.2375300              0.0190290        
  6     37.8419620              0.0350960        
  7     17.4065120              0.0284902        
  8      7.8814920             -0.0487535        
  9      3.5332130             -0.1254442        
 10      1.5214730             -0.1183218        
 11      0.1990930              0.5732381        
P   1
  1      0.5627040              1.0000000        
P   1
  1      0.0670310              1.0000000        
D   7
  1    282.2391100              0.0019567        
  2     84.5499570              0.0153772        
  3     32.0736560              0.0660168        
  4     13.4974950              0.1829713        
  5      5.9585500              0.3214080        
  6      2.6107880              0.3717620        
  7      1.1039870              0.2779650        
D   1
  1      0.4240490              1.0000000        
D   1
  1      0.1520000              1.0000000        
F   1
  1      0.3458000              1.0000000        


name: cc-pVTZ-DK
description: VTZ2P Douglas-Kroll Valence Triple Zeta + Polarization
elt: As
data:
ARSENIC
S   18
  1 8482339.6000000             0.0001814        
  2 1270150.9000000             0.0005093        
  3 289056.9600000              0.0013499        
  4  81879.8490000              0.0033092        
  5  26716.5640000              0.0080346        
  6   9647.5842000              0.0195352        
  7   3764.1195000              0.0473155        
  8   1561.5656000              0.1088432        
  9    680.8146700              0.2182405        
 10    309.2411900              0.3332698        
 11    145.2573600              0.3043071        
 12     69.7390480              0.1117021        
 13     31.7703250              0.0074635        
 14     15.3917570              0.0003041        
 15      7.3415260             -0.0001422        
 16      3.3237160              0.0000195        
 17      1.4858670             -0.0000332        
 18      0.2115000             -0.0000085        
S   18
  1 8482339.6000000            -0.0000580        
  2 1270150.9000000            -0.0001631        
  3 289056.9600000             -0.0004333        
  4  81879.8490000             -0.0010653        
  5  26716.5640000             -0.0026056        
  6   9647.5842000             -0.0063963        
  7   3764.1195000             -0.0158830        
  8   1561.5656000             -0.0380819        
  9    680.8146700             -0.0843060        
 10    309.2411900             -0.1543663        
 11    145.2573600             -0.1981132        
 12     69.7390480             -0.0337610        
 13     31.7703250              0.4376385        
 14     15.3917570              0.5586616        
 15      7.3415260              0.1557008        
 16      3.3237160              0.0050104        
 17      1.4858670              0.0016803        
 18      0.2115000              0.0002287        
S   18
  1 8482339.6000000             0.0000227        
  2 1270150.9000000             0.0000638        
  3 289056.9600000              0.0001694        
  4  81879.8490000              0.0004166        
  5  26716.5640000              0.0010201        
  6   9647.5842000              0.0025068        
  7   3764.1195000              0.0062465        
  8   1561.5656000              0.0150513        
  9    680.8146700              0.0337751        
 10    309.2411900              0.0633668        
 11    145.2573600              0.0855997        
 12     69.7390480              0.0145510        
 13     31.7703250             -0.2621609        
 14     15.3917570             -0.5018263        
 15      7.3415260             -0.0199556        
 16      3.3237160              0.7227635        
 17      1.4858670              0.4940981        
 18      0.2115000             -0.0087975        
S   18
  1 8482339.6000000            -0.0000063        
  2 1270150.9000000            -0.0000176        
  3 289056.9600000             -0.0000469        
  4  81879.8490000             -0.0001153        
  5  26716.5640000             -0.0002822        
  6   9647.5842000             -0.0006943        
  7   3764.1195000             -0.0017284        
  8   1561.5656000             -0.0041768        
  9    680.8146700             -0.0093622        
 10    309.2411900             -0.0177065        
 11    145.2573600             -0.0239034        
 12     69.7390480             -0.0044050        
 13     31.7703250              0.0780718        
 14     15.3917570              0.1552442        
 15      7.3415260              0.0042661        
 16      3.3237160             -0.3025579        
 17      1.4858670             -0.3691550        
 18      0.2115000              0.6330380        
S   1
  1      0.4210860              1.0000000        
S   1
  1      0.0889740              1.0000000        
P   11
  1   7423.8614000              0.0009384        
  2   1759.5166000              0.0051335        
  3    570.2291600              0.0241004        
  4    216.5799700              0.0867645        
  5     90.7342520              0.2282785        
  6     40.3087910              0.3920317        
  7     18.5555020              0.3489380        
  8      8.3965430              0.1018376        
  9      3.7673670              0.0032734        
 10      1.6297010              0.0017729        
 11      0.2225030              0.0002170        
P   11
  1   7423.8614000             -0.0003685        
  2   1759.5166000             -0.0020300        
  3    570.2291600             -0.0096103        
  4    216.5799700             -0.0356190        
  5     90.7342520             -0.0976159        
  6     40.3087910             -0.1797007        
  7     18.5555020             -0.1414878        
  8      8.3965430              0.2043706        
  9      3.7673670              0.5378050        
 10      1.6297010              0.3787516        
 11      0.2225030             -0.0050337        
P   11
  1   7423.8614000              0.0000819        
  2   1759.5166000              0.0004522        
  3    570.2291600              0.0021404        
  4    216.5799700              0.0079708        
  5     90.7342520              0.0219110        
  6     40.3087910              0.0408193        
  7     18.5555020              0.0311087        
  8      8.3965430             -0.0566984        
  9      3.7673670             -0.1517685        
 10      1.6297010             -0.1209054        
 11      0.2225030              0.5825264        
P   1
  1      0.5682630              1.0000000        
P   1
  1      0.0804050              1.0000000        
D   7
  1    321.0196100              0.0018205        
  2     96.2493050              0.0144200        
  3     36.6449630              0.0628910        
  4     15.4939650              0.1776357        
  5      6.8911380              0.3195802        
  6      3.0548310              0.3760963        
  7      1.3142410              0.2777705        
D   1
  1      0.5134300              1.0000000        
D   1
  1      0.1877000              1.0000000        
F   1
  1      0.4158000              1.0000000        


name: cc-pVTZ-DK
description: VTZ2P Douglas-Kroll Valence Triple Zeta + Polarization
elt: Se
data:
SELENIUM
S   18
  1 9563600.0000000             0.0001815        
  2 1432100.0000000             0.0005072        
  3 325910.0000000              0.0013364        
  4  92312.0000000              0.0032489        
  5  30116.0000000              0.0078065        
  6  10872.0000000              0.0187662        
  7   4240.1000000              0.0450378        
  8   1758.4000000              0.1033311        
  9    766.5900000              0.2086431        
 10    348.4300000              0.3256504        
 11    164.0300000              0.3122347        
 12     79.1420000              0.1276132        
 13     35.5240000              0.0108689        
 14     17.3050000             -0.0003179        
 15      8.3784000              0.0001515        
 16      3.7405000             -0.0001126        
 17      1.6890000              0.0000193        
 18      0.2552000              0.0000078        
S   18
  1 9563600.0000000            -0.0000583        
  2 1432100.0000000            -0.0001632        
  3 325910.0000000             -0.0004309        
  4  92312.0000000             -0.0010506        
  5  30116.0000000             -0.0025433        
  6  10872.0000000             -0.0061693        
  7   4240.1000000             -0.0151746        
  8   1758.4000000             -0.0361885        
  9    766.5900000             -0.0803593        
 10    348.4300000             -0.1486631        
 11    164.0300000             -0.1986525        
 12     79.1420000             -0.0561847        
 13     35.5240000              0.4068012        
 14     17.3050000              0.5698914        
 15      8.3784000              0.1812122        
 16      3.7405000              0.0082158        
 17      1.6890000              0.0013742        
 18      0.2552000              0.0001505        
S   18
  1 9563600.0000000             0.0000230        
  2 1432100.0000000             0.0000644        
  3 325910.0000000              0.0001702        
  4  92312.0000000              0.0004151        
  5  30116.0000000              0.0010061        
  6  10872.0000000              0.0024421        
  7   4240.1000000              0.0060313        
  8   1758.4000000              0.0144378        
  9    766.5900000              0.0325228        
 10    348.4300000              0.0614561        
 11    164.0300000              0.0865575        
 12     79.1420000              0.0248076        
 13     35.5240000             -0.2417734        
 14     17.3050000             -0.5071051        
 15      8.3784000             -0.0705122        
 16      3.7405000              0.7124484        
 17      1.6890000              0.5243640        
 18      0.2552000             -0.0090846        
S   18
  1 9563600.0000000            -0.0000068        
  2 1432100.0000000            -0.0000189        
  3 325910.0000000             -0.0000500        
  4  92312.0000000             -0.0001218        
  5  30116.0000000             -0.0002952        
  6  10872.0000000             -0.0007173        
  7   4240.1000000             -0.0017698        
  8   1758.4000000             -0.0042488        
  9    766.5900000             -0.0095602        
 10    348.4300000             -0.0182088        
 11    164.0300000             -0.0256376        
 12     79.1420000             -0.0077371        
 13     35.5240000              0.0763568        
 14     17.3050000              0.1665265        
 15      8.3784000              0.0231891        
 16      3.7405000             -0.3177954        
 17      1.6890000             -0.4107046        
 18      0.2552000              0.6587538        
S   1
  1      0.5092700              1.0000000        
S   1
  1      0.1065100              1.0000000        
P   11
  1   8004.3000000              0.0009538        
  2   1896.9000000              0.0051209        
  3    614.7100000              0.0238842        
  4    233.5000000              0.0858778        
  5     97.8560000              0.2265220        
  6     43.5140000              0.3907699        
  7     20.0630000              0.3503244        
  8      9.1127000              0.1040171        
  9      4.1063000              0.0035839        
 10      1.7949000              0.0017229        
 11      0.2461500              0.0002075        
P   11
  1   8004.3000000             -0.0003800        
  2   1896.9000000             -0.0020543        
  3    614.7100000             -0.0096649        
  4    233.5000000             -0.0357646        
  5     97.8560000             -0.0983211        
  6     43.5140000             -0.1817616        
  7     20.0630000             -0.1446877        
  8      9.1127000              0.2032703        
  9      4.1063000              0.5420519        
 10      1.7949000              0.3761997        
 11      0.2461500             -0.0046557        
P   11
  1   8004.3000000              0.0000916        
  2   1896.9000000              0.0004972        
  3    614.7100000              0.0023319        
  4    233.5000000              0.0087023        
  5     97.8560000              0.0239008        
  6     43.5140000              0.0450259        
  7     20.0630000              0.0340628        
  8      9.1127000             -0.0608309        
  9      4.1063000             -0.1715980        
 10      1.7949000             -0.1243598        
 11      0.2461500              0.5743533        
P   1
  1      0.6243200              1.0000000        
P   1
  1      0.0889170              1.0000000        
D   7
  1    361.8500000              0.0017093        
  2    108.5500000              0.0136245        
  3     41.4330000              0.0603085        
  4     17.5790000              0.1732739        
  5      7.8627000              0.3182194        
  6      3.5180000              0.3798824        
  7      1.5348000              0.2773016        
D   1
  1      0.6081300              1.0000000        
D   1
  1      0.2220000              1.0000000        
F   1
  1      0.4620000              1.0000000        


name: cc-pVTZ-DK
description: VTZ2P Douglas-Kroll Valence Triple Zeta + Polarization
elt: Br
data:
BROMINE
S   18
  1 10639000.0000000            0.0001832        
  2 1593400.0000000             0.0005094        
  3 362610.0000000              0.0013353        
  4 102700.0000000              0.0032222        
  5  33501.0000000              0.0076707        
  6  12093.0000000              0.0182439        
  7   4715.9000000              0.0433826        
  8   1955.6000000              0.0991426        
  9    852.6100000              0.2010706        
 10    387.6700000              0.3191212        
 11    182.6800000              0.3179374        
 12     88.2450000              0.1406661        
 13     39.2630000              0.0138611        
 14     19.2340000             -0.0008414        
 15      9.4057000              0.0003982        
 16      4.1601000             -0.0002226        
 17      1.8995000              0.0000678        
 18      0.3011400              0.0000221        
S   18
  1 10639000.0000000           -0.0000591        
  2 1593400.0000000            -0.0001646        
  3 362610.0000000             -0.0004325        
  4 102700.0000000             -0.0010466        
  5  33501.0000000             -0.0025103        
  6  12093.0000000             -0.0060229        
  7   4715.9000000             -0.0146734        
  8   1955.6000000             -0.0347901        
  9    852.6100000             -0.0773387        
 10    387.6700000             -0.1442475        
 11    182.6800000             -0.1985461        
 12     88.2450000             -0.0726261        
 13     39.2630000              0.3809663        
 14     19.2340000              0.5761470        
 15      9.4057000              0.2033629        
 16      4.1601000              0.0112299        
 17      1.8995000              0.0010430        
 18      0.3011400              0.0000729        
S   18
  1 10639000.0000000            0.0000236        
  2 1593400.0000000             0.0000657        
  3 362610.0000000              0.0001726        
  4 102700.0000000              0.0004176        
  5  33501.0000000              0.0010031        
  6  12093.0000000              0.0024075        
  7   4715.9000000              0.0058916        
  8   1955.6000000              0.0140102        
  9    852.6100000              0.0316098        
 10    387.6700000              0.0600877        
 11    182.6800000              0.0872309        
 12     88.2450000              0.0324842        
 13     39.2630000             -0.2258144        
 14     19.2340000             -0.5093521        
 15      9.4057000             -0.1106266        
 16      4.1601000              0.7018218        
 17      1.8995000              0.5477988        
 18      0.3011400             -0.0089968        
S   18
  1 10639000.0000000           -0.0000072        
  2 1593400.0000000            -0.0000202        
  3 362610.0000000             -0.0000530        
  4 102700.0000000             -0.0001284        
  5  33501.0000000             -0.0003083        
  6  12093.0000000             -0.0007407        
  7   4715.9000000             -0.0018109        
  8   1955.6000000             -0.0043190        
  9    852.6100000             -0.0097329        
 10    387.6700000             -0.0186483        
 11    182.6800000             -0.0270679        
 12     88.2450000             -0.0105140        
 13     39.2630000              0.0747565        
 14     19.2340000              0.1753422        
 15      9.4057000              0.0399153        
 16      4.1601000             -0.3301097        
 17      1.8995000             -0.4463003        
 18      0.3011400              0.6810696        
S   1
  1      0.6047200              1.0000000        
S   1
  1      0.1251500              1.0000000        
P   11
  1   8676.5000000              0.0009606        
  2   2055.9000000              0.0050551        
  3    666.2300000              0.0234154        
  4    253.1000000              0.0841414        
  5    106.1200000              0.2229616        
  6     47.2420000              0.3880657        
  7     21.8250000              0.3534548        
  8      9.9684000              0.1085321        
  9      4.5171000              0.0042339        
 10      1.9982000              0.0016954        
 11      0.2814500              0.0001980        
P   11
  1   8676.5000000             -0.0003881        
  2   2055.9000000             -0.0020557        
  3    666.2300000             -0.0096085        
  4    253.1000000             -0.0355099        
  5    106.1200000             -0.0981287        
  6     47.2420000             -0.1828576        
  7     21.8250000             -0.1498313        
  8      9.9684000              0.1959655        
  9      4.5171000              0.5433698        
 10      1.9982000              0.3792448        
 11      0.2814500             -0.0040330        
P   11
  1   8676.5000000              0.0001001        
  2   2055.9000000              0.0005330        
  3    666.2300000              0.0024808        
  4    253.1000000              0.0092595        
  5    106.1200000              0.0255286        
  6     47.2420000              0.0486125        
  7     21.8250000              0.0376864        
  8      9.9684000             -0.0631036        
  9      4.5171000             -0.1878988        
 10      1.9982000             -0.1319307        
 11      0.2814500              0.5723946        
P   1
  1      0.7098800              1.0000000        
P   1
  1      0.1020400              1.0000000        
D   7
  1    403.8300000              0.0016248        
  2    121.1700000              0.0130068        
  3     46.3450000              0.0582881        
  4     19.7210000              0.1698577        
  5      8.8624000              0.3172628        
  6      3.9962000              0.3831152        
  7      1.7636000              0.2764135        
D   1
  1      0.7061900              1.0000000        
D   1
  1      0.2639000              1.0000000        
F   1
  1      0.5515000              1.0000000        


name: cc-pVTZ-DK
description: VTZ2P Douglas-Kroll Valence Triple Zeta + Polarization
elt: Kr
data:
KRYPTON
S   18
  1 11718113.0000000            0.0001859        
  2 1754604.4000000             0.0005150        
  3 399281.3200000              0.0013432        
  4 113084.5700000              0.0032195        
  5  36885.9250000              0.0076009        
  6  13312.2090000              0.0179060        
  7   5189.9883000              0.0422150        
  8   2151.6597000              0.0960349        
  9    938.0325100              0.1952297        
 10    426.5573200              0.3137292        
 11    201.0666000              0.3219435        
 12     97.0976050              0.1510730        
 13     42.9987240              0.0164237        
 14     21.1770750             -0.0012597        
 15     10.4267520              0.0005951        
 16      4.5850080             -0.0003119        
