# all_value

name: aug-cc-pVQZ-PP
description: VQZPD Valence Quadruple Zeta + Polarization on All Atoms
elt: Pb
data:
LEAD
S   10
  1   9368.3300000              0.0000140        
  2   1366.9300000              0.0001030        
  3    299.6820000              0.0003790        
  4     34.8597000              0.0232740        
  5     21.7889000             -0.2034360        
  6     13.6200000              0.6992140        
  7      8.5129500             -0.6068410        
  8      5.3033200             -0.6113920        
  9      1.9281600              0.7652270        
 10      1.0360100              0.6198080        
S   10
  1   9368.3300000              0.0000060        
  2   1366.9300000              0.0000440        
  3    299.6820000              0.0001800        
  4     34.8597000              0.0087420        
  5     21.7889000             -0.0809920        
  6     13.6200000              0.2979620        
  7      8.5129500             -0.2957430        
  8      5.3033200             -0.2414090        
  9      1.9281600              0.4388870        
 10      1.0360100              0.4846770        
S   1
  1      0.5012700              1.0000000        
S   1
  1      0.2625190              1.0000000        
S   1
  1      0.1221610              1.0000000        
S   1
  1      0.0550880              1.0000000        
S   1
  1      0.0216000              1.0000000        
P   7
  1     59.0901000              0.0007160        
  2     20.9197000             -0.0210820        
  3     13.0777000              0.1270610        
  4      6.8991000             -0.3722840        
  5      2.1962700              0.4356630        
  6      1.3048600              0.4357350        
  7      0.7795720              0.2609470        
P   7
  1     59.0901000             -0.0000890        
  2     20.9197000              0.0043570        
  3     13.0777000             -0.0328070        
  4      6.8991000              0.1082010        
  5      2.1962700             -0.1645190        
  6      1.3048600             -0.1344040        
  7      0.7795720             -0.1395560        
P   1
  1      0.4244770              1.0000000        
P   1
  1      0.1807330              1.0000000        
P   1
  1      0.0797370              1.0000000        
P   1
  1      0.0346490              1.0000000        
P   1
  1      0.0137000              1.0000000        
D   8
  1    174.5020000              0.0000430        
  2     51.6379000              0.0003300        
  3     12.8135000              0.0107550        
  4      6.6654000             -0.0750940        
  5      2.5892700              0.1806780        
  6      1.5614100              0.3056960        
  7      0.9312330              0.3147490        
  8      0.5485470              0.2316090        
D   1
  1      0.3182980              1.0000000        
D   1
  1      0.1802510              1.0000000        
D   1
  1      0.0832000              1.0000000        
D   1
  1      0.0339000              1.0000000        
F   1
  1      0.4413000              1.0000000        
F   1
  1      0.1782000              1.0000000        
F   1
  1      0.0723000              1.0000000        
G   1
  1      0.3881000              1.0000000        
G   1
  1      0.1746000              1.0000000


name: aug-cc-pVQZ-PP
description: VQZPD Valence Quadruple Zeta + Polarization on All Atoms
elt: Bi
data:
BISMUTH
S   10
  1   8131.0900000              0.0000290        
  2   1225.7700000              0.0002000        
  3    274.6720000              0.0006840        
  4     37.6164000              0.0202180        
  5     23.4804000             -0.1593260        
  6     14.1065000              0.6117260        
  7      8.8130500             -0.5446530        
  8      5.5077800             -0.6368840        
  9      2.0397700              0.7716980        
 10      1.0944000              0.6383670        
S   10
  1   8131.0900000              0.0000140        
  2   1225.7700000              0.0000950        
  3    274.6720000              0.0003450        
  4     37.6164000              0.0082520        
  5     23.4804000             -0.0679190        
  6     14.1065000              0.2810650        
  7      8.8130500             -0.2932820        
  8      5.5077800             -0.2634510        
  9      2.0397700              0.4777720        
 10      1.0944000              0.5285660        
S   1
  1      0.4915260              1.0000000        
S   1
  1      0.2899030              1.0000000        
S   1
  1      0.1381930              1.0000000        
S   1
  1      0.0635850              1.0000000        
S   1
  1      0.0253000              1.0000000        
P   7
  1     99.5914000              0.0003460        
  2     19.8964000             -0.0199760        
  3     12.4376000              0.1754460        
  4      7.7740000             -0.3795560        
  5      4.8399500             -0.0552620        
  6      2.2547800              0.5288840        
  7      1.1804900              0.5213240        
P   7
  1     99.5914000             -0.0001090        
  2     19.8964000              0.0060230        
  3     12.4376000             -0.0575250        
  4      7.7740000              0.1354320        
  5      4.8399500              0.0022100        
  6      2.2547800             -0.1991240        
  7      1.1804900             -0.2363190        
P   1
  1      0.5942240              1.0000000        
P   1
  1      0.2579700              1.0000000        
P   1
  1      0.1128680              1.0000000        
P   1
  1      0.0478850              1.0000000        
P   1
  1      0.0183000              1.0000000        
D   8
  1    176.9370000              0.0000560        
  2     52.4668000              0.0004280        
  3     13.7831000              0.0100960        
  4      6.8512100             -0.0784360        
  5      4.1778700              0.0128150        
  6      2.6091900              0.2088140        
  7      1.5516600              0.3416310        
  8      0.8899020              0.3401010        
D   1
  1      0.4852990              1.0000000        
D   1
  1      0.2468940              1.0000000        
D   1
  1      0.1044000              1.0000000        
D   1
  1      0.0398000              1.0000000        
F   1
  1      0.4803000              1.0000000        
F   1
  1      0.2006000              1.0000000        
F   1
  1      0.0811000              1.0000000        
G   1
  1      0.4203000              1.0000000        
G   1
  1      0.1800000              1.0000000