 17      2.1176030              0.0001107        
 18      0.3492250              0.0000336        
S   18
  1 11718113.0000000           -0.0000603        
  2 1754604.4000000            -0.0001671        
  3 399281.3200000             -0.0004370        
  4 113084.5700000             -0.0010504        
  5  36885.9250000             -0.0024984        
  6  13312.2090000             -0.0059366        
  7   5189.9883000             -0.0143354        
  8   2151.6597000             -0.0337901        
  9    938.0325100             -0.0750934        
 10    426.5573200             -0.1409097        
 11    201.0666000             -0.1981955        
 12     97.0976050             -0.0847245        
 13     42.9987240              0.3597104        
 14     21.1770750              0.5793500        
 15     10.4267520              0.2222311        
 16      4.5850080              0.0139542        
 17      2.1176030              0.0007200        
 18      0.3492250             -0.0000005        
S   18
  1 11718113.0000000            0.0000243        
  2 1754604.4000000             0.0000673        
  3 399281.3200000              0.0001760        
  4 113084.5700000              0.0004231        
  5  36885.9250000              0.0010080        
  6  13312.2090000              0.0023954        
  7   5189.9883000              0.0058120        
  8   2151.6597000              0.0137326        
  9    938.0325100              0.0309845        
 10    426.5573200              0.0591639        
 11    201.0666000              0.0877957        
 12     97.0976050              0.0382821        
 13     42.9987240             -0.2133820        
 14     21.1770750             -0.5102973        
 15     10.4267520             -0.1428905        
 16      4.5850080              0.6921799        
 17      2.1176030              0.5659483        
 18      0.3492250             -0.0086285        
S   18
  1 11718113.0000000           -0.0000077        
  2 1754604.4000000            -0.0000215        
  3 399281.3200000             -0.0000562        
  4 113084.5700000             -0.0001351        
  5  36885.9250000             -0.0003218        
  6  13312.2090000             -0.0007656        
  7   5189.9883000             -0.0018555        
  8   2151.6597000             -0.0043974        
  9    938.0325100             -0.0099092        
 10    426.5573200             -0.0190727        
 11    201.0666000             -0.0283000        
 12     97.0976050             -0.0128172        
 13     42.9987240              0.0734597        
 14     21.1770750              0.1825952        
 15     10.4267520              0.0546434        
 16      4.5850080             -0.3407758        
 17      2.1176030             -0.4771108        
 18      0.3492250              0.7003463        
S   1
  1      0.7070570              1.0000000        
S   1
  1      0.1448210              1.0000000        
P   11
  1   9366.3090000              0.0009707        
  2   2219.5543000              0.0050077        
  3    719.4528800              0.0230161        
  4    273.4644600              0.0825571        
  5    114.7522500              0.2195384        
  6     51.1555690              0.3852410        
  7     23.6826760              0.3563222        
  8     10.8754840              0.1130359        
  9      4.9551310              0.0049219        
 10      2.2172670              0.0016631        
 11      0.3221540              0.0002046        
P   11
  1   9366.3090000             -0.0003975        
  2   2219.5543000             -0.0020639        
  3    719.4528800             -0.0095757        
  4    273.4644600             -0.0353013        
  5    114.7522500             -0.0979503        
  6     51.1555690             -0.1838610        
  7     23.6826760             -0.1548402        
  8     10.8754840              0.1887147        
  9      4.9551310              0.5445253        
 10      2.2172670              0.3826523        
 11      0.3221540             -0.0044428        
P   11
  1   9366.3090000              0.0001077        
  2   2219.5543000              0.0005622        
  3    719.4528800              0.0025964        
  4    273.4644600              0.0096746        
  5    114.7522500              0.0267680        
  6     51.1555690              0.0514269        
  7     23.6826760              0.0409347        
  8     10.8754840             -0.0644315        
  9      4.9551310             -0.2011754        
 10      2.2172670             -0.1390848        
 11      0.3221540              0.5725139        
P   1
  1      0.8064100              1.0000000        
P   1
  1      0.1176190              1.0000000        
D   7
  1    446.1613300              0.0015646        
  2    133.9647700              0.0125414        
  3     51.3459070              0.0567199        
  4     21.9169060              0.1670903        
  5      9.8937250              0.3164218        
  6      4.4925270              0.3858120        
  7      2.0022930              0.2753781        
D   1
  1      0.8084090              1.0000000        
D   1
  1      0.3006000              1.0000000        
F   1
  1      0.6622000              1.0000000        


name: cc-pVTZ-DK
description: VTZ2P Douglas-Kroll Valence Triple Zeta + Polarization
elt: Y
data:
YTTRIUM
S   25
  1 125652000.0000000           0.0000380        
  2 20133700.0000000            0.0000990        
  3 4277710.0000000             0.0002750        
  4 1129920.0000000             0.0006340        
  5 351974.0000000              0.0013810        
  6 123945.0000000              0.0028690        
  7  47739.9000000              0.0059230        
  8  19619.2000000              0.0123320        
  9   8450.3600000              0.0261600        
 10   3769.0200000              0.0556820        
 11   1727.9100000              0.1138630        
 12    811.0400000              0.2051020        
 13    389.1110000              0.2814370        
 14    190.7170000              0.2287340        
 15     95.4433000              0.0890280        
 16     48.6821000              0.0824400        
 17     25.2032000              0.1083430        
 18     13.1419000              0.0442950        
 19      6.8166900              0.0108440        
 20      3.4533900              0.0084610        
 21      1.6659100              0.0019320        
 22      0.7900420             -0.0000540        
 23      0.3582790              0.0000200        
 24      0.0954820             -0.0000120        
 25      0.0539170              0.0000090        
S   25
  1 125652000.0000000          -0.0000220        
  2 20133700.0000000           -0.0000570        
  3 4277710.0000000            -0.0001590        
  4 1129920.0000000            -0.0003680        
  5 351974.0000000             -0.0008030        
  6 123945.0000000             -0.0016720        
  7  47739.9000000             -0.0034650        
  8  19619.2000000             -0.0072570        
  9   8450.3600000             -0.0155630        
 10   3769.0200000             -0.0337490        
 11   1727.9100000             -0.0716650        
 12    811.0400000             -0.1390300        
 13    389.1110000             -0.2226090        
 14    190.7170000             -0.2338900        
 15     95.4433000             -0.0401650        
 16     48.6821000              0.3553160        
 17     25.2032000              0.5138360        
 18     13.1419000              0.2129770        
 19      6.8166900              0.0360490        
 20      3.4533900              0.0200810        
 21      1.6659100              0.0043340        
 22      0.7900420             -0.0001540        
 23      0.3582790              0.0000270        
 24      0.0954820             -0.0000270        
 25      0.0539170              0.0000190        
S   25
  1 125652000.0000000           0.0000060        
  2 20133700.0000000            0.0000150        
  3 4277710.0000000             0.0000420        
  4 1129920.0000000             0.0000970        
  5 351974.0000000              0.0002120        
  6 123945.0000000              0.0004420        
  7  47739.9000000              0.0009200        
  8  19619.2000000              0.0019340        
  9   8450.3600000              0.0041920        
 10   3769.0200000              0.0092110        
 11   1727.9100000              0.0201940        
 12    811.0400000              0.0412260        
 13    389.1110000              0.0731750        
 14    190.7170000              0.0874300        
 15     95.4433000              0.0099990        
 16     48.6821000             -0.2504440        
 17     25.2032000             -0.4946370        
 18     13.1419000             -0.2142400        
 19      6.8166900              0.4939470        
 20      3.4533900              0.6907770        
 21      1.6659100              0.1581590        
 22      0.7900420              0.0015260        
 23      0.3582790              0.0034050        
 24      0.0954820             -0.0004310        
 25      0.0539170              0.0003640        
S   25
  1 125652000.0000000          -0.0000020        
  2 20133700.0000000           -0.0000050        
  3 4277710.0000000            -0.0000150        
  4 1129920.0000000            -0.0000350        
  5 351974.0000000             -0.0000760        
  6 123945.0000000             -0.0001590        
  7  47739.9000000             -0.0003300        
  8  19619.2000000             -0.0006950        
  9   8450.3600000             -0.0015050        
 10   3769.0200000             -0.0033110        
 11   1727.9100000             -0.0072380        
 12    811.0400000             -0.0148080        
 13    389.1110000             -0.0261900        
 14    190.7170000             -0.0316290        
 15     95.4433000             -0.0034010        
 16     48.6821000              0.0946240        
 17     25.2032000              0.2044610        
 18     13.1419000              0.0856020        
 19      6.8166900             -0.2538650        
 20      3.4533900             -0.6127890        
 21      1.6659100             -0.1264940        
 22      0.7900420              0.7436770        
 23      0.3582790              0.5597720        
 24      0.0954820              0.0475750        
 25      0.0539170             -0.0190500        
S   25
  1 125652000.0000000           0.0000010        
  2 20133700.0000000            0.0000010        
  3 4277710.0000000             0.0000040        
  4 1129920.0000000             0.0000100        
  5 351974.0000000              0.0000210        
  6 123945.0000000              0.0000430        
  7  47739.9000000              0.0000900        
  8  19619.2000000              0.0001900        
  9   8450.3600000              0.0004100        
 10   3769.0200000              0.0009050        
 11   1727.9100000              0.0019740        
 12    811.0400000              0.0040530        
 13    389.1110000              0.0071420        
 14    190.7170000              0.0087000        
 15     95.4433000              0.0008310        
 16     48.6821000             -0.0258900        
 17     25.2032000             -0.0573760        
 18     13.1419000             -0.0230220        
 19      6.8166900              0.0712900        
 20      3.4533900              0.1938920        
 21      1.6659100              0.0312430        
 22      0.7900420             -0.2852390        
 23      0.3582790             -0.3947980        
 24      0.0954820              0.1501200        
 25      0.0539170              0.6757620        
S   25
  1 125652000.0000000           0.0000010        
  2 20133700.0000000            0.0000020        
  3 4277710.0000000             0.0000070        
  4 1129920.0000000             0.0000160        
  5 351974.0000000              0.0000350        
  6 123945.0000000              0.0000720        
  7  47739.9000000              0.0001520        
  8  19619.2000000              0.0003130        
  9   8450.3600000              0.0007010        
 10   3769.0200000              0.0014760        
 11   1727.9100000              0.0034120        
 12    811.0400000              0.0065110        
 13    389.1110000              0.0126710        
 14    190.7170000              0.0128480        
 15     95.4433000              0.0055480        
 16     48.6821000             -0.0530480        
 17     25.2032000             -0.0770720        
 18     13.1419000             -0.0781360        
 19      6.8166900              0.1960260        
 20      3.4533900              0.2199610        
 21      1.6659100              0.2714330        
 22      0.7900420             -1.0439730        
 23      0.3582790             -0.2222660        
 24      0.0954820              2.6686410        
 25      0.0539170             -1.3420860        
S   25
  1 125652000.0000000           0.0000010        
  2 20133700.0000000            0.0000040        
  3 4277710.0000000             0.0000100        
  4 1129920.0000000             0.0000230        
  5 351974.0000000              0.0000510        
  6 123945.0000000              0.0001040        
  7  47739.9000000              0.0002250        
  8  19619.2000000              0.0004420        
  9   8450.3600000              0.0010560        
 10   3769.0200000              0.0020350        
 11   1727.9100000              0.0052400        
 12    811.0400000              0.0087090        
 13    389.1110000              0.0202960        
 14    190.7170000              0.0140590        
 15     95.4433000              0.0191750        
 16     48.6821000             -0.1030150        
 17     25.2032000             -0.0627500        
 18     13.1419000             -0.2157100        
 19      6.8166900              0.4965000        
 20      3.4533900              0.0288990        
 21      1.6659100              0.9537960        
 22      0.7900420             -3.3467460        
 23      0.3582790              2.7612670        
 24      0.0954820              1.3724070        
 25      0.0539170             -3.9422120        
S   1
  1      0.0238090              1.0000000        
P   20
  1 899731.0000000              0.0000140        
  2 150037.0000000              0.0000530        
  3  34339.3000000              0.0002080        
  4   9996.3200000              0.0007750        
  5   3481.5200000              0.0028250        
  6   1382.5800000              0.0097320        
  7    603.4010000              0.0303590        
  8    281.5920000              0.0828300        
  9    137.7670000              0.1847570        
 10     69.6793000              0.3116770        
 11     36.0696000              0.3427930        
 12     18.9597000              0.1889650        
 13     10.0434000              0.0357120        
 14      5.3130700             -0.0051850        
 15      2.7721800             -0.0049220        
 16      1.4017300             -0.0008290        
 17      0.6837770              0.0000540        
 18      0.3265150              0.0000940        
 19      0.1331130              0.0000110        
 20      0.0565070              0.0000020        
P   20
  1 899731.0000000             -0.0000060        
  2 150037.0000000             -0.0000210        
  3  34339.3000000             -0.0000840        
  4   9996.3200000             -0.0003140        
  5   3481.5200000             -0.0011490        
  6   1382.5800000             -0.0039830        
  7    603.4010000             -0.0126000        
  8    281.5920000             -0.0352680        
  9    137.7670000             -0.0819870        
 10     69.6793000             -0.1459460        
 11     36.0696000             -0.1639830        
 12     18.9597000             -0.0007890        
 13     10.0434000              0.2968570        
 14      5.3130700              0.4753820        
 15      2.7721800              0.2970230        
 16      1.4017300              0.0496310        
 17      0.6837770             -0.0016450        
 18      0.3265150             -0.0031360        
 19      0.1331130             -0.0004470        
 20      0.0565070             -0.0000380        
P   20
  1 899731.0000000              0.0000020        
  2 150037.0000000              0.0000070        
  3  34339.3000000              0.0000280        
  4   9996.3200000              0.0001060        
  5   3481.5200000              0.0003890        
  6   1382.5800000              0.0013490        
  7    603.4010000              0.0042740        
  8    281.5920000              0.0119970        
  9    137.7670000              0.0280270        
 10     69.6793000              0.0502390        
 11     36.0696000              0.0566460        
 12     18.9597000             -0.0063640        
 13     10.0434000             -0.1256460        
 14      5.3130700             -0.2231580        
 15      2.7721800             -0.1444230        
 16      1.4017300              0.2396110        
 17      0.6837770              0.5197150        
 18      0.3265150              0.3711800        
 19      0.1331130              0.0688960        
 20      0.0565070             -0.0032160        
P   20
  1 899731.0000000             -0.0000010        
  2 150037.0000000             -0.0000020        
  3  34339.3000000             -0.0000070        
  4   9996.3200000             -0.0000280        
  5   3481.5200000             -0.0001020        
  6   1382.5800000             -0.0003530        
  7    603.4010000             -0.0011180        
  8    281.5920000             -0.0031360        
  9    137.7670000             -0.0073370        
 10     69.6793000             -0.0131460        
 11     36.0696000             -0.0148640        
 12     18.9597000              0.0018970        
 13     10.0434000              0.0333980        
 14      5.3130700              0.0606620        
 15      2.7721800              0.0379810        
 16      1.4017300             -0.0741550        
 17      0.6837770             -0.1789410        
 18      0.3265150             -0.1616030        
 19      0.1331130              0.1999360        
 20      0.0565070              0.6151410        
P   20
  1 899731.0000000             -0.0000010        
  2 150037.0000000             -0.0000040        
  3  34339.3000000             -0.0000170        
  4   9996.3200000             -0.0000620        
  5   3481.5200000             -0.0002350        
  6   1382.5800000             -0.0007770        
  7    603.4010000             -0.0025980        
  8    281.5920000             -0.0068700        
  9    137.7670000             -0.0172090        
 10     69.6793000             -0.0281710        
 11     36.0696000             -0.0376570        
 12     18.9597000              0.0126630        
 13     10.0434000              0.0591940        
 14      5.3130700              0.1749240        
 15      2.7721800              0.0307070        
 16      1.4017300             -0.0601690        
 17      0.6837770             -0.8888730        
 18      0.3265150              0.3769820        
 19      0.1331130              1.3851310        
 20      0.0565070             -0.9603310        
P   20
  1 899731.0000000             -0.0000010        
  2 150037.0000000             -0.0000050        
  3  34339.3000000             -0.0000200        
  4   9996.3200000             -0.0000700        
  5   3481.5200000             -0.0002780        
  6   1382.5800000             -0.0008700        
  7    603.4010000             -0.0031000        
  8    281.5920000             -0.0076420        
  9    137.7670000             -0.0207720        
 10     69.6793000             -0.0304950        
 11     36.0696000             -0.0490530        
 12     18.9597000              0.0273890        
 13     10.0434000              0.0512960        
 14      5.3130700              0.2533410        
 15      2.7721800             -0.0539630        
 16      1.4017300             -0.0228610        
 17      0.6837770             -1.5625650        
 18      0.3265150              2.3965880        
 19      0.1331130             -0.9263150        
 20      0.0565070             -0.9296140        
P   1
  1      0.0230720              1.0000000        
D   13
  1   1692.8100000              0.0001720        
  2    495.3540000              0.0015040        
  3    185.7570000              0.0088970        
  4     80.7331000              0.0349980        
  5     38.1052000              0.1020330        
  6     18.7825000              0.2187390        
  7      9.4512200              0.3241590        
  8      4.7787300              0.3330020        
  9      2.3834500              0.1976710        
 10      1.1262500              0.0473440        
 11      0.4918370              0.0020740        
 12      0.2031270              0.0003690        
 13      0.0806030             -0.0000910        
D   13
  1   1692.8100000             -0.0000310        
  2    495.3540000             -0.0002740        
  3    185.7570000             -0.0016290        
  4     80.7331000             -0.0064310        
  5     38.1052000             -0.0189300        
  6     18.7825000             -0.0407270        
  7      9.4512200             -0.0585640        
  8      4.7787300             -0.0555840        
  9      2.3834500              0.0031940        
 10      1.1262500              0.1495820        
 11      0.4918370              0.3059940        
 12      0.2031270              0.3834170        
 13      0.0806030              0.3322840        
D   13
  1   1692.8100000              0.0000350        
  2    495.3540000              0.0003060        
  3    185.7570000              0.0018110        
  4     80.7331000              0.0071820        
  5     38.1052000              0.0210830        
  6     18.7825000              0.0455820        
  7      9.4512200              0.0647290        
  8      4.7787300              0.0610630        
  9      2.3834500             -0.0122660        
 10      1.1262500             -0.1866690        
 11      0.4918370             -0.3892700        
 12      0.2031270             -0.2383360        
 13      0.0806030              0.4661860        
D   13
  1   1692.8100000             -0.0000420        
  2    495.3540000             -0.0003750        
  3    185.7570000             -0.0022030        
  4     80.7331000             -0.0088120        
  5     38.1052000             -0.0257040        
  6     18.7825000             -0.0560910        
  7      9.4512200             -0.0776040        
  8      4.7787300             -0.0719720        
  9      2.3834500              0.0271310        
 10      1.1262500              0.2803270        
 11      0.4918370              0.5362770        
 12      0.2031270             -0.5530610        
 13      0.0806030             -0.6755560        
D   1
  1      0.0303380              1.0000000        
F   1
  1      0.4785000              1.0000000        
F   1
  1      0.1232000              1.0000000        
G   1
  1      0.2762000              1.0000000        


name: cc-pVTZ-DK
description: VTZ2P Douglas-Kroll Valence Triple Zeta + Polarization
elt: Zr
data:
ZIRCONIUM
S   25
  1 137465000.0000000           0.0000390        
  2 21983900.0000000            0.0001020        
  3 4663660.0000000             0.0002830        
  4 1230450.0000000             0.0006530        
  5 382971.0000000              0.0014170        
  6 134784.0000000              0.0029290        
  7  51894.2000000              0.0060140        
  8  21319.8000000              0.0124350        
  9   9179.9200000              0.0261990        
 10   4092.8100000              0.0554640        
 11   1875.3900000              0.1132890        
 12    879.6740000              0.2051980        
 13    421.7030000              0.2861040        
 14    206.5130000              0.2401140        
 15    103.2640000              0.0943790        
 16     52.6403000              0.0706840        
 17     27.2498000              0.0937670        
 18     14.2193000              0.0396260        
 19      7.3900300              0.0103750        
 20      3.7578500              0.0083670        
 21      1.8239100              0.0019550        
 22      0.8720740             -0.0000590        
 23      0.3965840              0.0000130        
 24      0.1045330             -0.0000110        
 25      0.0556850              0.0000080        
S   25
  1 137465000.0000000          -0.0000210        
  2 21983900.0000000           -0.0000560        
  3 4663660.0000000            -0.0001540        
  4 1230450.0000000            -0.0003550        
  5 382971.0000000             -0.0007720        
  6 134784.0000000             -0.0015990        
  7  51894.2000000             -0.0032960        
  8  21319.8000000             -0.0068570        
  9   9179.9200000             -0.0146080        
 10   4092.8100000             -0.0315190        
 11   1875.3900000             -0.0668790        
 12    879.6740000             -0.1304680        
 13    421.7030000             -0.2120310        
 14    206.5130000             -0.2295690        
 15    103.2640000             -0.0480050        
 16     52.6403000              0.3457620        
 17     27.2498000              0.5209040        
 18     14.2193000              0.2244900        
 19      7.3900300              0.0378260        
 20      3.7578500              0.0202080        
 21      1.8239100              0.0043710        
 22      0.8720740             -0.0001770        
 23      0.3965840             -0.0000130        
 24      0.1045330             -0.0000230        
 25      0.0556850              0.0000140        
S   25
  1 137465000.0000000           0.0000060        
  2 21983900.0000000            0.0000150        
  3 4663660.0000000             0.0000430        
  4 1230450.0000000             0.0000990        
  5 382971.0000000              0.0002150        
  6 134784.0000000              0.0004470        
  7  51894.2000000              0.0009250        
  8  21319.8000000              0.0019300        
  9   9179.9200000              0.0041530        
 10   4092.8100000              0.0090710        
 11   1875.3900000              0.0198280        
 12    879.6740000              0.0405300        
 13    421.7030000              0.0724480        
 14    206.5130000              0.0884220        
 15    103.2640000              0.0150670        
 16     52.6403000             -0.2428610        
 17     27.2498000             -0.4974240        
 18     14.2193000             -0.2335070        
 19      7.3900300              0.4854210        
 20      3.7578500              0.7020170        
 21      1.8239100              0.1631350        
 22      0.8720740              0.0016550        
 23      0.3965840              0.0030010        
 24      0.1045330             -0.0003620        
 25      0.0556850              0.0002950        
S   25
  1 137465000.0000000          -0.0000020        
  2 21983900.0000000           -0.0000060        
  3 4663660.0000000            -0.0000160        
  4 1230450.0000000            -0.0000370        
  5 382971.0000000             -0.0000800        
  6 134784.0000000             -0.0001660        
  7  51894.2000000             -0.0003430        
  8  21319.8000000             -0.0007160        
  9   9179.9200000             -0.0015380        
 10   4092.8100000             -0.0033620        
 11   1875.3900000             -0.0073280        
 12    879.6740000             -0.0150040        
 13    421.7030000             -0.0267120        
 14    206.5130000             -0.0329150        
 15    103.2640000             -0.0054230        
 16     52.6403000              0.0942620        
 17     27.2498000              0.2112000        
 18     14.2193000              0.0974330        
 19      7.3900300             -0.2577540        
 20      3.7578500             -0.6437290        
 21      1.8239100             -0.1211340        
 22      0.8720740              0.7660700        
 23      0.3965840              0.5479130        
 24      0.1045330              0.0433770        
 25      0.0556850             -0.0166790        
S   25
  1 137465000.0000000           0.0000010        
  2 21983900.0000000            0.0000020        
  3 4663660.0000000             0.0000040        
  4 1230450.0000000             0.0000100        
  5 382971.0000000              0.0000220        
  6 134784.0000000              0.0000460        
  7  51894.2000000              0.0000940        
  8  21319.8000000              0.0001970        
  9   9179.9200000              0.0004230        
 10   4092.8100000              0.0009270        
 11   1875.3900000              0.0020180        
 12    879.6740000              0.0041420        
 13    421.7030000              0.0073600        
 14    206.5130000              0.0091190        
 15    103.2640000              0.0014430        
 16     52.6403000             -0.0261460        
 17     27.2498000             -0.0596490        
 18     14.2193000             -0.0270770        
 19      7.3900300              0.0741240        
 20      3.7578500              0.2051780        
 21      1.8239100              0.0316960        
 22      0.8720740             -0.3079690        
 23      0.3965840             -0.3842290        
 24      0.1045330              0.2243790        
 25      0.0556850              0.6526520        
S   25
  1 137465000.0000000           0.0000010        
  2 21983900.0000000            0.0000030        
  3 4663660.0000000             0.0000080        
  4 1230450.0000000             0.0000180        
  5 382971.0000000              0.0000390        
  6 134784.0000000              0.0000810        
  7  51894.2000000              0.0001710        
  8  21319.8000000              0.0003470        
  9   9179.9200000              0.0007770        
 10   4092.8100000              0.0016050        
 11   1875.3900000              0.0037570        
 12    879.6740000              0.0070360        
 13    421.7030000              0.0141370        
 14    206.5130000              0.0139740        
 15    103.2640000              0.0082520        
 16     52.6403000             -0.0600270        
 17     27.2498000             -0.0805800        
 18     14.2193000             -0.1032140        
 19      7.3900300              0.2392630        
 20      3.7578500              0.2188950        
 21      1.8239100              0.3606080        
 22      0.8720740             -1.3339990        
 23      0.3965840              0.0562250        
 24      0.1045330              2.5986730        
 25      0.0556850             -1.5901640        
S   25
  1 137465000.0000000           0.0000020        
  2 21983900.0000000            0.0000040        
  3 4663660.0000000             0.0000120        
  4 1230450.0000000             0.0000270        
  5 382971.0000000              0.0000580        
  6 134784.0000000              0.0001180        
  7  51894.2000000              0.0002540        
  8  21319.8000000              0.0005000        
  9   9179.9200000              0.0011710        
 10   4092.8100000              0.0022820        
 11   1875.3900000              0.0057400        
 12    879.6740000              0.0098090        
 13    421.7030000              0.0222160        
 14    206.5130000              0.0172170        
 15    103.2640000              0.0203720        
 16     52.6403000             -0.1080960        
 17     27.2498000             -0.0846130        
 18     14.2193000             -0.2264530        
 19      7.3900300              0.5213300        
 20      3.7578500              0.1380690        
 21      1.8239100              0.8852170        
 22      0.8720740             -3.7091920        
 23      0.3965840              3.4756970        
 24      0.1045330             -0.2666100        
 25      0.0556850             -2.2712720        
S   1
  1      0.0249620              1.0000000        
P   20
  1 1026890.0000000             0.0000140        
  2 166325.0000000              0.0000540        
  3  37381.9000000              0.0002110        
  4  10771.6000000              0.0007820        
  5   3733.5900000              0.0028240        
  6   1480.4400000              0.0096440        
  7    646.1670000              0.0299270        
  8    301.6820000              0.0815930        
  9    147.5910000              0.1827890        
 10     74.5800000              0.3108630        
 11     38.5385000              0.3449150        
 12     20.2133000              0.1912910        
 13     10.6887000              0.0358310        
 14      5.6538700             -0.0055640        
 15      2.9595100             -0.0049940        
 16      1.5093500             -0.0007890        
 17      0.7426710              0.0000320        
 18      0.3561060              0.0000840        
 19      0.1432030              0.0000050        
 20      0.0613660              0.0000030        
P   20
  1 1026890.0000000            -0.0000060        
  2 166325.0000000             -0.0000220        
  3  37381.9000000             -0.0000860        
  4  10771.6000000             -0.0003200        
  5   3733.5900000             -0.0011590        
  6   1480.4400000             -0.0039830        
  7    646.1670000             -0.0125320        
  8    301.6820000             -0.0350530        
  9    147.5910000             -0.0818230        
 10     74.5800000             -0.1469170        
 11     38.5385000             -0.1665300        
 12     20.2133000             -0.0019580        
 13     10.6887000              0.3022470        
 14      5.6538700              0.4800820        
 15      2.9595100              0.2895230        
 16      1.5093500              0.0460620        
 17      0.7426710             -0.0010090        
 18      0.3561060             -0.0026480        
 19      0.1432030             -0.0002700        
 20      0.0613660             -0.0000550        
P   20
  1 1026890.0000000             0.0000020        
  2 166325.0000000              0.0000080        
  3  37381.9000000              0.0000300        
  4  10771.6000000              0.0001130        
  5   3733.5900000              0.0004080        
  6   1480.4400000              0.0014030        
  7    646.1670000              0.0044240        
  8    301.6820000              0.0124070        
  9    147.5910000              0.0291180        
 10     74.5800000              0.0526350        
 11     38.5385000              0.0599290        
 12     20.2133000             -0.0065290        
 13     10.6887000             -0.1338850        
 14      5.6538700             -0.2384410        
 15      2.9595100             -0.1409390        
 16      1.5093500              0.2670430        
 17      0.7426710              0.5264040        
 18      0.3561060              0.3500400        
 19      0.1432030              0.0607950        
 20      0.0613660             -0.0035120        
P   20
  1 1026890.0000000            -0.0000010        
  2 166325.0000000             -0.0000020        
  3  37381.9000000             -0.0000080        
  4  10771.6000000             -0.0000310        
  5   3733.5900000             -0.0001120        
  6   1480.4400000             -0.0003850        
  7    646.1670000             -0.0012160        
  8    301.6820000             -0.0034030        
  9    147.5910000             -0.0080150        
 10     74.5800000             -0.0144450        
 11     38.5385000             -0.0165750        
 12     20.2133000              0.0022160        
 13     10.6887000              0.0373230        
 14      5.6538700              0.0690390        
 15      2.9595100              0.0378250        
 16      1.5093500             -0.0877260        
 17      0.7426710             -0.2031560        
 18      0.3561060             -0.1411200        
 19      0.1432030              0.2623720        
 20      0.0613660              0.6031610        
P   20
  1 1026890.0000000            -0.0000010        
  2 166325.0000000             -0.0000030        
  3  37381.9000000             -0.0000120        
  4  10771.6000000             -0.0000440        
  5   3733.5900000             -0.0001580        
  6   1480.4400000             -0.0005440        
  7    646.1670000             -0.0017170        
  8    301.6820000             -0.0048120        
  9    147.5910000             -0.0113090        
 10     74.5800000             -0.0204390        
 11     38.5385000             -0.0233420        
 12     20.2133000              0.0029340        
 13     10.6887000              0.0530020        
 14      5.6538700              0.0969350        
 15      2.9595100              0.0553000        
 16      1.5093500             -0.1263110        
 17      0.7426710             -0.2883080        
 18      0.3561060             -0.2127200        
 19      0.1432030              0.5617710        
 20      0.0613660              0.5907190        
P   20
  1 1026890.0000000            -0.0000010        
  2 166325.0000000             -0.0000050        
  3  37381.9000000             -0.0000200        
  4  10771.6000000             -0.0000730        
  5   3733.5900000             -0.0002750        
  6   1480.4400000             -0.0009030        
  7    646.1670000             -0.0030050        
  8    301.6820000             -0.0079310        
  9    147.5910000             -0.0199890        
 10     74.5800000             -0.0329840        
 11     38.5385000             -0.0444290        
 12     20.2133000              0.0152060        
 13     10.6887000              0.0721590        
 14      5.6538700              0.2108560        
 15      2.9595100              0.0289350        
 16      1.5093500             -0.1300640        
 17      0.7426710             -1.0529780        
 18      0.3561060              0.8409110        
 19      0.1432030              1.1121990        
 20      0.0613660             -1.1576550        
P   1
  1      0.0253800              1.0000000        
D   13
  1   1873.9800000              0.0001650        
  2    538.4570000              0.0014760        
  3    201.3810000              0.0087010        
  4     87.7228000              0.0342520        
  5     41.4951000              0.1005890        
  6     20.4746000              0.2180290        
  7     10.3147000              0.3259560        
  8      5.2323700              0.3343750        
  9      2.6265600              0.1951030        
 10      1.2521400              0.0452140        
 11      0.5665690              0.0018540        
 12      0.2447510              0.0004680        
 13      0.1007930             -0.0001050        
D   13
  1   1873.9800000             -0.0000360        
  2    538.4570000             -0.0003200        
  3    201.3810000             -0.0018890        
  4     87.7228000             -0.0074860        
  5     41.4951000             -0.0221550        
  6     20.4746000             -0.0483830        
  7     10.3147000             -0.0698250        
  8      5.2323700             -0.0662840        
  9      2.6265600              0.0093450        
 10      1.2521400              0.1800330        
 11      0.5665690              0.3375510        
 12      0.2447510              0.3797130        
 13      0.1007930              0.2816470        
D   13
  1   1873.9800000              0.0000380        
  2    538.4570000              0.0003410        
  3    201.3810000              0.0020070        
  4     87.7228000              0.0079710        
  5     41.4951000              0.0235960        
  6     20.4746000              0.0516520        
  7     10.3147000              0.0737130        
  8      5.2323700              0.0681610        
  9      2.6265600             -0.0221710        
 10      1.2521400             -0.2243400        
 11      0.5665690             -0.4064670        
 12      0.2447510             -0.1230570        
 13      0.1007930              0.5401810        
D   13
  1   1873.9800000             -0.0000510        
  2    538.4570000             -0.0004560        
  3    201.3810000             -0.0027100        
  4     87.7228000             -0.0107010        
  5     41.4951000             -0.0320450        
  6     20.4746000             -0.0694640        
  7     10.3147000             -0.0980730        
  8      5.2323700             -0.0800630        
  9      2.6265600              0.0548690        
 10      1.2521400              0.4033390        