name: aug-cc-pVQZ-PP
description: VQZPD Valence Quadruple Zeta + Polarization on All Atoms
elt: Po
data:
POLONIUM
S   10
  1   8913.2900000              0.0000470        
  2   1338.9800000              0.0003310        
  3    299.5380000              0.0011610        
  4     51.1489000              0.0078990        
  5     23.0156000             -0.1493470        
  6     14.3765000              0.6382420        
  7      8.9827900             -0.6170830        
  8      5.6129200             -0.6051970        
  9      2.1648400              0.7760860        
 10      1.1753800              0.6473360        
S   10
  1   8913.2900000              0.0000250        
  2   1338.9800000              0.0001710        
  3    299.5380000              0.0006350        
  4     51.1489000              0.0034610        
  5     23.0156000             -0.0670340        
  6     14.3765000              0.3079570        
  7      8.9827900             -0.3475240        
  8      5.6129200             -0.2562510        
  9      2.1648400              0.5038280        
 10      1.1753800              0.5738940        
S   1
  1      0.5448700              1.0000000        
S   1
  1      0.3132160              1.0000000        
S   1
  1      0.1516620              1.0000000        
S   1
  1      0.0699970              1.0000000        
S   1
  1      0.0274000              1.0000000        
P   7
  1    113.5570000              0.0003870        
  2     20.3639000             -0.0182550        
  3     12.7274000              0.1747760        
  4      7.9498400             -0.3987030        
  5      4.9647700             -0.0318120        
  6      2.3013000              0.5660470        
  7      1.1954500              0.5102220        
P   7
  1    113.5570000             -0.0001330        
  2     20.3639000              0.0056800        
  3     12.7274000             -0.0611670        
  4      7.9498400              0.1532440        
  5      4.9647700             -0.0074000        
  6      2.3013000             -0.2348380        
  7      1.1954500             -0.2548390        
P   1
  1      0.5928970              1.0000000        
P   1
  1      0.2732770              1.0000000        
P   1
  1      0.1204340              1.0000000        
P   1
  1      0.0512190              1.0000000        
P   1
  1      0.0203000              1.0000000        
D   8
  1    183.4470000              0.0000720        
  2     54.1133000              0.0005560        
  3     14.9758000              0.0092080        
  4      6.9236000             -0.0828180        
  5      3.7985900              0.0647560        
  6      2.3040400              0.3002410        
  7      1.3055400              0.3884360        
  8      0.7270960              0.2808920        
D   1
  1      0.4032940              1.0000000        
D   1
  1      0.2306510              1.0000000        
D   1
  1      0.1093000              1.0000000        
D   1
  1      0.0487000              1.0000000        
F   1
  1      0.4894000              1.0000000        
F   1
  1      0.2002000              1.0000000        
F   1
  1      0.0887000              1.0000000        
G   1
  1      0.4074000              1.0000000        
G   1
  1      0.1943000              1.0000000


name: aug-cc-pVQZ-PP
description: VQZPD Valence Quadruple Zeta + Polarization on All Atoms
elt: At
data:
ASTATINE
S   10
  1   9090.2800000              0.0000350        
  2   1373.0700000              0.0002420        
  3    307.9500000              0.0008150        
  4     48.0176000              0.0084650        
  5     23.9099000             -0.1473330        
  6     14.9334000              0.6324150        
  7      9.3317100             -0.6164060        
  8      5.8320600             -0.6192580        
  9      2.2878700              0.7851240        
 10      1.2498300              0.6561210        
S   10
  1   9090.2800000              0.0000190        
  2   1373.0700000              0.0001270        
  3    307.9500000              0.0004560        
  4     48.0176000              0.0036750        
  5     23.9099000             -0.0682060        
  6     14.9334000              0.3173990        
  7      9.3317100             -0.3637490        
  8      5.8320600             -0.2725370        
  9      2.2878700              0.5344320        
 10      1.2498300              0.6128990        
S   1
  1      0.5753680              1.0000000        
S   1
  1      0.3314590              1.0000000        
S   1
  1      0.1633670              1.0000000        
S   1
  1      0.0762100              1.0000000        
S   1
  1      0.0297000              1.0000000        
P   7
  1    124.6020000              0.0004680        
  2     20.8899000             -0.0161240        
  3     13.0585000              0.1711960        
  4      8.1606100             -0.4088750        
  5      5.0980800             -0.0164070        
  6      2.3787600              0.5881720        
  7      1.2375500              0.5009970        
P   7
  1    124.6020000             -0.0001750        
  2     20.8899000              0.0050450        
  3     13.0585000             -0.0633590        
  4      8.1606100              0.1679510        
  5      5.0980800             -0.0150700        
  6      2.3787600             -0.2661650        
  7      1.2375500             -0.2690180        
P   1
  1      0.6083250              1.0000000        
P   1
  1      0.2897820              1.0000000        
P   1
  1      0.1300040              1.0000000        
P   1
  1      0.0560960              1.0000000        
P   1
  1      0.0229000              1.0000000        
D   8
  1    183.9130000              0.0000970        
  2     54.5133000              0.0007290        
  3     15.7516000              0.0094680        
  4      7.0243700             -0.0900910        
  5      4.3867400              0.0564460        
  6      2.5615800              0.2838740        
  7      1.5088200              0.3664450        
  8      0.8921510              0.2844520        
D   1
  1      0.5181700              1.0000000        
D   1
  1      0.2837320              1.0000000        
D   1
  1      0.1270000              1.0000000        
D   1
  1      0.0542000              1.0000000        
F   1
  1      0.5389000              1.0000000        
F   1
  1      0.2287000              1.0000000        
F   1
  1      0.1210000              1.0000000        
G   1
  1      0.4363000              1.0000000        
G   1
  1      0.2217000              1.0000000