 11      0.5665690              0.4207990        
 12      0.2447510             -0.7613030        
 13      0.1007930             -0.3936520        
D   1
  1      0.0387210              1.0000000        
F   1
  1      0.7043000              1.0000000        
F   1
  1      0.1873000              1.0000000        
G   1
  1      0.4157000              1.0000000        


name: cc-pVTZ-DK
description: VTZ2P Douglas-Kroll Valence Triple Zeta + Polarization
elt: Nb
data:
NIOBIUM
S   25
  1 148730000.0000000           0.0000410        
  2 23767800.0000000            0.0001070        
  3 5046420.0000000             0.0002940        
  4 1333380.0000000             0.0006750        
  5 415571.0000000              0.0014590        
  6 146370.0000000              0.0030020        
  7  56350.8000000              0.0061330        
  8  23127.9000000              0.0126210        
  9   9940.2500000              0.0264740        
 10   4420.8100000              0.0558980        
 11   2019.8800000              0.1142690        
 12    944.6900000              0.2081040        
 13    451.6810000              0.2936160        
 14    220.7490000              0.2517500        
 15    110.2620000              0.0988110        
 16     56.2091000              0.0565980        
 17     29.1336000              0.0730030        
 18     15.2394000              0.0313210        
 19      7.9473000              0.0093030        
 20      4.0572900              0.0079850        
 21      1.9768800              0.0018860        
 22      0.9521430             -0.0000610        
 23      0.4336490              0.0000100        
 24      0.1145890             -0.0000100        
 25      0.0584420              0.0000070        
S   25
  1 148730000.0000000          -0.0000200        
  2 23767800.0000000           -0.0000530        
  3 5046420.0000000            -0.0001460        
  4 1333380.0000000            -0.0003340        
  5 415571.0000000             -0.0007240        
  6 146370.0000000             -0.0014930        
  7  56350.8000000             -0.0030630        
  8  23127.9000000             -0.0063440        
  9   9940.2500000             -0.0134640        
 10   4420.8100000             -0.0289990        
 11   2019.8800000             -0.0616640        
 12    944.6900000             -0.1212130        
 13    451.6810000             -0.1998810        
 14    220.7490000             -0.2214680        
 15    110.2620000             -0.0490010        
 16     56.2091000              0.3425590        
 17     29.1336000              0.5252470        
 18     15.2394000              0.2316160        
 19      7.9473000              0.0391050        
 20      4.0572900              0.0199740        
 21      1.9768800              0.0043170        
 22      0.9521430             -0.0002310        
 23      0.4336490             -0.0000460        
 24      0.1145890             -0.0000230        
 25      0.0584420              0.0000130        
S   25
  1 148730000.0000000           0.0000060        
  2 23767800.0000000            0.0000160        
  3 5046420.0000000             0.0000440        
  4 1333380.0000000             0.0001010        
  5 415571.0000000              0.0002180        
  6 146370.0000000              0.0004510        
  7  56350.8000000              0.0009280        
  8  23127.9000000              0.0019290        
  9   9940.2500000              0.0041300        
 10   4420.8100000              0.0089920        
 11   2019.8800000              0.0196400        
 12    944.6900000              0.0402340        
 13    451.6810000              0.0722700        
 14    220.7490000              0.0891500        
 15    110.2620000              0.0173520        
 16     56.2091000             -0.2402570        
 17     29.1336000             -0.4991280        
 18     15.2394000             -0.2448270        
 19      7.9473000              0.4815720        
 20      4.0572900              0.7099620        
 21      1.9768800              0.1650660        
 22      0.9521430              0.0016990        
 23      0.4336490              0.0027620        
 24      0.1145890             -0.0003210        
 25      0.0584420              0.0002510        
S   25
  1 148730000.0000000          -0.0000020        
  2 23767800.0000000           -0.0000060        
  3 5046420.0000000            -0.0000170        
  4 1333380.0000000            -0.0000380        
  5 415571.0000000             -0.0000830        
  6 146370.0000000             -0.0001720        
  7  56350.8000000             -0.0003540        
  8  23127.9000000             -0.0007350        
  9   9940.2500000             -0.0015720        
 10   4420.8100000             -0.0034260        
 11   2019.8800000             -0.0074620        
 12    944.6900000             -0.0153020        
 13    451.6810000             -0.0273680        
 14    220.7490000             -0.0340370        
 15    110.2620000             -0.0064790        
 16     56.2091000              0.0956110        
 17     29.1336000              0.2170360        
 18     15.2394000              0.1058950        
 19      7.9473000             -0.2639330        
 20      4.0572900             -0.6715680        
 21      1.9768800             -0.1085610        
 22      0.9521430              0.7849520        
 23      0.4336490              0.5342750        
 24      0.1145890              0.0397640        
 25      0.0584420             -0.0144210        
S   25
  1 148730000.0000000           0.0000010        
  2 23767800.0000000            0.0000020        
  3 5046420.0000000             0.0000050        
  4 1333380.0000000             0.0000110        
  5 415571.0000000              0.0000230        
  6 146370.0000000              0.0000470        
  7  56350.8000000              0.0000970        
  8  23127.9000000              0.0002030        
  9   9940.2500000              0.0004330        
 10   4420.8100000              0.0009450        
 11   2019.8800000              0.0020560        
 12    944.6900000              0.0042220        
 13    451.6810000              0.0075480        
 14    220.7490000              0.0094170        
 15    110.2620000              0.0017690        
 16     56.2091000             -0.0266170        
 17     29.1336000             -0.0612000        
 18     15.2394000             -0.0298710        
 19      7.9473000              0.0768170        
 20      4.0572900              0.2140280        
 21      1.9768800              0.0285210        
 22      0.9521430             -0.3245640        
 23      0.4336490             -0.3700090        
 24      0.1145890              0.2587600        
 25      0.0584420              0.6441050        
S   25
  1 148730000.0000000           0.0000010        
  2 23767800.0000000            0.0000030        
  3 5046420.0000000             0.0000090        
  4 1333380.0000000             0.0000200        
  5 415571.0000000              0.0000420        
  6 146370.0000000              0.0000870        
  7  56350.8000000              0.0001820        
  8  23127.9000000              0.0003670        
  9   9940.2500000              0.0008210        
 10   4420.8100000              0.0016860        
 11   2019.8800000              0.0039570        
 12    944.6900000              0.0073850        
 13    451.6810000              0.0150090        
 14    220.7490000              0.0147870        
 15    110.2620000              0.0096260        
 16     56.2091000             -0.0641220        
 17     29.1336000             -0.0833920        
 18     15.2394000             -0.1175960        
 19      7.9473000              0.2639850        
 20      4.0572900              0.2260250        
 21      1.9768800              0.3977440        
 22      0.9521430             -1.4946160        
 23      0.4336490              0.2297770        
 24      0.1145890              2.4372080        
 25      0.0584420             -1.5738370        
S   25
  1 148730000.0000000           0.0000020        
  2 23767800.0000000            0.0000050        
  3 5046420.0000000             0.0000130        
  4 1333380.0000000             0.0000290        
  5 415571.0000000              0.0000640        
  6 146370.0000000              0.0001300        
  7  56350.8000000              0.0002750        
  8  23127.9000000              0.0005450        
  9   9940.2500000              0.0012510        
 10   4420.8100000              0.0024790        
 11   2019.8800000              0.0060800        
 12    944.6900000              0.0107370        
 13    451.6810000              0.0234840        
 14    220.7490000              0.0200450        
 15    110.2620000              0.0199520        
 16     56.2091000             -0.1102060        
 17     29.1336000             -0.1055590        
 18     15.2394000             -0.2244700        
 19      7.9473000              0.5229320        
 20      4.0572900              0.2652400        
 21      1.9768800              0.7120250        
 22      0.9521430             -3.7592960        
 23      0.4336490              3.7656100        
 24      0.1145890             -1.0027180        
 25      0.0584420             -1.4369880        
S   1
  1      0.0261710              1.0000000        
P   20
  1 1081950.0000000             0.0000150        
  2 178505.0000000              0.0000550        
  3  40400.2000000              0.0002130        
  4  11646.1000000              0.0007810        
  5   4025.9500000              0.0027980        
  6   1590.7600000              0.0095200        
  7    692.1700000              0.0295350        
  8    322.4500000              0.0806560        
  9    157.5390000              0.1812980        
 10     79.5406000              0.3098780        
 11     41.0712000              0.3460410        
 12     21.5218000              0.1933500        
 13     11.3695000              0.0364850        
 14      6.0122400             -0.0053490        
 15      3.1533300             -0.0047070        
 16      1.6193400             -0.0007060        
 17      0.8011640              0.0000120        
 18      0.3849500              0.0000720        
 19      0.1534890              0.0000010        
 20      0.0654720              0.0000030        
P   20
  1 1081950.0000000            -0.0000060        
  2 178505.0000000             -0.0000230        
  3  40400.2000000             -0.0000880        
  4  11646.1000000             -0.0003230        
  5   4025.9500000             -0.0011610        
  6   1590.7600000             -0.0039790        
  7    692.1700000             -0.0125140        
  8    322.4500000             -0.0350620        
  9    157.5390000             -0.0820970        
 10     79.5406000             -0.1482120        
 11     41.0712000             -0.1690290        
 12     21.5218000             -0.0035330        
 13     11.3695000              0.3067500        
 14      6.0122400              0.4848860        
 15      3.1533300              0.2827780        
 16      1.6193400              0.0428690        
 17      0.8011640             -0.0004370        
 18      0.3849500             -0.0022680        
 19      0.1534890             -0.0001410        
 20      0.0654720             -0.0000700        
P   20
  1 1081950.0000000             0.0000020        
  2 178505.0000000              0.0000080        
  3  40400.2000000              0.0000320        
  4  11646.1000000              0.0001170        
  5   4025.9500000              0.0004210        
  6   1590.7600000              0.0014440        
  7    692.1700000              0.0045510        
  8    322.4500000              0.0127820        
  9    157.5390000              0.0301060        
 10     79.5406000              0.0547220        
 11     41.0712000              0.0627290        
 12     21.5218000             -0.0065180        
 13     11.3695000             -0.1412030        
 14      6.0122400             -0.2524050        
 15      3.1533300             -0.1357600        
 16      1.6193400              0.2922750        
 17      0.8011640              0.5296340        
 18      0.3849500              0.3314770        
 19      0.1534890              0.0542130        
 20      0.0654720             -0.0034560        
P   20
  1 1081950.0000000            -0.0000010        
  2 178505.0000000             -0.0000020        
  3  40400.2000000             -0.0000090        
  4  11646.1000000             -0.0000320        
  5   4025.9500000             -0.0001160        
  6   1590.7600000             -0.0003980        
  7    692.1700000             -0.0012590        
  8    322.4500000             -0.0035260        
  9    157.5390000             -0.0083400        
 10     79.5406000             -0.0151020        
 11     41.0712000             -0.0174760        
 12     21.5218000              0.0023180        
 13     11.3695000              0.0396640        
 14      6.0122400              0.0740170        
 15      3.1533300              0.0359800        
 16      1.6193400             -0.0977950        
 17      0.8011640             -0.2127080        
 18      0.3849500             -0.1204140        
 19      0.1534890              0.2917430        
 20      0.0654720              0.5912140        
P   20
  1 1081950.0000000            -0.0000010        
  2 178505.0000000             -0.0000030        
  3  40400.2000000             -0.0000130        
  4  11646.1000000             -0.0000470        
  5   4025.9500000             -0.0001710        
  6   1590.7600000             -0.0005830        
  7    692.1700000             -0.0018480        
  8    322.4500000             -0.0051640        
  9    157.5390000             -0.0122450        
 10     79.5406000             -0.0221060        
 11     41.0712000             -0.0257350        
 12     21.5218000              0.0035940        
 13     11.3695000              0.0576340        
 14      6.0122400              0.1096990        
 15      3.1533300              0.0520880        
 16      1.6193400             -0.1418920        
 17      0.8011640             -0.3298490        
 18      0.3849500             -0.1568540        
 19      0.1534890              0.6292060        
 20      0.0654720              0.5198610        
P   20
  1 1081950.0000000            -0.0000010        
  2 178505.0000000             -0.0000050        
  3  40400.2000000             -0.0000210        
  4  11646.1000000             -0.0000770        
  5   4025.9500000             -0.0002860        
  6   1590.7600000             -0.0009390        
  7    692.1700000             -0.0031050        
  8    322.4500000             -0.0082690        
  9    157.5390000             -0.0207510        
 10     79.5406000             -0.0348160        
 11     41.0712000             -0.0463250        
 12     21.5218000              0.0147710        
 13     11.3695000              0.0803410        
 14      6.0122400              0.2209270        
 15      3.1533300              0.0334430        
 16      1.6193400             -0.2002930        
 17      0.8011640             -1.0346950        
 18      0.3849500              0.9987380        
 19      0.1534890              0.9322770        
 20      0.0654720             -1.1496270        
P   1
  1      0.0270960              1.0000000        
D   13
  1   2047.1800000              0.0001570        
  2    599.8590000              0.0013530        
  3    224.1360000              0.0081000        
  4     97.1815000              0.0325480        
  5     45.9133000              0.0965810        
  6     22.7242000              0.2118530        
  7     11.5075000              0.3227170        
  8      5.8693800              0.3378230        
  9      2.9685200              0.2005590        
 10      1.4328500              0.0475920        
 11      0.6629510              0.0021660        
 12      0.2940320              0.0004910        
 13      0.1239340             -0.0001120        
D   13
  1   2047.1800000             -0.0000380        
  2    599.8590000             -0.0003270        
  3    224.1360000             -0.0019570        
  4     97.1815000             -0.0079200        
  5     45.9133000             -0.0236740        
  6     22.7242000             -0.0524380        
  7     11.5075000             -0.0771350        
  8      5.8693800             -0.0748630        
  9      2.9685200              0.0085390        
 10      1.4328500              0.1936060        
 11      0.6629510              0.3516780        
 12      0.2940320              0.3741950        
 13      0.1239340              0.2573040        
D   13
  1   2047.1800000              0.0000390        
  2    599.8590000              0.0003390        
  3    224.1360000              0.0020300        
  4     97.1815000              0.0082370        
  5     45.9133000              0.0246380        
  6     22.7242000              0.0547380        
  7     11.5075000              0.0794650        
  8      5.8693800              0.0746190        
  9      2.9685200             -0.0244160        
 10      1.4328500             -0.2434820        
 11      0.6629510             -0.4058840        
 12      0.2940320             -0.0692540        
 13      0.1239340              0.5462220        
D   13
  1   2047.1800000             -0.0000570        
  2    599.8590000             -0.0004800        
  3    224.1360000             -0.0029260        
  4     97.1815000             -0.0117090        
  5     45.9133000             -0.0358010        
  6     22.7242000             -0.0780390        
  7     11.5075000             -0.1128190        
  8      5.8693800             -0.0870670        
  9      2.9685200              0.0687310        
 10      1.4328500              0.4755960        
 11      0.6629510              0.3420330        
 12      0.2940320             -0.8311780        
 13      0.1239340             -0.2779220        
D   1
  1      0.0483960              1.0000000        
F   1
  1      0.9219000              1.0000000        
F   1
  1      0.2533000              1.0000000        
G   1
  1      0.5817000              1.0000000        


name: cc-pVTZ-DK
description: VTZ2P Douglas-Kroll Valence Triple Zeta + Polarization
elt: Mo
data:
MOLYBDENUM
S   25
  1 162227000.0000000           0.0000430        
  2 25688100.0000000            0.0001130        
  3 5428430.0000000             0.0003120        
  4 1432080.0000000             0.0007130        
  5 446571.0000000              0.0015320        
  6 157565.0000000              0.0031310        
  7  60800.4000000              0.0063490        
  8  25011.8000000              0.0129570        
  9  10771.0000000              0.0269590        
 10   4796.8400000              0.0565710        
 11   2193.2000000              0.1154950        
 12   1025.7600000              0.2118170        
 13    490.1640000              0.3050670        
 14    239.3290000              0.2726880        
 15    119.4130000              0.1085990        
 16     60.8193000              0.0311930        
 17     31.5113000              0.0337550        
 18     16.4919000              0.0144760        
 19      8.6161400              0.0066790        
 20      4.4141500              0.0068920        
 21      2.1627000              0.0017280        
 22      1.0461000             -0.0000530        
 23      0.4762780              0.0000120        
 24      0.1268570             -0.0000100        
 25      0.0638610              0.0000060        
S   25
  1 162227000.0000000          -0.0000170        
  2 25688100.0000000           -0.0000460        
  3 5428430.0000000            -0.0001270        
  4 1432080.0000000            -0.0002900        
  5 446571.0000000             -0.0006250        
  6 157565.0000000             -0.0012800        
  7  60800.4000000             -0.0026090        
  8  25011.8000000             -0.0053630        
  9  10771.0000000             -0.0113070        
 10   4796.8400000             -0.0242550        
 11   2193.2000000             -0.0517120        
 12   1025.7600000             -0.1029860        
 13    490.1640000             -0.1749000        
 14    239.3290000             -0.2038080        
 15    119.4130000             -0.0524740        
 16     60.8193000              0.3315870        
 17     31.5113000              0.5329750        
 18     16.4919000              0.2456630        
 19      8.6161400              0.0418160        
 20      4.4141500              0.0205410        
 21      2.1627000              0.0045370        
 22      1.0461000             -0.0002940        
 23      0.4762780             -0.0001050        
 24      0.1268570             -0.0000250        
 25      0.0638610              0.0000120        
S   25
  1 162227000.0000000           0.0000060        
  2 25688100.0000000            0.0000160        
  3 5428430.0000000             0.0000450        
  4 1432080.0000000             0.0001040        
  5 446571.0000000              0.0002230        
  6 157565.0000000              0.0004580        
  7  60800.4000000              0.0009350        
  8  25011.8000000              0.0019260        
  9  10771.0000000              0.0040900        
 10   4796.8400000              0.0088380        
 11   2193.2000000              0.0192220        
 12   1025.7600000              0.0394110        
 13    490.1640000              0.0713080        
 14    239.3290000              0.0899960        
 15    119.4130000              0.0229770        
 16     60.8193000             -0.2304730        
 17     31.5113000             -0.5003740        
 18     16.4919000             -0.2664810        
 19      8.6161400              0.4671500        
 20      4.4141500              0.7226830        
 21      2.1627000              0.1735690        
 22      1.0461000              0.0018230        
 23      0.4762780              0.0025560        
 24      0.1268570             -0.0003390        
 25      0.0638610              0.0002540        
S   25
  1 162227000.0000000          -0.0000020        
  2 25688100.0000000           -0.0000060        
  3 5428430.0000000            -0.0000180        
  4 1432080.0000000            -0.0000400        
  5 446571.0000000             -0.0000870        
  6 157565.0000000             -0.0001780        
  7  60800.4000000             -0.0003640        
  8  25011.8000000             -0.0007510        
  9  10771.0000000             -0.0015920        
 10   4796.8400000             -0.0034440        
 11   2193.2000000             -0.0074690        
 12   1025.7600000             -0.0153240        
 13    490.1640000             -0.0276010        
 14    239.3290000             -0.0350830        
 15    119.4130000             -0.0088450        
 16     60.8193000              0.0935010        
 17     31.5113000              0.2216680        
 18     16.4919000              0.1190100        
 19      8.6161400             -0.2618900        
 20      4.4141500             -0.6954170        
 21      2.1627000             -0.1131260        
 22      1.0461000              0.7962080        
 23      0.4762780              0.5331810        
 24      0.1268570              0.0387520        
 25      0.0638610             -0.0137460        
S   25
  1 162227000.0000000           0.0000010        
  2 25688100.0000000            0.0000020        
  3 5428430.0000000             0.0000050        
  4 1432080.0000000             0.0000110        
  5 446571.0000000              0.0000240        
  6 157565.0000000              0.0000490        
  7  60800.4000000              0.0000990        
  8  25011.8000000              0.0002050        
  9  10771.0000000              0.0004350        
 10   4796.8400000              0.0009410        
 11   2193.2000000              0.0020390        
 12   1025.7600000              0.0041890        
 13    490.1640000              0.0075440        
 14    239.3290000              0.0096130        
 15    119.4130000              0.0024130        
 16     60.8193000             -0.0258250        
 17     31.5113000             -0.0619260        
 18     16.4919000             -0.0334550        
 19      8.6161400              0.0758980        
 20      4.4141500              0.2199000        
 21      2.1627000              0.0297750        
 22      1.0461000             -0.3303870        
 23      0.4762780             -0.3598590        
 24      0.1268570              0.2478020        
 25      0.0638610              0.6410330        
S   25
  1 162227000.0000000           0.0000010        
  2 25688100.0000000            0.0000030        
  3 5428430.0000000             0.0000090        
  4 1432080.0000000             0.0000210        
  5 446571.0000000              0.0000450        
  6 157565.0000000              0.0000910        
  7  60800.4000000              0.0001890        
  8  25011.8000000              0.0003780        
  9  10771.0000000              0.0008380        
 10   4796.8400000              0.0017090        
 11   2193.2000000              0.0039900        
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 13    490.1640000              0.0152260        
 14    239.3290000              0.0155120        
 15    119.4130000              0.0107860        
 16     60.8193000             -0.0632730        
 17     31.5113000             -0.0871520        
 18     16.4919000             -0.1252170        
 19      8.6161400              0.2657180        
 20      4.4141500              0.2413300        
 21      2.1627000              0.4142440        
 22      1.0461000             -1.5497140        
 23      0.4762780              0.2795180        
 24      0.1268570              2.3193200        
 25      0.0638610             -1.4392150        
S   25
  1 162227000.0000000           0.0000020        
  2 25688100.0000000            0.0000050        
  3 5428430.0000000             0.0000140        
  4 1432080.0000000             0.0000320        
  5 446571.0000000              0.0000690        
  6 157565.0000000              0.0001400        
  7  60800.4000000              0.0002920        
  8  25011.8000000              0.0005780        
  9  10771.0000000              0.0013010        
 10   4796.8400000              0.0026000        
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 12   1025.7600000              0.0112900        
 13    490.1640000              0.0240220        
 14    239.3290000              0.0226650        
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 16     60.8193000             -0.1063440        
 17     31.5113000             -0.1260250        
 18     16.4919000             -0.2195240        
 19      8.6161400              0.4965450        
 20      4.4141500              0.3930060        
 21      2.1627000              0.5776010        
 22      1.0461000             -3.7540260        
 23      0.4762780              3.8634390        
 24      0.1268570             -1.2209960        
 25      0.0638610             -1.1453990        
S   1
  1      0.0281070              1.0000000        
P   20
  1 1206380.0000000             0.0000150        
  2 200084.0000000              0.0000550        
  3  45281.8000000              0.0002070        
  4  13010.1000000              0.0007480        
  5   4474.9900000              0.0026550        
  6   1758.5000000              0.0090060        
  7    761.2450000              0.0280320        
  8    353.1500000              0.0771040        
  9    172.0400000              0.1752570        
 10     86.7370000              0.3039310        
 11     44.7887000              0.3475700        
 12     23.5044000              0.2025980        
 13     12.4520000              0.0425910        
 14      6.6120500             -0.0028980        
 15      3.4870300             -0.0036770        
 16      1.8033000             -0.0005880        
 17      0.8939430              0.0000180        
 18      0.4285930              0.0000700        
 19      0.1701960              0.0000020        
 20      0.0716650              0.0000020        
P   20
  1 1206380.0000000            -0.0000060        
  2 200084.0000000             -0.0000230        
  3  45281.8000000             -0.0000870        
  4  13010.1000000             -0.0003160        
  5   4474.9900000             -0.0011260        
  6   1758.5000000             -0.0038440        
  7    761.2450000             -0.0121250        
  8    353.1500000             -0.0341830        
  9    172.0400000             -0.0808960        
 10     86.7370000             -0.1480080        
 11     44.7887000             -0.1740180        
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 14      6.6120500              0.4869490        
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 16      1.8033000              0.0473630        
 17      0.8939430             -0.0003780        
 18      0.4285930             -0.0023640        
 19      0.1701960             -0.0001630        
 20      0.0716650             -0.0000630        
P   20
  1 1206380.0000000             0.0000020        
  2 200084.0000000              0.0000080        
  3  45281.8000000              0.0000320        
  4  13010.1000000              0.0001160        
  5   4474.9900000              0.0004140        
  6   1758.5000000              0.0014130        
  7    761.2450000              0.0044670        
  8    353.1500000              0.0126280        
  9    172.0400000              0.0300720        
 10     86.7370000              0.0554390        
 11     44.7887000              0.0656020        
 12     23.5044000             -0.0014620        
 13     12.4520000             -0.1396540        
 14      6.6120500             -0.2601410        
 15      3.4870300             -0.1484840        
 16      1.8033000              0.2907740        
 17      0.8939430              0.5350980        
 18      0.4285930              0.3336620        
 19      0.1701960              0.0538120        
 20      0.0716650             -0.0033760        
P   20
  1 1206380.0000000             0.0000010        
  2 200084.0000000              0.0000020        
  3  45281.8000000              0.0000090        
  4  13010.1000000              0.0000320        
  5   4474.9900000              0.0001130        
  6   1758.5000000              0.0003870        
  7    761.2450000              0.0012260        
  8    353.1500000              0.0034590        
  9    172.0400000              0.0082700        
 10     86.7370000              0.0151950        
 11     44.7887000              0.0181410        
 12     23.5044000             -0.0008960        
 13     12.4520000             -0.0390370        
 14      6.6120500             -0.0757210        
 15      3.4870300             -0.0397200        
 16      1.8033000              0.0976010        
 17      0.8939430              0.2133040        
 18      0.4285930              0.1173450        
 19      0.1701960             -0.2870540        
 20      0.0716650             -0.5891390        
P   20
  1 1206380.0000000            -0.0000010        
  2 200084.0000000             -0.0000040        
  3  45281.8000000             -0.0000140        
  4  13010.1000000             -0.0000490        
  5   4474.9900000             -0.0001750        
  6   1758.5000000             -0.0005950        
  7    761.2450000             -0.0018950        
  8    353.1500000             -0.0053190        
  9    172.0400000             -0.0127850        
 10     86.7370000             -0.0233360        
 11     44.7887000             -0.0282080        
 12     23.5044000              0.0018820        
 13     12.4520000              0.0591650        
 14      6.6120500              0.1192730        
 15      3.4870300              0.0589200        
 16      1.8033000             -0.1483110        
 17      0.8939430             -0.3626210        
 18      0.4285930             -0.1214220        
 19      0.1701960              0.6465160        
 20      0.0716650              0.4914620        
P   20
  1 1206380.0000000            -0.0000020        
  2 200084.0000000             -0.0000060        
  3  45281.8000000             -0.0000220        
  4  13010.1000000             -0.0000780        
  5   4474.9900000             -0.0002890        
  6   1758.5000000             -0.0009480        
  7    761.2450000             -0.0031370        
  8    353.1500000             -0.0084320        
  9    172.0400000             -0.0213280        
 10     86.7370000             -0.0364610        
 11     44.7887000             -0.0495890        
 12     23.5044000              0.0115670        
 13     12.4520000              0.0832840        
 14      6.6120500              0.2325200        
 15      3.4870300              0.0500170        
 16      1.8033000             -0.2401780        
 17      0.8939430             -1.0327420        
 18      0.4285930              1.0666440        
 19      0.1701960              0.8318460        
 20      0.0716650             -1.1222900        
P   1
  1      0.0292390              1.0000000        
D   13
  1   2176.1800000              0.0001630        
  2    623.7920000              0.0014450        
  3    231.7980000              0.0086280        
  4    100.5040000              0.0344030        
  5     47.5065000              0.1016110        
  6     23.5103000              0.2202730        
  7     11.9078000              0.3299860        
  8      6.0820200              0.3348450        
  9      3.0807100              0.1856540        
 10      1.4852500              0.0393380        
 11      0.6892400              0.0014100        
 12      0.3073880              0.0004510        
 13      0.1305320             -0.0000990        
D   13
  1   2176.1800000             -0.0000420        
  2    623.7920000             -0.0003760        
  3    231.7980000             -0.0022460        
  4    100.5040000             -0.0090320        
  5     47.5065000             -0.0268800        
  6     23.5103000             -0.0588460        
  7     11.9078000             -0.0847910        
  8      6.0820200             -0.0784200        
  9      3.0807100              0.0257280        
 10      1.4852500              0.2293670        
 11      0.6892400              0.3725650        
 12      0.3073880              0.3577360        
 13      0.1305320              0.2187660        
D   13
  1   2176.1800000              0.0000430        
  2    623.7920000              0.0003800        
  3    231.7980000              0.0022850        
  4    100.5040000              0.0091540        
  5     47.5065000              0.0274530        
  6     23.5103000              0.0598630        
  7     11.9078000              0.0857070        
  8      6.0820200              0.0730670        
  9      3.0807100             -0.0421480        
 10      1.4852500             -0.2892500        
 11      0.6892400             -0.3951860        
 12      0.3073880              0.0520610        
 13      0.1305320              0.5781250        
D   13
  1   2176.1800000             -0.0000640        
  2    623.7920000             -0.0005580        
  3    231.7980000             -0.0033850        
  4    100.5040000             -0.0134850        
  5     47.5065000             -0.0410260        
  6     23.5103000             -0.0885620        
  7     11.9078000             -0.1236640        
  8      6.0820200             -0.0878110        
  9      3.0807100              0.1169900        
 10      1.4852500              0.5726770        
 11      0.6892400              0.1386100        
 12      0.3073880             -0.9149480        
 13      0.1305320              0.0060120        
D   1
  1      0.0512460              1.0000000        
F   1
  1      1.1156000              1.0000000        
F   1
  1      0.3136000              1.0000000        
G   1
  1      0.7188000              1.0000000        


name: cc-pVTZ-DK
description: VTZ2P Douglas-Kroll Valence Triple Zeta + Polarization
elt: Tc
data:
TECHNETIUM
S   25
  1 178961000.0000000           0.0000430        
  2 28148200.0000000            0.0001140        
  3 5914010.0000000             0.0003140        
  4 1552760.0000000             0.0007180        
  5 482395.0000000              0.0015410        
  6 169737.0000000              0.0031420        
  7  65376.0000000              0.0063430        
  8  26865.3000000              0.0128650        
  9  11564.1000000              0.0265800        
 10   5150.3200000              0.0553900        
 11   2355.6900000              0.1125490        
 12   1102.3400000              0.2063370        
 13    527.0590000              0.2990520        
 14    257.4680000              0.2719330        
 15    128.5040000              0.1126190        
 16     65.4587000              0.0375590        
 17     33.9144000              0.0437580        
 18     17.7481000              0.0196590        
 19      9.2726700              0.0081340        
 20      4.7523800              0.0081610        
 21      2.3310300              0.0020330        
 22      1.1301700             -0.0000570        
 23      0.5131080              0.0000130        
 24      0.1304190             -0.0000100        
 25      0.0638980              0.0000070        
S   25
  1 178961000.0000000          -0.0000190        
  2 28148200.0000000           -0.0000490        
  3 5914010.0000000            -0.0001350        
  4 1552760.0000000            -0.0003090        
  5 482395.0000000             -0.0006650        
  6 169737.0000000             -0.0013590        
  7  65376.0000000             -0.0027560        
  8  26865.3000000             -0.0056310        
  9  11564.1000000             -0.0117810        
 10   5150.3200000             -0.0250750        
 11   2355.6900000             -0.0530900        
 12   1102.3400000             -0.1052320        
 13    527.0590000             -0.1783810        
 14    257.4680000             -0.2095460        
 15    128.5040000             -0.0629670        
 16     65.4587000              0.3179020        
 17     33.9144000              0.5332110        
 18     17.7481000              0.2551560        
 19      9.2726700              0.0449990        
 20      4.7523800              0.0227030        
 21      2.3310300              0.0049700        
 22      1.1301700             -0.0002370        
 23      0.5131080             -0.0000920        
 24      0.1304190             -0.0000180        
 25      0.0638980              0.0000080        
S   25
  1 178961000.0000000           0.0000060        
  2 28148200.0000000            0.0000170        
  3 5914010.0000000             0.0000460        
  4 1552760.0000000             0.0001060        
  5 482395.0000000              0.0002290        
  6 169737.0000000              0.0004680        
  7  65376.0000000              0.0009530        
  8  26865.3000000              0.0019510        
  9  11564.1000000              0.0041130        
 10   5150.3200000              0.0088260        
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 12   1102.3400000              0.0390900        
 13    527.0590000              0.0709630        
 14    257.4680000              0.0909350        
 15    128.5040000              0.0274540        
 16     65.4587000             -0.2234740        
 17     33.9144000             -0.5028100        
 18     17.7481000             -0.2858970        
 19      9.2726700              0.4598010        
 20      4.7523800              0.7330610        
 21      2.3310300              0.1760240        
 22      1.1301700              0.0021870        
 23      0.5131080              0.0024930        
 24      0.1304190             -0.0002820        
 25      0.0638980              0.0002220        
S   25
  1 178961000.0000000          -0.0000030        
  2 28148200.0000000           -0.0000070        
  3 5914010.0000000            -0.0000180        
  4 1552760.0000000            -0.0000420        
  5 482395.0000000             -0.0000910        
  6 169737.0000000             -0.0001850        
  7  65376.0000000             -0.0003770        
  8  26865.3000000             -0.0007720        
  9  11564.1000000             -0.0016260        
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 13    527.0590000             -0.0278620        
 14    257.4680000             -0.0359250        
 15    128.5040000             -0.0107650        