name: aug-cc-pVQZ-PP
description: VQZPD Valence Quadruple Zeta + Polarization on All Atoms
elt: Rn
data:
RADON
S   10
  1  12715.6000000              0.0000470        
  2   1913.3000000              0.0003380        
  3    429.9560000              0.0012800        
  4    100.9780000              0.0027820        
  5     24.4708000             -0.1004210        
  6     15.2922000              0.5398240        
  7      9.5548300             -0.5738560        
  8      5.9666100             -0.6100000        
  9      2.3893900              0.7932530        
 10      1.3188000              0.6515970        
S   10
  1  12715.6000000              0.0000280        
  2   1913.3000000              0.0001950        
  3    429.9560000              0.0007690        
  4    100.9780000              0.0014970        
  5     24.4708000             -0.0495930        
  6     15.2922000              0.2895580        
  7      9.5548300             -0.3680370        
  8      5.9666100             -0.2733570        
  9      2.3893900              0.5778810        
 10      1.3188000              0.6296850        
S   1
  1      0.6257230              1.0000000        
S   1
  1      0.3569110              1.0000000        
S   1
  1      0.1775300              1.0000000        
S   1
  1      0.0834340              1.0000000        
S   1
  1      0.0320000              1.0000000        
P   7
  1    131.7080000              0.0005850        
  2     21.4016000             -0.0144380        
  3     13.3826000              0.1700950        
  4      8.3688000             -0.4225040        
  5      5.2294500             -0.0017190        
  6      2.4768500              0.6011580        
  7      1.3018000              0.4927800        
P   7
  1    131.7080000             -0.0002340        
  2     21.4016000              0.0043660        
  3     13.3826000             -0.0653500        
  4      8.3688000              0.1823270        
  5      5.2294500             -0.0236720        
  6      2.4768500             -0.2899450        
  7      1.3018000             -0.2800620        
P   1
  1      0.6457100              1.0000000        
P   1
  1      0.3128970              1.0000000        
P   1
  1      0.1428530              1.0000000        
P   1
  1      0.0625560              1.0000000        
P   1
  1      0.0255000              1.0000000        
D   8
  1    183.7300000              0.0001290        
  2     54.6897000              0.0009490        
  3     16.4255000              0.0101000        
  4      7.3050000             -0.0873090        
  5      4.2747700              0.0714520        
  6      2.6114200              0.2953780        
  7      1.5667400              0.3587310        
  8      0.9609790              0.2561200        
D   1
  1      0.5965350              1.0000000        
D   1
  1      0.3420280              1.0000000        
D   1
  1      0.1516000              1.0000000        
D   1
  1      0.0597000              1.0000000        
F   1
  1      0.5940000              1.0000000        
F   1
  1      0.2684000              1.0000000        
F   1
  1      0.1533000              1.0000000        
G   1
  1      0.4763000              1.0000000        
G   1
  1      0.2491000              1.0000000


name: aug-cc-pVQZ-PP_OPTRI
description: CABS RI basis sets for F12 matched to aug-cc-pVQZ-PP orbital basis sets
elt: Cu
data:
COPPER
S   1
  1     15.6595600              1.0000000        
S   1
  1      9.0291410              1.0000000        
S   1
  1      5.0913000              1.0000000        
S   1
  1      3.1910000              1.0000000        
S   1
  1      2.1261290              1.0000000        
S   1
  1      0.3964990              1.0000000        
P   1
  1     41.8837300              1.0000000        
P   1
  1      9.8980000              1.0000000        
P   1
  1      6.6068050              1.0000000        
P   1
  1      3.0653000              1.0000000        
P   1
  1      1.2153290              1.0000000        
P   1
  1      0.2679380              1.0000000        
D   1
  1     18.9013800              1.0000000        
D   1
  1     10.6793200              1.0000000        
D   1
  1      7.1185000              1.0000000        
D   1
  1      4.4632000              1.0000000        
D   1
  1      2.9743060              1.0000000        
D   1
  1      1.2590120              1.0000000        
F   1
  1     27.8116000              1.0000000        
F   1
  1     18.4704100              1.0000000        
F   1
  1     12.3271100              1.0000000        
F   1
  1      4.8885390              1.0000000        
F   1
  1      1.6242840              1.0000000        
G   1
  1     15.7749000              1.0000000        
G   1
  1      3.9909970              1.0000000        
G   1
  1      2.6671990              1.0000000        
G   1
  1      1.0572970              1.0000000        
H   1
  1     19.6012100              1.0000000        
H   1
  1      8.9337000              1.0000000        
H   1
  1      5.6486840              1.0000000        
H   1
  1      2.3828290              1.0000000        
H   1
  1      0.6995660              1.0000000        
I   1
  1      8.9191270              1.0000000        
I   1
  1      2.6819400              1.0000000


name: aug-cc-pVQZ-PP_OPTRI
description: CABS RI basis sets for F12 matched to aug-cc-pVQZ-PP orbital basis sets
elt: Zn
data:
ZINC
S   1
  1     16.8065200              1.0000000        
S   1
  1     11.1957900              1.0000000        
S   1
  1      5.8361000              1.0000000        
S   1
  1      3.6596000              1.0000000        
S   1
  1      2.4418920              1.0000000        
S   1
  1      0.4142890              1.0000000        
P   1
  1     56.3141100              1.0000000        
P   1
  1     10.6413000              1.0000000        
P   1
  1      6.0447650              1.0000000        
P   1
  1      3.2895000              1.0000000        
P   1
  1      2.1993610              1.0000000        
P   1
  1      1.2674230              1.0000000        
D   1
  1     29.6768500              1.0000000        
D   1
  1     17.1091700              1.0000000        
D   1
  1      8.1403000              1.0000000        
D   1
  1      5.1080000              1.0000000        
D   1
  1      3.4171910              1.0000000        
D   1
  1      0.9482340              1.0000000        
F   1
  1     48.5372800              1.0000000        
F   1
  1     19.9968100              1.0000000        
F   1
  1     13.3325800              1.0000000        
F   1
  1      4.5934600              1.0000000        
F   1
  1      1.8439040              1.0000000        
G   1
  1     17.8416400              1.0000000        
G   1
  1      4.6777460              1.0000000        
G   1
  1      3.1230850              1.0000000        
G   1
  1      1.2665070              1.0000000        
H   1
  1     23.0574700              1.0000000        
H   1
  1     10.0727000              1.0000000        
H   1
  1      6.6880800              1.0000000        
H   1
  1      2.8620040              1.0000000        
H   1
  1      0.8483190              1.0000000        
I   1
  1     10.3533400              1.0000000        
I   1
  1      3.2450240              1.0000000