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 17     33.9144000              0.2257930        
 18     17.7481000              0.1309140        
 19      9.2726700             -0.2642190        
 20      4.7523800             -0.7202240        
 21      2.3310300             -0.1028710        
 22      1.1301700              0.8117620        
 23      0.5131080              0.5218420        
 24      0.1304190              0.0351890        
 25      0.0638980             -0.0127690        
S   25
  1 178961000.0000000           0.0000010        
  2 28148200.0000000            0.0000020        
  3 5914010.0000000             0.0000050        
  4 1552760.0000000             0.0000110        
  5 482395.0000000              0.0000240        
  6 169737.0000000              0.0000500        
  7  65376.0000000              0.0001010        
  8  26865.3000000              0.0002070        
  9  11564.1000000              0.0004350        
 10   5150.3200000              0.0009350        
 11   2355.6900000              0.0020160        
 12   1102.3400000              0.0041320        
 13    527.0590000              0.0074660        
 14    257.4680000              0.0096460        
 15    128.5040000              0.0028900        
 16     65.4587000             -0.0248900        
 17     33.9144000             -0.0618080        
 18     17.7481000             -0.0362310        
 19      9.2726700              0.0754020        
 20      4.7523800              0.2236020        
 21      2.3310300              0.0248900        
 22      1.1301700             -0.3329940        
 23      0.5131080             -0.3418400        
 24      0.1304190              0.2850890        
 25      0.0638980              0.6232290        
S   25
  1 178961000.0000000           0.0000010        
  2 28148200.0000000            0.0000030        
  3 5914010.0000000             0.0000090        
  4 1552760.0000000             0.0000220        
  5 482395.0000000              0.0000470        
  6 169737.0000000              0.0000950        
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  8  26865.3000000              0.0003890        
  9  11564.1000000              0.0008580        
 10   5150.3200000              0.0017310        
 11   2355.6900000              0.0040390        
 12   1102.3400000              0.0074900        
 13    527.0590000              0.0154580        
 14    257.4680000              0.0157540        
 15    128.5040000              0.0122800        
 16     65.4587000             -0.0635560        
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 19      9.2726700              0.2761530        
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 21      2.3310300              0.4418520        
 22      1.1301700             -1.6460860        
 23      0.5131080              0.4232050        
 24      0.1304190              2.2050540        
 25      0.0638980             -1.4702530        
S   25
  1 178961000.0000000           0.0000020        
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  3 5914010.0000000             0.0000150        
  4 1552760.0000000             0.0000330        
  5 482395.0000000              0.0000720        
  6 169737.0000000              0.0001460        
  7  65376.0000000              0.0003030        
  8  26865.3000000              0.0006030        
  9  11564.1000000              0.0013250        
 10   5150.3200000              0.0026850        
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 12   1102.3400000              0.0116520        
 13    527.0590000              0.0238440        
 14    257.4680000              0.0248310        
 15    128.5040000              0.0182700        
 16     65.4587000             -0.0979380        
 17     33.9144000             -0.1470280        
 18     17.7481000             -0.1982040        
 19      9.2726700              0.4388850        
 20      4.7523800              0.5325560        
 21      2.3310300              0.4184560        
 22      1.1301700             -3.6812570        
 23      0.5131080              3.8999050        
 24      0.1304190             -1.5926540        
 25      0.0638980             -0.6172010        
S   1
  1      0.0284770              1.0000000        
P   20
  1 1341110.0000000             0.0000150        
  2 223449.0000000              0.0000540        
  3  50289.1000000              0.0002060        
  4  14301.8000000              0.0007400        
  5   4864.9100000              0.0026260        
  6   1893.2600000              0.0089310        
  7    813.7200000              0.0278940        
  8    375.8210000              0.0769050        
  9    182.6910000              0.1751450        
 10     92.0455000              0.3045590        
 11     47.5245000              0.3498630        
 12     24.9323000              0.2044260        
 13     13.1975000              0.0401360        
 14      7.0011400             -0.0078320        
 15      3.6931800             -0.0064270        
 16      1.9177400             -0.0009580        
 17      0.9528720              0.0000480        
 18      0.4573390              0.0001060        
 19      0.1805310              0.0000040        
 20      0.0752910              0.0000030        
P   20
  1 1341110.0000000            -0.0000060        
  2 223449.0000000             -0.0000230        
  3  50289.1000000             -0.0000850        
  4  14301.8000000             -0.0003070        
  5   4864.9100000             -0.0010940        
  6   1893.2600000             -0.0037460        
  7    813.7200000             -0.0118550        
  8    375.8210000             -0.0335210        
  9    182.6910000             -0.0795270        
 10     92.0455000             -0.1460930        
 11     47.5245000             -0.1725010        
 12     24.9323000             -0.0163100        
 13     13.1975000              0.2987230        
 14      7.0011400              0.4925100        
 15      3.6931800              0.2883970        
 16      1.9177400              0.0435590        
 17      0.9528720             -0.0007580        
 18      0.4573390             -0.0025530        
 19      0.1805310             -0.0001370        
 20      0.0752910             -0.0000690        
P   20
  1 1341110.0000000             0.0000020        
  2 223449.0000000              0.0000090        
  3  50289.1000000              0.0000330        
  4  14301.8000000              0.0001170        
  5   4864.9100000              0.0004190        
  6   1893.2600000              0.0014340        
  7    813.7200000              0.0045490        
  8    375.8210000              0.0128910        
  9    182.6910000              0.0307600        
 10     92.0455000              0.0568800        
 11     47.5245000              0.0675890        
 12     24.9323000             -0.0012950        
 13     13.1975000             -0.1455070        
 14      7.0011400             -0.2719500        
 15      3.6931800             -0.1411130        
 16      1.9177400              0.3140090        
 17      0.9528720              0.5364510        
 18      0.4573390              0.3167580        
 19      0.1805310              0.0478290        
 20      0.0752910             -0.0030480        
P   20
  1 1341110.0000000            -0.0000010        
  2 223449.0000000             -0.0000020        
  3  50289.1000000             -0.0000090        
  4  14301.8000000             -0.0000320        
  5   4864.9100000             -0.0001130        
  6   1893.2600000             -0.0003850        
  7    813.7200000             -0.0012240        
  8    375.8210000             -0.0034600        
  9    182.6910000             -0.0082870        
 10     92.0455000             -0.0152770        
 11     47.5245000             -0.0183080        
 12     24.9323000              0.0008390        
 13     13.1975000              0.0399270        
 14      7.0011400              0.0775620        
 15      3.6931800              0.0366150        
 16      1.9177400             -0.1039740        
 17      0.9528720             -0.2105780        
 18      0.4573390             -0.1018400        
 19      0.1805310              0.2924190        
 20      0.0752910              0.5825860        
P   20
  1 1341110.0000000            -0.0000010        
  2 223449.0000000             -0.0000040        
  3  50289.1000000             -0.0000140        
  4  14301.8000000             -0.0000510        
  5   4864.9100000             -0.0001840        
  6   1893.2600000             -0.0006260        
  7    813.7200000             -0.0020040        
  8    375.8210000             -0.0056270        
  9    182.6910000             -0.0135870        
 10     92.0455000             -0.0247950        
 11     47.5245000             -0.0302750        
 12     24.9323000              0.0022220        
 13     13.1975000              0.0637270        
 14      7.0011400              0.1306480        
 15      3.6931800              0.0554210        
 16      1.9177400             -0.1678540        
 17      0.9528720             -0.3953770        
 18      0.4573390             -0.0513970        
 19      0.1805310              0.6680980        
 20      0.0752910              0.4465640        
P   20
  1 1341110.0000000            -0.0000020        
  2 223449.0000000             -0.0000060        
  3  50289.1000000             -0.0000230        
  4  14301.8000000             -0.0000820        
  5   4864.9100000             -0.0002990        
  6   1893.2600000             -0.0009910        
  7    813.7200000             -0.0032650        
  8    375.8210000             -0.0088730        
  9    182.6910000             -0.0222830        
 10     92.0455000             -0.0386770        
 11     47.5245000             -0.0517820        
 12     24.9323000              0.0107390        
 13     13.1975000              0.0937030        
 14      7.0011400              0.2422200        
 15      3.6931800              0.0577850        
 16      1.9177400             -0.3227350        
 17      0.9528720             -1.0029390        
 18      0.4573390              1.2167690        
 19      0.1805310              0.6344150        
 20      0.0752910             -1.0760190        
P   1
  1      0.0304790              1.0000000        
D   13
  1   2481.8700000              0.0001470        
  2    697.0580000              0.0013290        
  3    257.4370000              0.0079720        
  4    111.6320000              0.0320700        
  5     52.8611000              0.0959310        
  6     26.2047000              0.2127570        
  7     13.2981000              0.3266690        
  8      6.8185100              0.3388620        
  9      3.4826200              0.1933480        
 10      1.7064600              0.0433620        
 11      0.8045800              0.0020080        
 12      0.3630130              0.0004560        
 13      0.1545410             -0.0000580        
D   13
  1   2481.8700000             -0.0000400        
  2    697.0580000             -0.0003670        
  3    257.4370000             -0.0022000        
  4    111.6320000             -0.0089220        
  5     52.8611000             -0.0269030        
  6     26.2047000             -0.0603340        
  7     13.2981000             -0.0893810        
  8      6.8185100             -0.0847870        
  9      3.4826200              0.0209990        
 10      1.7064600              0.2292420        
 11      0.8045800              0.3731980        
 12      0.3630130              0.3559500        
 13      0.1545410              0.2172430        
D   13
  1   2481.8700000              0.0000400        
  2    697.0580000              0.0003580        
  3    257.4370000              0.0021620        
  4    111.6320000              0.0087300        
  5     52.8611000              0.0265440        
  6     26.2047000              0.0593390        
  7     13.2981000              0.0873960        
  8      6.8185100              0.0756220        
  9      3.4826200             -0.0335180        
 10      1.7064600             -0.2818520        
 11      0.8045800             -0.3974720        
 12      0.3630130              0.0432450        
 13      0.1545410              0.5763730        
D   13
  1   2481.8700000             -0.0000630        
  2    697.0580000             -0.0005610        
  3    257.4370000             -0.0034270        
  4    111.6320000             -0.0137590        
  5     52.8611000             -0.0424820        
  6     26.2047000             -0.0941600        
  7     13.2981000             -0.1349860        
  8      6.8185100             -0.0964510        
  9      3.4826200              0.1169460        
 10      1.7064600              0.6181420        
 11      0.8045800              0.1134760        
 12      0.3630130             -0.9378260        
 13      0.1545410              0.0451100        
D   1
  1      0.0602240              1.0000000        
F   1
  1      1.3052000              1.0000000        
F   1
  1      0.3737000              1.0000000        
G   1
  1      0.8539000              1.0000000        


name: cc-pVTZ-DK
description: VTZ2P Douglas-Kroll Valence Triple Zeta + Polarization
elt: Ru
data:
RUTHENIUM
S   25
  1 192708000.0000000           0.0000430        
  2 30168800.0000000            0.0001140        
  3 6339070.0000000             0.0003130        
  4 1668940.0000000             0.0007100        
  5 520455.0000000              0.0015130        
  6 183800.0000000              0.0030630        
  7  70986.5000000              0.0061410        
  8  29211.0000000              0.0123760        
  9  12572.0000000              0.0254270        
 10   5590.3500000              0.0527840        
 11   2549.9300000              0.1071880        
 12   1189.0600000              0.1971680        
 13    566.3840000              0.2875370        
 14    275.7140000              0.2633660        
 15    137.2420000              0.1126640        
 16     69.8096000              0.0551880        
 17     36.1751000              0.0735220        
 18     18.9686000              0.0345760        
 19      9.9474900              0.0113210        
 20      5.1249000              0.0102330        
 21      2.5290800              0.0025890        
 22      1.2282400             -0.0000550        
 23      0.5576660              0.0000190        
 24      0.1412190             -0.0000110        
 25      0.0677970              0.0000070        
S   25
  1 192708000.0000000          -0.0000220        
  2 30168800.0000000           -0.0000570        
  3 6339070.0000000            -0.0001560        
  4 1668940.0000000            -0.0003550        
  5 520455.0000000             -0.0007580        
  6 183800.0000000             -0.0015390        
  7  70986.5000000             -0.0030990        
  8  29211.0000000             -0.0062850        
  9  12572.0000000             -0.0130610        
 10   5590.3500000             -0.0276330        
 11   2549.9300000             -0.0582250        
 12   1189.0600000             -0.1149260        
 13    566.3840000             -0.1935060        
 14    275.7140000             -0.2260240        
 15    137.2420000             -0.0751900        
 16     69.8096000              0.3072190        
 17     36.1751000              0.5283130        
 18     18.9686000              0.2587270        
 19      9.9474900              0.0479550        
 20      5.1249000              0.0251360        
 21      2.5290800              0.0057370        
 22      1.2282400             -0.0001660        
 23      0.5576660             -0.0000400        
 24      0.1412190             -0.0000170        
 25      0.0677970              0.0000090        
S   25
  1 192708000.0000000           0.0000070        
  2 30168800.0000000            0.0000180        
  3 6339070.0000000             0.0000480        
  4 1668940.0000000             0.0001100        
  5 520455.0000000              0.0002340        
  6 183800.0000000              0.0004760        
  7  70986.5000000              0.0009620        
  8  29211.0000000              0.0019580        
  9  12572.0000000              0.0041060        
 10   5590.3500000              0.0087800        
 11   2549.9300000              0.0189830        
 12   1189.0600000              0.0389780        
 13    566.3840000              0.0712210        
 14    275.7140000              0.0925470        
 15    137.2420000              0.0306350        
 16     69.8096000             -0.2207380        
 17     36.1751000             -0.5059410        
 18     18.9686000             -0.2986110        
 19      9.9474900              0.4492940        
 20      5.1249000              0.7395890        
 21      2.5290800              0.1826020        
 22      1.2282400              0.0034490        
 23      0.5576660              0.0029330        
 24      0.1412190             -0.0002380        
 25      0.0677970              0.0002020        
S   25
  1 192708000.0000000          -0.0000030        
  2 30168800.0000000           -0.0000070        
  3 6339070.0000000            -0.0000190        
  4 1668940.0000000            -0.0000440        
  5 520455.0000000             -0.0000940        
  6 183800.0000000             -0.0001910        
  7  70986.5000000             -0.0003850        
  8  29211.0000000             -0.0007830        
  9  12572.0000000             -0.0016400        
 10   5590.3500000             -0.0035080        
 11   2549.9300000             -0.0075650        
 12   1189.0600000             -0.0155340        
 13    566.3840000             -0.0282560        
 14    275.7140000             -0.0369270        
 15    137.2420000             -0.0121770        
 16     69.8096000              0.0918450        
 17     36.1751000              0.2302230        
 18     18.9686000              0.1396390        
 19      9.9474900             -0.2641930        
 20      5.1249000             -0.7396320        
 21      2.5290800             -0.1040900        
 22      1.2282400              0.8185660        
 23      0.5576660              0.5210750        
 24      0.1412190              0.0347060        
 25      0.0677970             -0.0119300        
S   25
  1 192708000.0000000           0.0000010        
  2 30168800.0000000            0.0000020        
  3 6339070.0000000             0.0000050        
  4 1668940.0000000             0.0000120        
  5 520455.0000000              0.0000250        
  6 183800.0000000              0.0000500        
  7  70986.5000000              0.0001010        
  8  29211.0000000              0.0002070        
  9  12572.0000000              0.0004320        
 10   5590.3500000              0.0009250        
 11   2549.9300000              0.0019940        
 12   1189.0600000              0.0040990        
 13    566.3840000              0.0074550        
 14    275.7140000              0.0097680        
 15    137.2420000              0.0032110        
 16     69.8096000             -0.0244990        
 17     36.1751000             -0.0621450        
 18     18.9686000             -0.0380230        
 19      9.9474900              0.0742580        
 20      5.1249000              0.2271880        
 21      2.5290800              0.0232510        
 22      1.2282400             -0.3313700        
 23      0.5576660             -0.3331680        
 24      0.1412190              0.2761890        
 25      0.0677970              0.6217720        
S   25
  1 192708000.0000000           0.0000010        
  2 30168800.0000000            0.0000040        
  3 6339070.0000000             0.0000100        
  4 1668940.0000000             0.0000240        
  5 520455.0000000              0.0000510        
  6 183800.0000000              0.0001020        
  7  70986.5000000              0.0002090        
  8  29211.0000000              0.0004130        
  9  12572.0000000              0.0009030        
 10   5590.3500000              0.0018220        
 11   2549.9300000              0.0042320        
 12   1189.0600000              0.0079160        
 13    566.3840000              0.0163240        
 14    275.7140000              0.0171370        