name: aug-cc-pVQZ-PP_OPTRI
description: CABS RI basis sets for F12 matched to aug-cc-pVQZ-PP orbital basis sets
elt: Ag
data:
SILVER
S   1
  1     11.0054300              1.0000000        
S   1
  1      7.4115940              1.0000000        
S   1
  1      4.9794570              1.0000000        
S   1
  1      2.5613000              1.0000000        
S   1
  1      1.6037000              1.0000000        
S   1
  1      0.4101510              1.0000000        
P   1
  1     10.7080500              1.0000000        
P   1
  1      7.1624980              1.0000000        
P   1
  1      4.8084870              1.0000000        
P   1
  1      3.2389000              1.0000000        
P   1
  1      2.0247000              1.0000000        
P   1
  1      0.6504720              1.0000000        
D   1
  1     16.2182400              1.0000000        
D   1
  1      5.0880000              1.0000000        
D   1
  1      3.0903320              1.0000000        
D   1
  1      2.0554000              1.0000000        
D   1
  1      1.3316460              1.0000000        
D   1
  1      0.3555740              1.0000000        
F   1
  1     22.6069800              1.0000000        
F   1
  1     12.9812300              1.0000000        
F   1
  1      6.7038800              1.0000000        
F   1
  1      2.2155440              1.0000000        
F   1
  1      0.9524170              1.0000000        
G   1
  1      7.1174360              1.0000000        
G   1
  1      3.8663510              1.0000000        
G   1
  1      1.3584500              1.0000000        
G   1
  1      0.5992050              1.0000000        
H   1
  1      8.3329700              1.0000000        
H   1
  1      5.5578820              1.0000000        
H   1
  1      3.6986000              1.0000000        
H   1
  1      1.1962280              1.0000000        
H   1
  1      0.5339390              1.0000000        
I   1
  1      3.2121970              1.0000000        
I   1
  1      1.3016100              1.0000000


name: aug-cc-pVQZ-PP_OPTRI
description: CABS RI basis sets for F12 matched to aug-cc-pVQZ-PP orbital basis sets
elt: Cd
data:
CADMIUM
S   1
  1     12.6050800              1.0000000        
S   1
  1      8.4676120              1.0000000        
S   1
  1      5.6822680              1.0000000        
S   1
  1      2.8823000              1.0000000        
S   1
  1      1.8033000              1.0000000        
S   1
  1      0.3040750              1.0000000        
P   1
  1     18.3278800              1.0000000        
P   1
  1      8.8919730              1.0000000        
P   1
  1      5.8173450              1.0000000        
P   1
  1      3.6161000              1.0000000        
P   1
  1      2.0791000              1.0000000        
P   1
  1      1.1196930              1.0000000        
D   1
  1     13.5394200              1.0000000        
D   1
  1      5.5840000              1.0000000        
D   1
  1      3.6535200              1.0000000        
D   1
  1      2.2520000              1.0000000        
D   1
  1      1.5143640              1.0000000        
D   1
  1      0.4010730              1.0000000        
F   1
  1     20.9701200              1.0000000        
F   1
  1     11.8514400              1.0000000        
F   1
  1      7.6766720              1.0000000        
F   1
  1      2.5664290              1.0000000        
F   1
  1      1.0831620              1.0000000        
G   1
  1      7.8161510              1.0000000        
G   1
  1      5.1514110              1.0000000        
G   1
  1      1.6173920              1.0000000        
G   1
  1      0.6957910              1.0000000        
H   1
  1      9.1403530              1.0000000        
H   1
  1      6.1085640              1.0000000        
H   1
  1      4.0892000              1.0000000        
H   1
  1      1.3753010              1.0000000        
H   1
  1      0.5821830              1.0000000        
I   1
  1      3.6194630              1.0000000        
I   1
  1      1.5070410              1.0000000


name: aug-cc-pVQZ-PP_OPTRI
description: CABS RI basis sets for F12 matched to aug-cc-pVQZ-PP orbital basis sets
elt: Au
data:
GOLD
S   1
  1     16.3402600              1.0000000        
S   1
  1     10.8820000              1.0000000        
S   1
  1      5.3692000              1.0000000        
S   1
  1      3.0956420              1.0000000        
S   1
  1      1.2340000              1.0000000        
S   1
  1      0.7723000              1.0000000        
P   1
  1     11.6028000              1.0000000        
P   1
  1      7.7695160              1.0000000        
P   1
  1      5.2034440              1.0000000        
P   1
  1      2.6937000              1.0000000        
P   1
  1      1.6857000              1.0000000        
P   1
  1      0.9291700              1.0000000        
D   1
  1     11.5163400              1.0000000        
D   1
  1      7.6826050              1.0000000        
D   1
  1      3.7149000              1.0000000        
D   1
  1      1.6920000              1.0000000        
D   1
  1      0.9327300              1.0000000        
D   1
  1      0.2809840              1.0000000        
F   1
  1      8.6115300              1.0000000        
F   1
  1      4.6247140              1.0000000        
F   1
  1      3.0827390              1.0000000        
F   1
  1      1.1941890              1.0000000        
F   1
  1      0.5292290              1.0000000        
G   1
  1      5.5105260              1.0000000        
G   1
  1      3.4396810              1.0000000        
G   1
  1      1.2656440              1.0000000        
G   1
  1      0.4675960              1.0000000        
H   1
  1      7.9748850              1.0000000        
H   1
  1      4.2035190              1.0000000        
H   1
  1      2.7477000              1.0000000        
H   1
  1      0.8616370              1.0000000        
H   1
  1      0.3839650              1.0000000        
I   1
  1      3.0514970              1.0000000        
I   1
  1      1.1871650              1.0000000


name: aug-cc-pVQZ-PP_OPTRI
description: CABS RI basis sets for F12 matched to aug-cc-pVQZ-PP orbital basis sets
elt: Hg
data:
MERCURY
S   1
  1     14.4225100              1.0000000        
S   1
  1      9.6245240              1.0000000        
S   1
  1      5.3065590              1.0000000        
S   1
  1      2.9361840              1.0000000        
S   1
  1      1.3570000              1.0000000        
S   1
  1      0.8492000              1.0000000        
P   1
  1     12.2879900              1.0000000        
P   1
  1      8.2223340              1.0000000        
P   1
  1      5.5047090              1.0000000        
P   1
  1      2.8456000              1.0000000        
P   1
  1      1.7807000              1.0000000        
P   1
  1      0.9899050              1.0000000        
D   1
  1     11.8386960              1.0000000        
D   1
  1      7.9081460              1.0000000        
D   1
  1      3.9770000              1.0000000        
D   1
  1      1.8985000              1.0000000        
D   1
  1      1.0832480              1.0000000        
D   1
  1      0.3072470              1.0000000        
F   1
  1     10.1986000              1.0000000        
F   1
  1      6.8057890              1.0000000        
F   1
  1      4.5502440              1.0000000        
F   1
  1      3.0540650              1.0000000        
F   1
  1      0.5899570              1.0000000        
G   1
  1      5.8618090              1.0000000        
G   1
  1      3.2618560              1.0000000        
G   1
  1      1.4024810              1.0000000        
G   1
  1      0.5324530              1.0000000        
H   1
  1      7.3101260              1.0000000        
H   1
  1      4.8405280              1.0000000        
H   1
  1      2.9400000              1.0000000        
H   1
  1      0.9545390              1.0000000        
H   1
  1      0.4272870              1.0000000        
I   1
  1      3.3166650              1.0000000        
I   1
  1      1.3286570              1.0000000


name: aug-cc-pVQZ-RI diffuse
description: N/A
elt: H
data:
HYDROGEN
S   1
  1      0.99710780880E-01            1.0000000        
P   1
  1      0.94444585167E-01            1.0000000        
D   1
  1      0.30650358869          1.0000000        
F   1
  1      0.44795390000          1.0000000        
G   1
  1      0.59562780346          1.0000000


name: aug-cc-pVQZ-RI diffuse
description: N/A
elt: He
data:
HELIUM
S   1
  1      0.19724856721          1.0000000        
P   1
  1      0.34379380795          1.0000000        
D   1
  1      0.64223309212          1.0000000        
F   1
  1      1.0504747245           1.0000000


name: aug-cc-pVQZ-RI diffuse
description: N/A
elt: B
data:
BORON
S   1
  1      0.51789335392E-01            1.0000000        
P   1
  1      0.58922032879E-01            1.0000000        
D   1
  1      0.86437718884E-01            1.0000000        
F   1
  1      0.75619629641E-01            1.0000000        
G   1
  1      0.20431353873          1.0000000        
H   1
  1      0.42845246936          1.0000000


name: aug-cc-pVQZ-RI diffuse
description: N/A
elt: C
data:
CARBON
S   1
  1      0.91582248080E-01            1.0000000        
P   1
  1      0.10457210217          1.0000000        
D   1
  1      0.14052014554          1.0000000        
F   1
  1      0.15883684421          1.0000000        
G   1
  1      0.32435913973          1.0000000        
H   1
  1      0.65934829301          1.0000000


name: aug-cc-pVQZ-RI diffuse
description: N/A
elt: N
data:
NITROGEN
S   1
  1      0.89848936374E-01            1.0000000        
P   1
  1      0.11449794090          1.0000000        
D   1
  1      0.15762013479          1.0000000        
F   1
  1      0.16353389200          1.0000000        
G   1
  1      0.42656181902          1.0000000        
H   1
  1      0.78532726327          1.0000000


name: aug-cc-pVQZ-RI diffuse
description: N/A
elt: O
data:
OXYGEN
S   1
  1      0.95281907341E-01            1.0000000        
P   1
  1      0.18989077313          1.0000000        
D   1
  1      0.13954687713          1.0000000        
F   1
  1      0.28801462388          1.0000000        
G   1
  1      0.53719929557          1.0000000        
H   1
  1      1.0512431837           1.0000000


name: aug-cc-pVQZ-RI diffuse
description: N/A
elt: F
data:
FLUORINE
S   1
  1      0.12498303738          1.0000000        
P   1
  1      0.25173678581          1.0000000        
D   1
  1      0.18946697252          1.0000000        
F   1
  1      0.40090866618          1.0000000        
G   1
  1      0.76588330370          1.0000000        
H   1
  1      1.3684048531           1.0000000


name: aug-cc-pVQZ-RI diffuse
description: N/A
elt: Ne
data:
NEON
S   1
  1      0.22214384769          1.0000000        
P   1
  1      0.33322690090          1.0000000        
D   1
  1      0.14066050145          1.0000000        
F   1
  1      0.51153237356          1.0000000        
G   1
  1      1.1078697479           1.0000000        
H   1
  1      1.9158769568           1.0000000


name: aug-cc-pVQZ-RI diffuse
description: N/A
elt: Al
data:
ALUMINUM
S   1
  1      0.50402562621E-01            1.0000000        
P   1
  1      0.57260901927E-01            1.0000000        
D   1
  1      0.67857277719E-01            1.0000000        
F   1
  1      0.72278385730E-01            1.0000000        
G   1
  1      0.95874073730E-01            1.0000000        
H   1
  1      0.21239023993          1.0000000


name: aug-cc-pVQZ-RI diffuse
description: N/A
elt: Si
data:
SILICON
S   1
  1      0.16677550295E-01            1.0000000        
P   1
  1      0.59070317986E-01            1.0000000        
D   1
  1      0.73689775491E-01            1.0000000        
F   1
  1      0.81438465235E-01            1.0000000        
G   1
  1      0.15257444636          1.0000000        
H   1
  1      0.32191215847          1.0000000


name: aug-cc-pVQZ-RI diffuse
description: N/A
elt: P
data:
PHOSPHORUS
S   1
  1      0.42294735379E-01            1.0000000        
P   1
  1      0.76865401233E-01            1.0000000        
D   1
  1      0.73662273208E-01            1.0000000        
F   1
  1      0.10463534348          1.0000000        
G   1
  1      0.19049975552          1.0000000        
H   1
  1      0.37232681641          1.0000000


name: aug-cc-pVQZ-RI diffuse
description: N/A
elt: S
data:
SULFUR
S   1
  1      0.67460366397E-01            1.0000000        
P   1
  1      0.10311650574          1.0000000        
D   1
  1      0.94135084627E-01            1.0000000        
F   1
  1      0.14009368577          1.0000000        
G   1
  1      0.24870171738          1.0000000        
H   1
  1      0.44918798276          1.0000000