 15    137.2420000              0.0133870        
 16     69.8096000             -0.0661850        
 17     36.1751000             -0.0942920        
 18     18.9686000             -0.1476670        
 19      9.9474900              0.2896810        
 20      5.1249000              0.2757290        
 21      2.5290800              0.4451830        
 22      1.2282400             -1.7607630        
 23      0.5576660              0.5554240        
 24      0.1412190              2.0537870        
 25      0.0677970             -1.3630430        
S   25
  1 192708000.0000000           0.0000020        
  2 30168800.0000000            0.0000050        
  3 6339070.0000000             0.0000150        
  4 1668940.0000000             0.0000340        
  5 520455.0000000              0.0000720        
  6 183800.0000000              0.0001470        
  7  70986.5000000              0.0002990        
  8  29211.0000000              0.0005990        
  9  12572.0000000              0.0012830        
 10   5590.3500000              0.0026640        
 11   2549.9300000              0.0059650        
 12   1189.0600000              0.0117050        
 13    566.3840000              0.0226950        
 14    275.7140000              0.0267800        
 15    137.2420000              0.0143220        
 16     69.8096000             -0.0845700        
 17     36.1751000             -0.1692620        
 18     18.9686000             -0.1546610        
 19      9.9474900              0.3409410        
 20      5.1249000              0.6767680        
 21      2.5290800              0.2555380        
 22      1.2282400             -3.5119980        
 23      0.5576660              3.7906500        
 24      0.1412190             -1.5455260        
 25      0.0677970             -0.6554390        
S   1
  1      0.0299500              1.0000000        
P   20
  1 1452000.0000000             0.0000160        
  2 242440.0000000              0.0000550        
  3  54514.6000000              0.0002070        
  4  15468.7000000              0.0007370        
  5   5248.3500000              0.0025880        
  6   2037.6900000              0.0087400        
  7    874.0680000              0.0272330        
  8    403.0030000              0.0752290        
  9    195.5710000              0.1724010        
 10     98.3394000              0.3026450        
 11     50.6490000              0.3516500        
 12     26.4932000              0.2078440        
 13     13.9803000              0.0417110        
 14      7.3979000             -0.0064740        
 15      3.9002600             -0.0054520        
 16      2.0320700             -0.0007630        
 17      1.0086100              0.0000240        
 18      0.4819550              0.0000870        
 19      0.1850400             -0.0000010        
 20      0.0762420              0.0000030        
P   20
  1 1452000.0000000            -0.0000070        
  2 242440.0000000             -0.0000230        
  3  54514.6000000             -0.0000870        
  4  15468.7000000             -0.0003110        
  5   5248.3500000             -0.0010960        
  6   2037.6900000             -0.0037280        
  7    874.0680000             -0.0117680        
  8    403.0030000             -0.0333290        
  9    195.5710000             -0.0795170        
 10     98.3394000             -0.1474680        
 11     50.6490000             -0.1762520        
 12     26.4932000             -0.0196990        
 13     13.9803000              0.3033190        
 14      7.3979000              0.4980940        
 15      3.9002600              0.2815930        
 16      2.0320700              0.0404230        
 17      1.0086100             -0.0003950        
 18      0.4819550             -0.0022270        
 19      0.1850400             -0.0000530        
 20      0.0762420             -0.0000720        
P   20
  1 1452000.0000000             0.0000030        
  2 242440.0000000              0.0000090        
  3  54514.6000000              0.0000340        
  4  15468.7000000              0.0001210        
  5   5248.3500000              0.0004250        
  6   2037.6900000              0.0014470        
  7    874.0680000              0.0045760        
  8    403.0030000              0.0129940        
  9    195.5710000              0.0311910        
 10     98.3394000              0.0582600        
 11     50.6490000              0.0701040        
 12     26.4932000             -0.0003640        
 13     13.9803000             -0.1519670        
 14      7.3979000             -0.2839930        
 15      3.9002600             -0.1329090        
 16      2.0320700              0.3370420        
 17      1.0086100              0.5386410        
 18      0.4819550              0.2994580        
 19      0.1850400              0.0409390        
 20      0.0762420             -0.0031450        
P   20
  1 1452000.0000000            -0.0000010        
  2 242440.0000000             -0.0000020        
  3  54514.6000000             -0.0000090        
  4  15468.7000000             -0.0000310        
  5   5248.3500000             -0.0001090        
  6   2037.6900000             -0.0003710        
  7    874.0680000             -0.0011790        
  8    403.0030000             -0.0033370        
  9    195.5710000             -0.0080470        
 10     98.3394000             -0.0149740        
 11     50.6490000             -0.0181950        
 12     26.4932000              0.0006240        
 13     13.9803000              0.0399400        
 14      7.3979000              0.0778640        
 15      3.9002600              0.0321270        
 16      2.0320700             -0.1072560        
 17      1.0086100             -0.2039290        
 18      0.4819550             -0.0832740        
 19      0.1850400              0.3000320        
 20      0.0762420              0.5736740        
P   20
  1 1452000.0000000            -0.0000010        
  2 242440.0000000             -0.0000040        
  3  54514.6000000             -0.0000160        
  4  15468.7000000             -0.0000560        
  5   5248.3500000             -0.0001990        
  6   2037.6900000             -0.0006690        
  7    874.0680000             -0.0021410        
  8    403.0030000             -0.0060000        
  9    195.5710000             -0.0146490        
 10     98.3394000             -0.0268340        
 11     50.6490000             -0.0335550        
 12     26.4932000              0.0026000        
 13     13.9803000              0.0699410        
 14      7.3979000              0.1473520        
 15      3.9002600              0.0507380        
 16      2.0320700             -0.1932550        
 17      1.0086100             -0.4491210        
 18      0.4819550              0.0579430        
 19      0.1850400              0.7129020        
 20      0.0762420              0.3585830        
P   20
  1 1452000.0000000            -0.0000020        
  2 242440.0000000             -0.0000060        
  3  54514.6000000             -0.0000240        
  4  15468.7000000             -0.0000860        
  5   5248.3500000             -0.0003100        
  6   2037.6900000             -0.0010280        
  7    874.0680000             -0.0033530        
  8    403.0030000             -0.0092050        
  9    195.5710000             -0.0230360        
 10     98.3394000             -0.0409390        
 11     50.6490000             -0.0542620        
 12     26.4932000              0.0090420        
 13     13.9803000              0.1061360        
 14      7.3979000              0.2503260        
 15      3.9002600              0.0712790        
 16      2.0320700             -0.4298390        
 17      1.0086100             -0.9502270        
 18      0.4819550              1.4174230        
 19      0.1850400              0.3255950        
 20      0.0762420             -1.0012110        
P   1
  1      0.0306540              1.0000000        
D   13
  1   2542.3500000              0.0001550        
  2    743.0080000              0.0012990        
  3    276.9520000              0.0077890        
  4    119.6690000              0.0319190        
  5     56.3448000              0.0967720        
  6     27.8568000              0.2147630        
  7     14.1591000              0.3281110        
  8      7.2956800              0.3375300        
  9      3.7509000              0.1893340        
 10      1.8552600              0.0417930        
 11      0.8820590              0.0021340        
 12      0.4006220              0.0005090        
 13      0.1713310              0.0000170        
D   13
  1   2542.3500000             -0.0000450        
  2    743.0080000             -0.0003750        
  3    276.9520000             -0.0022530        
  4    119.6690000             -0.0093050        
  5     56.3448000             -0.0284640        
  6     27.8568000             -0.0638600        
  7     14.1591000             -0.0941660        
  8      7.2956800             -0.0878080        
  9      3.7509000              0.0272670        
 10      1.8552600              0.2411360        
 11      0.8820590              0.3760150        
 12      0.4006220              0.3479190        
 13      0.1713310              0.2077240        
D   13
  1   2542.3500000              0.0000440        
  2    743.0080000              0.0003680        
  3    276.9520000              0.0022170        
  4    119.6690000              0.0091350        
  5     56.3448000              0.0281380        
  6     27.8568000              0.0630960        
  7     14.1591000              0.0920460        
  8      7.2956800              0.0779820        
  9      3.7509000             -0.0415170        
 10      1.8552600             -0.3024460        
 11      0.8820590             -0.3908460        
 12      0.4006220              0.0893140        
 13      0.1713310              0.5664890        
D   13
  1   2542.3500000             -0.0000680        
  2    743.0080000             -0.0005600        
  3    276.9520000             -0.0034280        
  4    119.6690000             -0.0139950        
  5     56.3448000             -0.0439260        
  6     27.8568000             -0.0976020        
  7     14.1591000             -0.1382830        
  8      7.2956800             -0.0910010        
  9      3.7509000              0.1225150        
 10      1.8552600              0.6496760        
 11      0.8820590              0.0300890        
 12      0.4006220             -0.9156450        
 13      0.1713310              0.0780680        
D   1
  1      0.0668650              1.0000000        
F   1
  1      1.5074000              1.0000000        
F   1
  1      0.4386000              1.0000000        
G   1
  1      1.0050000              1.0000000        


name: cc-pVTZ-DK
description: VTZ2P Douglas-Kroll Valence Triple Zeta + Polarization
elt: Rh
data:
RHODIUM
S   25
  1 213061000.0000000           0.0000410        
  2 33108100.0000000            0.0001100        
  3 6913440.0000000             0.0003010        
  4 1810980.0000000             0.0006840        
  5 562527.0000000              0.0014550        
  6 198074.0000000              0.0029370        
  7  76340.6000000              0.0058650        
  8  31371.2000000              0.0117520        
  9  13490.6000000              0.0239790        
 10   5996.1200000              0.0494270        
 11   2734.3600000              0.0997830        
 12   1274.8500000              0.1829520        
 13    607.1210000              0.2665460        
 14    295.4460000              0.2442990        
 15    146.9910000              0.1089850        
 16     74.7215000              0.0817500        
 17     38.6938000              0.1214490        
 18     20.2775000              0.0595890        
 19     10.6314000              0.0166220        
 20      5.4796100              0.0135140        
 21      2.7083200              0.0033440        
 22      1.3188500             -0.0000500        
 23      0.6001000              0.0000260        
 24      0.1559670             -0.0000120        
 25      0.0744570              0.0000070        
S   25
  1 213061000.0000000          -0.0000260        
  2 33108100.0000000           -0.0000680        
  3 6913440.0000000            -0.0001870        
  4 1810980.0000000            -0.0004250        
  5 562527.0000000             -0.0009060        
  6 198074.0000000             -0.0018340        
  7  76340.6000000             -0.0036760        
  8  31371.2000000             -0.0074080        
  9  13490.6000000             -0.0152700        
 10   5996.1200000             -0.0320130        
 11   2734.3600000             -0.0667870        
 12   1274.8500000             -0.1304240        
 13    607.1210000             -0.2165740        
 14    295.4460000             -0.2499370        
 15    146.9910000             -0.0927970        
 16     74.7215000              0.2900700        
 17     38.6938000              0.5194750        
 18     20.2775000              0.2618590        
 19     10.6314000              0.0497270        
 20      5.4796100              0.0264760        
 21      2.7083200              0.0059780        
 22      1.3188500             -0.0000730        
 23      0.6001000             -0.0000110        
 24      0.1559670             -0.0000100        
 25      0.0744570              0.0000050        
S   25
  1 213061000.0000000           0.0000070        
  2 33108100.0000000            0.0000180        
  3 6913440.0000000             0.0000490        
  4 1810980.0000000             0.0001130        
  5 562527.0000000              0.0002400        
  6 198074.0000000              0.0004870        
  7  76340.6000000              0.0009810        
  8  31371.2000000              0.0019860        
  9  13490.6000000              0.0041370        
 10   5996.1200000              0.0087900        
 11   2734.3600000              0.0189150        
 12   1274.8500000              0.0387700        
 13    607.1210000              0.0710510        
 14    295.4460000              0.0935170        
 15    146.9910000              0.0345320        
 16     74.7215000             -0.2152480        
 17     38.6938000             -0.5084960        
 18     20.2775000             -0.3143880        
 19     10.6314000              0.4448340        
 20      5.4796100              0.7468470        
 21      2.7083200              0.1836460        
 22      1.3188500              0.0040760        
 23      0.6001000              0.0030130        
 24      0.1559670             -0.0001950        
 25      0.0744570              0.0001740        
S   25
  1 213061000.0000000          -0.0000030        
  2 33108100.0000000           -0.0000070        
  3 6913440.0000000            -0.0000200        
  4 1810980.0000000            -0.0000450        
  5 562527.0000000             -0.0000970        
  6 198074.0000000             -0.0001970        
  7  76340.6000000             -0.0003960        
  8  31371.2000000             -0.0008020        
  9  13490.6000000             -0.0016680        
 10   5996.1200000             -0.0035450        
 11   2734.3600000             -0.0076080        
 12   1274.8500000             -0.0155920        
 13    607.1210000             -0.0284530        
 14    295.4460000             -0.0376360        
 15    146.9910000             -0.0138950        
 16     74.7215000              0.0904650        
 17     38.6938000              0.2336940        
 18     20.2775000              0.1499740        
 19     10.6314000             -0.2678420        
 20      5.4796100             -0.7601190        
 21      2.7083200             -0.0926090        
 22      1.3188500              0.8262530        
 23      0.6001000              0.5128390        
 24      0.1559670              0.0339050        
 25      0.0744570             -0.0105950        
S   25
  1 213061000.0000000           0.0000010        
  2 33108100.0000000            0.0000020        
  3 6913440.0000000             0.0000050        
  4 1810980.0000000             0.0000120        
  5 562527.0000000              0.0000250        
  6 198074.0000000              0.0000510        
  7  76340.6000000              0.0001020        
  8  31371.2000000              0.0002080        
  9  13490.6000000              0.0004320        
 10   5996.1200000              0.0009180        
 11   2734.3600000              0.0019690        
 12   1274.8500000              0.0040410        
 13    607.1210000              0.0073700        
 14    295.4460000              0.0097800        
 15    146.9910000              0.0035900        
 16     74.7215000             -0.0236740        
 17     38.6938000             -0.0620100        
 18     20.2775000             -0.0400480        
 19     10.6314000              0.0739010        
 20      5.4796100              0.2301930        
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 22      1.3188500             -0.3280960        
 23      0.6001000             -0.3218680        
 24      0.1559670              0.2411940        
 25      0.0744570              0.6189110        
S   25
  1 213061000.0000000           0.0000010        
  2 33108100.0000000            0.0000040        
  3 6913440.0000000             0.0000110        
  4 1810980.0000000             0.0000240        
  5 562527.0000000              0.0000520        
  6 198074.0000000              0.0001050        
  7  76340.6000000              0.0002140        
  8  31371.2000000              0.0004220        
  9  13490.6000000              0.0009110        
 10   5996.1200000              0.0018440        
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 12   1274.8500000              0.0079840        
 13    607.1210000              0.0161860        
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 19     10.6314000              0.2716340        
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 22      1.3188500             -1.7098630        
 23      0.6001000              0.5355740        
 24      0.1559670              1.8982110        
 25      0.0744570             -1.0618010        
S   25
  1 213061000.0000000           0.0000020        
  2 33108100.0000000            0.0000050        
  3 6913440.0000000             0.0000150        
  4 1810980.0000000             0.0000340        
  5 562527.0000000              0.0000730        
  6 198074.0000000              0.0001480        
  7  76340.6000000              0.0002980        
  8  31371.2000000              0.0006000        
  9  13490.6000000              0.0012610        
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 13    607.1210000              0.0217940        
 14    295.4460000              0.0277530        
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 19     10.6314000              0.2791770        
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 22      1.3188500             -3.3264750        
 23      0.6001000              3.5716640        
 24      0.1559670             -1.0829530        
 25      0.0744570             -1.1848310        
S   1
  1      0.0322560              1.0000000        
P   20
  1 1586690.0000000             0.0000160        
  2 267081.0000000              0.0000550        
  3  60148.6000000              0.0002050        
  4  17023.4000000              0.0007190        
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  6   2219.3800000              0.0084360        
  7    947.0230000              0.0263400        
  8    434.7980000              0.0731120        
  9    210.4080000              0.1687330        
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 11     54.4289000              0.3522800        
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 17      1.0946600              0.0000190        
 18      0.5241370              0.0000800        
 19      0.2041700             -0.0000010        
 20      0.0842270              0.0000030        
P   20
  1 1586690.0000000            -0.0000070        
  2 267081.0000000             -0.0000240        
  3  60148.6000000             -0.0000870        
  4  17023.4000000             -0.0003070        
  5   5748.1500000             -0.0010740        
  6   2219.3800000             -0.0036410        