name: aug-cc-pVQZ-RI diffuse
description: N/A
elt: Cl
data:
CHLORINE
S   1
  1      0.81858283108E-01            1.0000000        
P   1
  1      0.13405622026          1.0000000        
D   1
  1      0.10462641692          1.0000000        
F   1
  1      0.18900391211          1.0000000        
G   1
  1      0.36371026234          1.0000000        
H   1
  1      0.57063298029          1.0000000


name: aug-cc-pVQZ-RI diffuse
description: N/A
elt: Ar
data:
ARGON
S   1
  1      0.11597518000          1.0000000        
P   1
  1      0.19376296981          1.0000000        
D   1
  1      0.13487226000          1.0000000        
F   1
  1      0.24389226540          1.0000000        
G   1
  1      0.50855917562          1.0000000        
H   1
  1      0.73471423724          1.0000000


name: aug-cc-pVQZ-RI diffuse
description: N/A
elt: Ga
data:
GALLIUM
S   1
  1      0.30349050000E-01            1.0000000        
P   1
  1      0.41328620000E-01            1.0000000        
D   1
  1      0.42976045653E-01            1.0000000        
F   1
  1      0.47489477257E-01            1.0000000        
G   1
  1      0.83348745310E-01            1.0000000        
H   1
  1      0.70816406279E-01            1.0000000


name: aug-cc-pVQZ-RI diffuse
description: N/A
elt: Ge
data:
GERMANIUM
S   1
  1      0.39051930000E-01            1.0000000        
P   1
  1      0.40680380000E-01            1.0000000        
D   1
  1      0.64961550000E-01            1.0000000        
F   1
  1      0.82350275140E-01            1.0000000        
G   1
  1      0.15175023255          1.0000000        
H   1
  1      0.27419658873          1.0000000


name: aug-cc-pVQZ-RI diffuse
description: N/A
elt: As
data:
ARSENIC
S   1
  1      0.28342900000E-01            1.0000000        
P   1
  1      0.56481470000E-01            1.0000000        
D   1
  1      0.59685199442E-01            1.0000000        
F   1
  1      0.10374817023          1.0000000        
G   1
  1      0.19251155462          1.0000000        
H   1
  1      0.32773656075          1.0000000


name: aug-cc-pVQZ-RI diffuse
description: N/A
elt: Se
data:
SELENIUM
S   1
  1      0.41028321606E-01            1.0000000        
P   1
  1      0.52101660000E-01            1.0000000        
D   1
  1      0.67418512741E-01            1.0000000        
F   1
  1      0.12311837139          1.0000000        
G   1
  1      0.21693252303          1.0000000        
H   1
  1      0.38793776852          1.0000000


name: aug-cc-pVQZ-RI diffuse
description: N/A
elt: Br
data:
BROMINE
S   1
  1      0.32612259295E-01            1.0000000        
P   1
  1      0.33704380000E-01            1.0000000        
D   1
  1      0.99840669466E-01            1.0000000        
F   1
  1      0.16472958631          1.0000000        
G   1
  1      0.29608524930          1.0000000        
H   1
  1      0.47057730542          1.0000000


name: aug-cc-pVQZ-RI diffuse
description: N/A
elt: Kr
data:
KRYPTON
S   1
  1      0.54271056630E-01            1.0000000        
P   1
  1      0.35605265781E-01            1.0000000        
D   1
  1      0.81651440000E-01            1.0000000        
F   1
  1      0.20678146413          1.0000000        
G   1
  1      0.38417224854          1.0000000        
H   1
  1      0.56139274627          1.0000000        
$


name: aug-cc-pVQZ_OPTRI
description: CABS RI basis sets for F12 matched to aug-cc-pVnZ orbital basis sets
elt: H
data:
HYDROGEN
S   1
  1      7.7444780              1.0000000        
S   1
  1      2.1714680              1.0000000        
S   1
  1      0.4626660              1.0000000        
S   1
  1      0.1722020              1.0000000        
P   1
  1     11.0943570              1.0000000        
P   1
  1      7.3170250              1.0000000        
P   1
  1      1.2597710              1.0000000        
P   1
  1      0.5442120              1.0000000        
D   1
  1      3.0868860              1.0000000        
D   1
  1      1.1466900              1.0000000        
D   1
  1      0.4119370              1.0000000        
F   1
  1      2.2506970              1.0000000        
F   1
  1      0.7980390              1.0000000        
G   1
  1      2.0693450              1.0000000        
G   1
  1      1.0306510              1.0000000


name: aug-cc-pVQZ_OPTRI
description: CABS RI basis sets for F12 matched to aug-cc-pVnZ orbital basis sets
elt: He
data:
HELIUM
S   1
  1     12.9408090              1.0000000        
S   1
  1      3.8954350              1.0000000        
S   1
  1      0.7947010              1.0000000        
S   1
  1      0.2726460              1.0000000        
P   1
  1     17.3819380              1.0000000        
P   1
  1     11.5992630              1.0000000        
P   1
  1      2.6042550              1.0000000        
P   1
  1      0.8469580              1.0000000        
D   1
  1      9.3968330              1.0000000        
D   1
  1      2.3838510              1.0000000        
D   1
  1      0.7137540              1.0000000        
F   1
  1      4.2325560              1.0000000        
F   1
  1      1.5962640              1.0000000        
G   1
  1      5.1142230              1.0000000        
G   1
  1      1.6878750              1.0000000


name: aug-cc-pVQZ_OPTRI
description: CABS RI basis sets for F12 matched to aug-cc-pVnZ orbital basis sets
elt: B
data:
BORON
S   1
  1      1.2546950              1.0000000        
S   1
  1      0.3139120              1.0000000        
S   1
  1      0.1229490              1.0000000        
S   1
  1      0.0478370              1.0000000        
P   1
  1      2.5102350              1.0000000        
P   1
  1      1.1138940              1.0000000        
P   1
  1      0.3362010              1.0000000        
P   1
  1      0.0968670              1.0000000        
P   1
  1      0.0281810              1.0000000        
D   1
  1      1.6616030              1.0000000        
D   1
  1      0.6023610              1.0000000        
D   1
  1      0.2591430              1.0000000        
D   1
  1      0.0711250              1.0000000        
F   1
  1      2.3204290              1.0000000        
F   1
  1      0.5883900              1.0000000        
F   1
  1      0.2075830              1.0000000        
G   1
  1      1.1746950              1.0000000        
G   1
  1      0.4496020              1.0000000        
H   1
  1      0.7715350              1.0000000


name: aug-cc-pVQZ_OPTRI
description: CABS RI basis sets for F12 matched to aug-cc-pVnZ orbital basis sets
elt: C
data:
CARBON
S   1
  1      1.9243280              1.0000000        
S   1
  1      0.4328350              1.0000000        
S   1
  1      0.1658680              1.0000000        
S   1
  1      0.0623110              1.0000000        
P   1
  1      3.1349440              1.0000000        
P   1
  1      1.2217570              1.0000000        
P   1
  1      0.0470590              1.0000000        
P   1
  1      0.1513110              1.0000000        
P   1
  1      0.0690850              1.0000000        
D   1
  1      3.1104010              1.0000000        
D   1
  1      1.2349710              1.0000000        
D   1
  1      0.3390880              1.0000000        
D   1
  1      0.1146930              1.0000000        
F   1
  1      3.4522250              1.0000000        
F   1
  1      0.7262480              1.0000000        
F   1
  1      0.3144250              1.0000000        
G   1
  1      2.1908090              1.0000000        
G   1
  1      0.6759270              1.0000000        
H   1
  1      1.1556570              1.0000000


name: aug-cc-pVQZ_OPTRI
description: CABS RI basis sets for F12 matched to aug-cc-pVnZ orbital basis sets
elt: N
data:
NITROGEN
S   1
  1      2.7220260              1.0000000        
S   1
  1      0.6975340              1.0000000        
S   1
  1      0.2301430              1.0000000        
S   1
  1      0.0821780              1.0000000        
P   1
  1      5.1216190              1.0000000        
P   1
  1      1.7516440              1.0000000        
P   1
  1      0.6243640              1.0000000        
P   1
  1      0.2134000              1.0000000        
P   1
  1      0.0867810              1.0000000        
D   1
  1      7.4942200              1.0000000        
D   1
  1      1.4399890              1.0000000        
D   1
  1      0.5010470              1.0000000        
D   1
  1      0.1649940              1.0000000        
F   1
  1      4.9267430              1.0000000        
F   1
  1      1.0251810              1.0000000        
F   1
  1      0.3668960              1.0000000        
G   1
  1      3.0053740              1.0000000        
G   1
  1      0.9546390              1.0000000        
H   1
  1      1.7316070              1.0000000


name: aug-cc-pVQZ_OPTRI
description: CABS RI basis sets for F12 matched to aug-cc-pVnZ orbital basis sets
elt: O
data:
OXYGEN
S   1
  1      3.1804370              1.0000000        
S   1
  1      0.8484970              1.0000000        
S   1
  1      0.3180600              1.0000000        
S   1
  1      0.1094320              1.0000000        
P   1
  1      7.3093280              1.0000000        
P   1
  1      2.2839630              1.0000000        
P   1
  1      0.7939460              1.0000000        
P   1
  1      0.3017470              1.0000000        
P   1
  1      0.0973300              1.0000000        
D   1
  1     11.2588150              1.0000000        
D   1
  1      2.1421780              1.0000000        
D   1
  1      0.7940130              1.0000000        
D   1
  1      0.2655830              1.0000000        
F   1
  1      6.4363930              1.0000000        
F   1
  1      1.2790620              1.0000000        
F   1
  1      0.5494640              1.0000000        
G   1
  1      4.2574940              1.0000000        
G   1
  1      1.0899390              1.0000000        
H   1
  1      2.1049590              1.0000000


name: aug-cc-pVQZ_OPTRI
description: CABS RI basis sets for F12 matched to aug-cc-pVnZ orbital basis sets
elt: F
data:
FLUORINE
S   1
  1      4.1774050              1.0000000        
S   1
  1      1.2320460              1.0000000        
S   1
  1      0.4138870              1.0000000        
S   1
  1      0.1367700              1.0000000        
P   1
  1      9.8346700              1.0000000        
P   1
  1      3.3380770              1.0000000        
P   1
  1      1.0022450              1.0000000        
P   1
  1      0.3818910              1.0000000        
P   1
  1      0.1391280              1.0000000        
D   1
  1     15.7298660              1.0000000        
D   1
  1      3.3201790              1.0000000        
D   1
  1      0.9974360              1.0000000        
D   1
  1      0.3183440              1.0000000        
F   1
  1      8.6470450              1.0000000        
F   1
  1      1.7123570              1.0000000        
F   1
  1      0.7430640              1.0000000        
G   1
  1      5.6578130              1.0000000        
G   1
  1      1.3842310              1.0000000        
H   1
  1      2.6820580              1.0000000


name: aug-cc-pVQZ_OPTRI
description: CABS RI basis sets for F12 matched to aug-cc-pVnZ orbital basis sets
elt: Ne
data:
NEON
S   1
  1      5.4868980              1.0000000        
S   1
  1      1.5089680              1.0000000        
S   1
  1      0.5161530              1.0000000        
S   1
  1      0.2164320              1.0000000        
P   1
  1     12.3595990              1.0000000        
P   1
  1      4.4976630              1.0000000        
P   1
  1      1.2654060              1.0000000        
P   1
  1      0.4371860              1.0000000        
P   1
  1      0.1224020              1.0000000        
D   1
  1     20.9096040              1.0000000        
D   1
  1      3.7248250              1.0000000        
D   1
  1      1.3438770              1.0000000        
D   1
  1      0.4094610              1.0000000        
F   1
  1     11.3404650              1.0000000        
F   1
  1      2.2707860              1.0000000        
F   1
  1      1.0245580              1.0000000        
G   1
  1      7.3978120              1.0000000        
G   1
  1      1.9949970              1.0000000        
H   1
  1      3.3789810              1.0000000