  7    947.0230000             -0.0115130        
  8    434.7980000             -0.0327470        
  9    210.4080000             -0.0786590        
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 18      0.5241370             -0.0021210        
 19      0.2041700             -0.0000250        
 20      0.0842270             -0.0000780        
P   20
  1 1586690.0000000             0.0000030        
  2 267081.0000000              0.0000090        
  3  60148.6000000              0.0000340        
  4  17023.4000000              0.0001210        
  5   5748.1500000              0.0004220        
  6   2219.3800000              0.0014320        
  7    947.0230000              0.0045390        
  8    434.7980000              0.0129400        
  9    210.4080000              0.0312870        
 10    105.6630000              0.0589230        
 11     54.4289000              0.0722720        
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 17      1.0946600              0.5397560        
 18      0.5241370              0.2966600        
 19      0.2041700              0.0408550        
 20      0.0842270             -0.0027560        
P   20
  1 1586690.0000000            -0.0000010        
  2 267081.0000000             -0.0000020        
  3  60148.6000000             -0.0000090        
  4  17023.4000000             -0.0000320        
  5   5748.1500000             -0.0001110        
  6   2219.3800000             -0.0003750        
  7    947.0230000             -0.0011920        
  8    434.7980000             -0.0033900        
  9    210.4080000             -0.0082320        
 10    105.6630000             -0.0154520        
 11     54.4289000             -0.0191290        
 12     28.5070000             -0.0003080        
 13     15.0732000              0.0406730        
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 17      1.0946600             -0.2104010        
 18      0.5241370             -0.0819680        
 19      0.2041700              0.3056700        
 20      0.0842270              0.5729850        
P   20
  1 1586690.0000000            -0.0000010        
  2 267081.0000000             -0.0000040        
  3  60148.6000000             -0.0000170        
  4  17023.4000000             -0.0000580        
  5   5748.1500000             -0.0002060        
  6   2219.3800000             -0.0006920        
  7    947.0230000             -0.0022160        
  8    434.7980000             -0.0062500        
  9    210.4080000             -0.0153280        
 10    105.6630000             -0.0284180        
 11     54.4289000             -0.0360050        
 12     28.5070000              0.0007390        
 13     15.0732000              0.0737870        
 14      7.9939600              0.1567930        
 15      4.2223900              0.0600870        
 16      2.2020000             -0.2175560        
 17      1.0946600             -0.4730350        
 18      0.5241370              0.1035350        
 19      0.2041700              0.7017780        
 20      0.0842270              0.3464260        
P   20
  1 1586690.0000000            -0.0000020        
  2 267081.0000000             -0.0000070        
  3  60148.6000000             -0.0000250        
  4  17023.4000000             -0.0000880        
  5   5748.1500000             -0.0003100        
  6   2219.3800000             -0.0010360        
  7    947.0230000             -0.0033490        
  8    434.7980000             -0.0093580        
  9    210.4080000             -0.0232300        
 10    105.6630000             -0.0424770        
 11     54.4289000             -0.0555120        
 12     28.5070000              0.0040330        
 13     15.0732000              0.1140780        
 14      7.9939600              0.2471390        
 15      4.2223900              0.1068440        
 16      2.2020000             -0.5122660        
 17      1.0946600             -0.8892670        
 18      0.5241370              1.4465490        
 19      0.2041700              0.2479960        
 20      0.0842270             -0.9632110        
P   1
  1      0.0337970              1.0000000        
D   13
  1   2792.9700000              0.0001480        
  2    802.4110000              0.0012730        
  3    296.3820000              0.0077100        
  4    127.7060000              0.0316940        
  5     60.1914000              0.0960960        
  6     29.8287000              0.2138980        
  7     15.1894000              0.3292350        
  8      7.8338600              0.3391930        
  9      4.0347000              0.1871580        
 10      2.0068000              0.0403970        
 11      0.9589780              0.0022420        
 12      0.4378690              0.0005540        
 13      0.1884020              0.0000850        
D   13
  1   2792.9700000             -0.0000440        
  2    802.4110000             -0.0003830        
  3    296.3820000             -0.0023210        
  4    127.7060000             -0.0096160        
  5     60.1914000             -0.0294330        
  6     29.8287000             -0.0662430        
  7     15.1894000             -0.0985040        
  8      7.8338600             -0.0913240        
  9      4.0347000              0.0328620        
 10      2.0068000              0.2523970        
 11      0.9589780              0.3790570        
 12      0.4378690              0.3402040        
 13      0.1884020              0.1979080        
D   13
  1   2792.9700000              0.0000450        
  2    802.4110000              0.0003860        
  3    296.3820000              0.0023570        
  4    127.7060000              0.0097350        
  5     60.1914000              0.0300490        
  6     29.8287000              0.0675750        
  7     15.1894000              0.0991900        
  8      7.8338600              0.0820690        
  9      4.0347000             -0.0522600        
 10      2.0068000             -0.3346050        
 11      0.9589780             -0.3769710        
 12      0.4378690              0.1428500        
 13      0.1884020              0.5594820        
D   13
  1   2792.9700000             -0.0000660        
  2    802.4110000             -0.0005640        
  3    296.3820000             -0.0034690        
  4    127.7060000             -0.0142960        
  5     60.1914000             -0.0446570        
  6     29.8287000             -0.1006180        
  7     15.1894000             -0.1407410        
  8      7.8338600             -0.0900030        
  9      4.0347000              0.1367850        
 10      2.0068000              0.6761930        
 11      0.9589780             -0.0619930        
 12      0.4378690             -0.9061800        
 13      0.1884020              0.1541380        
D   1
  1      0.0739060              1.0000000        
F   1
  1      1.7214000              1.0000000        
F   1
  1      0.5080000              1.0000000        
G   1
  1      1.1557000              1.0000000        


name: cc-pVTZ-DK
description: VTZ2P Douglas-Kroll Valence Triple Zeta + Polarization
elt: Pd
data:
PALLADIUM
S   25
  1 231969000.0000000           0.0000380        
  2 35874000.0000000            0.0001010        
  3 7478510.0000000             0.0002770        
  4 1959210.0000000             0.0006270        
  5 609102.0000000              0.0013270        
  6 214666.0000000              0.0026660        
  7  82772.4000000              0.0052950        
  8  34005.0000000              0.0105500        
  9  14607.5000000              0.0213990        
 10   6480.7700000              0.0438700        
 11   2948.3800000              0.0881890        
 12   1370.9700000              0.1612280        
 13    651.1640000              0.2336970        
 14    316.1400000              0.2112000        
 15    157.0170000              0.0981310        
 16     79.7486000              0.1177200        
 17     41.3024000              0.1899080        
 18     21.6692000              0.0967030        
 19     11.3839000              0.0244730        
 20      5.8823900              0.0181770        
 21      2.9146900              0.0045120        
 22      1.4182000             -0.0000340        
 23      0.6431560              0.0000380        
 24      0.1621260             -0.0000120        
 25      0.0757470              0.0000080        
S   25
  1 231969000.0000000          -0.0000310        
  2 35874000.0000000           -0.0000840        
  3 7478510.0000000            -0.0002290        
  4 1959210.0000000            -0.0005200        
  5 609102.0000000             -0.0011030        
  6 214666.0000000             -0.0022200        
  7  82772.4000000             -0.0044240        
  8  34005.0000000             -0.0088620        
  9  14607.5000000             -0.0181430        
 10   6480.7700000             -0.0377710        
 11   2948.3800000             -0.0782330        
 12   1370.9700000             -0.1515500        
 13    651.1640000             -0.2484170        
 14    316.1400000             -0.2821950        
 15    157.0170000             -0.1138920        
 16     79.7486000              0.2668050        
 17     41.3024000              0.4972710        
 18     21.6692000              0.2581180        
 19     11.3839000              0.0500270        
 20      5.8823900              0.0264220        
 21      2.9146900              0.0060790        
 22      1.4182000             -0.0000090        
 23      0.6431560              0.0000170        
 24      0.1621260             -0.0000070        
 25      0.0757470              0.0000040        
S   25
  1 231969000.0000000           0.0000070        
  2 35874000.0000000            0.0000190        
  3 7478510.0000000             0.0000510        
  4 1959210.0000000             0.0001150        
  5 609102.0000000              0.0002450        
  6 214666.0000000              0.0004940        
  7  82772.4000000              0.0009900        
  8  34005.0000000              0.0019940        
  9  14607.5000000              0.0041330        
 10   6480.7700000              0.0087440        
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 12   1370.9700000              0.0385280        
 13    651.1640000              0.0709410        
 14    316.1400000              0.0945880        
 15    157.0170000              0.0379940        
 16     79.7486000             -0.2101840        
 17     41.3024000             -0.5097240        
 18     21.6692000             -0.3292160        
 19     11.3839000              0.4337730        
 20      5.8823900              0.7551420        
 21      2.9146900              0.1893900        
 22      1.4182000              0.0046220        
 23      0.6431560              0.0031330        
 24      0.1621260             -0.0001840        
 25      0.0757470              0.0001700        
S   25
  1 231969000.0000000          -0.0000030        
  2 35874000.0000000           -0.0000080        
  3 7478510.0000000            -0.0000210        
  4 1959210.0000000            -0.0000470        
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  6 214666.0000000             -0.0002010        
  7  82772.4000000             -0.0004030        
  8  34005.0000000             -0.0008110        
  9  14607.5000000             -0.0016800        
 10   6480.7700000             -0.0035550        
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 14    316.1400000             -0.0383650        
 15    157.0170000             -0.0154230        
 16     79.7486000              0.0890860        
 17     41.3024000              0.2364510        
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 19     11.3839000             -0.2656280        
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 22      1.4182000              0.8341870        
 23      0.6431560              0.5096530        
 24      0.1621260              0.0323300        
 25      0.0757470             -0.0101750        
S   25
  1 231969000.0000000           0.0000010        
  2 35874000.0000000            0.0000020        
  3 7478510.0000000             0.0000050        
  4 1959210.0000000             0.0000120        
  5 609102.0000000              0.0000250        
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  7  82772.4000000              0.0001020        
  8  34005.0000000              0.0002060        
  9  14607.5000000              0.0004260        
 10   6480.7700000              0.0009030        
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 13    651.1640000              0.0072770        
 14    316.1400000              0.0097830        
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 16     79.7486000             -0.0228670        
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 18     21.6692000             -0.0417860        
 19     11.3839000              0.0719530        
 20      5.8823900              0.2314620        
 21      2.9146900              0.0153060        
 22      1.4182000             -0.3249280        
 23      0.6431560             -0.3116880        
 24      0.1621260              0.2542590        
 25      0.0757470              0.6130390        
S   25
  1 231969000.0000000           0.0000010        
  2 35874000.0000000            0.0000040        
  3 7478510.0000000             0.0000110        
  4 1959210.0000000             0.0000240        
  5 609102.0000000              0.0000510        
  6 214666.0000000              0.0001030        
  7  82772.4000000              0.0002090        
  8  34005.0000000              0.0004110        
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 10   6480.7700000              0.0017780        
 11   2948.3800000              0.0040400        
 12   1370.9700000              0.0076940        
 13    651.1640000              0.0156030        
 14    316.1400000              0.0176250        
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 16     79.7486000             -0.0591740        
 17     41.3024000             -0.0994380        
 18     21.6692000             -0.1403710        
 19     11.3839000              0.2582880        
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 22      1.4182000             -1.6365500        
 23      0.6431560              0.5083560        
 24      0.1621260              1.7709410        
 25      0.0757470             -0.8830610        
S   25
  1 231969000.0000000           0.0000020        
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  3 7478510.0000000             0.0000160        
  4 1959210.0000000             0.0000350        
  5 609102.0000000              0.0000750        
  6 214666.0000000              0.0001510        
  7  82772.4000000              0.0003030        
  8  34005.0000000              0.0006090        
  9  14607.5000000              0.0012660        
 10   6480.7700000              0.0026640        
 11   2948.3800000              0.0057520        
 12   1370.9700000              0.0117020        
 13    651.1640000              0.0217740        
 14    316.1400000              0.0286790        
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 16     79.7486000             -0.0711980        
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 19     11.3839000              0.2556980        
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 21      2.9146900              0.1081360        
 22      1.4182000             -3.2497450        
 23      0.6431560              3.3999180        
 24      0.1621260             -0.8439920        
 25      0.0757470             -1.3578290        
S   1
  1      0.0328330              1.0000000        
P   20
  1 1789180.0000000             0.0000160        
  2 299329.0000000              0.0000550        
  3  66902.0000000              0.0002010        
  4  18783.6000000              0.0007020        
  5   6293.7500000              0.0024310        
  6   2413.2000000              0.0081640        
  7   1023.6400000              0.0255500        
  8    467.7130000              0.0713070        
  9    225.4890000              0.1658860        
 10    112.9220000              0.2965360        
 11     58.0528000              0.3536860        
 12     30.3656000              0.2181360        
 13     16.0450000              0.0479290        
 14      8.5088900             -0.0047840        
 15      4.4978300             -0.0047910        
 16      2.3502500             -0.0006970        
 17      1.1661100              0.0000100        
 18      0.5548970              0.0000700        
 19      0.2085100             -0.0000020        
 20      0.0843150              0.0000030        
P   20
  1 1789180.0000000            -0.0000070        
  2 299329.0000000             -0.0000240        
  3  66902.0000000             -0.0000870        
  4  18783.6000000             -0.0003030        
  5   6293.7500000             -0.0010540        
  6   2413.2000000             -0.0035630        
  7   1023.6400000             -0.0112890        
  8    467.7130000             -0.0322750        
  9    225.4890000             -0.0781140        
 10    112.9220000             -0.1474240        
 11     58.0528000             -0.1817680        
 12     30.3656000             -0.0333360        
 13     16.0450000              0.2940170        
 14      8.5088900              0.5046260        
 15      4.4978300              0.2878520        
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 17      1.1661100              0.0001300        
 18      0.5548970             -0.0019180        
 19      0.2085100              0.0000030        
 20      0.0843150             -0.0000710        
P   20
  1 1789180.0000000             0.0000030        
  2 299329.0000000              0.0000090        
  3  66902.0000000              0.0000340        
  4  18783.6000000              0.0001200        
  5   6293.7500000              0.0004190        
  6   2413.2000000              0.0014180        
  7   1023.6400000              0.0045040        
  8    467.7130000              0.0129120        
  9    225.4890000              0.0314570        
 10    112.9220000              0.0598250        
 11     58.0528000              0.0743730        
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 13     16.0450000             -0.1540920        
 14      8.5088900             -0.3005170        
 15      4.4978300             -0.1366150        
 16      2.3502500              0.3543360        
 17      1.1661100              0.5418340        
 18      0.5548970              0.2883550        
 19      0.2085100              0.0365610        
 20      0.0843150             -0.0031140        
P   20
  1 1789180.0000000            -0.0000010        
  2 299329.0000000             -0.0000020        
  3  66902.0000000             -0.0000080        
  4  18783.6000000             -0.0000290        
  5   6293.7500000             -0.0001010        
  6   2413.2000000             -0.0003430        
  7   1023.6400000             -0.0010910        
  8    467.7130000             -0.0031190        
  9    225.4890000             -0.0076350        
 10    112.9220000             -0.0144670        
 11     58.0528000             -0.0181630        
 12     30.3656000             -0.0007540        
 13     16.0450000              0.0381890        
 14      8.5088900              0.0778260        
 15      4.4978300              0.0306690        
 16      2.3502500             -0.1073350        
 17      1.1661100             -0.1913910        
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D   13
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D   1
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F   1
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F   1
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G   1
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name: cc-pVTZ-DK
description: N/A
elt: Y
data:
YTTRIUM
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D   13
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D   1
  1      0.0303380              1.0000000        
F   1
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F   1
  1      0.1232000              1.0000000        
G   1
  1      0.2762000              1.0000000        