name: aug-cc-pVQZ_OPTRI
description: CABS RI basis sets for F12 matched to aug-cc-pVnZ orbital basis sets
elt: Al
data:
ALUMINUM
S   1
  1      4.6451000              1.0000000        
S   1
  1      1.0577050              1.0000000        
S   1
  1      0.4654760              1.0000000        
S   1
  1      0.1705880              1.0000000        
S   1
  1      0.0753220              1.0000000        
P   1
  1      8.4778910              1.0000000        
P   1
  1      2.6481590              1.0000000        
P   1
  1      0.8619480              1.0000000        
P   1
  1      0.5741500              1.0000000        
P   1
  1      0.1648890              1.0000000        
D   1
  1      9.8240030              1.0000000        
D   1
  1      3.7944930              1.0000000        
D   1
  1      0.7324450              1.0000000        
D   1
  1      0.2917770              1.0000000        
F   1
  1      2.1573740              1.0000000        
F   1
  1      0.2676460              1.0000000        
F   1
  1      0.0979050              1.0000000        
G   1
  1      0.5342440              1.0000000        
G   1
  1      0.2383400              1.0000000        
H   1
  1      0.4025270              1.0000000


name: aug-cc-pVQZ_OPTRI
description: CABS RI basis sets for F12 matched to aug-cc-pVnZ orbital basis sets
elt: Si
data:
SILICON
S   1
  1      6.8310980              1.0000000        
S   1
  1      1.4085780              1.0000000        
S   1
  1      0.5580080              1.0000000        
S   1
  1      0.2472680              1.0000000        
S   1
  1      0.1130090              1.0000000        
P   1
  1     11.3230920              1.0000000        
P   1
  1      4.2037180              1.0000000        
P   1
  1      0.9957110              1.0000000        
P   1
  1      0.6133260              1.0000000        
P   1
  1      0.2514640              1.0000000        
D   1
  1     12.7034610              1.0000000        
D   1
  1      3.9804820              1.0000000        
D   1
  1      0.9141630              1.0000000        
D   1
  1      0.4059280              1.0000000        
F   1
  1      3.0019900              1.0000000        
F   1
  1      0.3616150              1.0000000        
F   1
  1      0.1413000              1.0000000        
G   1
  1      0.6891270              1.0000000        
G   1
  1      0.3130780              1.0000000        
H   1
  1      0.5383670              1.0000000


name: aug-cc-pVQZ_OPTRI
description: CABS RI basis sets for F12 matched to aug-cc-pVnZ orbital basis sets
elt: P
data:
PHOSPHORUS
S   1
  1     10.6337500              1.0000000        
S   1
  1      1.7092830              1.0000000        
S   1
  1      0.7460730              1.0000000        
S   1
  1      0.3328650              1.0000000        
S   1
  1      0.1398460              1.0000000        
P   1
  1     15.5771850              1.0000000        
P   1
  1      6.9008780              1.0000000        
P   1
  1      1.5036430              1.0000000        
P   1
  1      0.8394800              1.0000000        
P   1
  1      0.3147840              1.0000000        
D   1
  1     21.0581510              1.0000000        
D   1
  1      5.9287290              1.0000000        
D   1
  1      1.5256750              1.0000000        
D   1
  1      0.5426730              1.0000000        
F   1
  1      4.1718520              1.0000000        
F   1
  1      0.4698420              1.0000000        
F   1
  1      0.1849510              1.0000000        
G   1
  1      0.8909170              1.0000000        
G   1
  1      0.3980390              1.0000000        
H   1
  1      0.7072550              1.0000000


name: aug-cc-pVQZ_OPTRI
description: CABS RI basis sets for F12 matched to aug-cc-pVnZ orbital basis sets
elt: S
data:
SULFUR
S   1
  1     13.2187360              1.0000000        
S   1
  1      2.0816100              1.0000000        
S   1
  1      0.9798040              1.0000000        
S   1
  1      0.4238750              1.0000000        
S   1
  1      0.1906110              1.0000000        
P   1
  1     15.7512500              1.0000000        
P   1
  1      8.8678240              1.0000000        
P   1
  1      1.7251480              1.0000000        
P   1
  1      1.1282320              1.0000000        
P   1
  1      0.3710600              1.0000000        
D   1
  1     26.0850610              1.0000000        
D   1
  1      6.8050460              1.0000000        
D   1
  1      2.0436680              1.0000000        
D   1
  1      0.6866710              1.0000000        
F   1
  1      5.2420230              1.0000000        
F   1
  1      0.5823140              1.0000000        
F   1
  1      0.2233780              1.0000000        
G   1
  1      1.0168020              1.0000000        
G   1
  1      0.4554820              1.0000000        
H   1
  1      0.8833010              1.0000000


name: aug-cc-pVQZ_OPTRI
description: CABS RI basis sets for F12 matched to aug-cc-pVnZ orbital basis sets
elt: Cl
data:
CHLORINE
S   1
  1     15.2916930              1.0000000        
S   1
  1      2.3712070              1.0000000        
S   1
  1      1.3126100              1.0000000        
S   1
  1      0.5240920              1.0000000        
S   1
  1      0.2293530              1.0000000        
P   1
  1     17.4700560              1.0000000        
P   1
  1     11.6684790              1.0000000        
P   1
  1      1.9511930              1.0000000        
P   1
  1      1.3034690              1.0000000        
P   1
  1      0.4496340              1.0000000        
D   1
  1     28.5974510              1.0000000        
D   1
  1      8.4822350              1.0000000        
D   1
  1      2.8443240              1.0000000        
D   1
  1      0.8638060              1.0000000        
F   1
  1      6.4589300              1.0000000        
F   1
  1      0.7289680              1.0000000        
F   1
  1      0.3030930              1.0000000        
G   1
  1      1.2292730              1.0000000        
G   1
  1      0.5600770              1.0000000        
H   1
  1      1.0746150              1.0000000


name: aug-cc-pVQZ_OPTRI
description: CABS RI basis sets for F12 matched to aug-cc-pVnZ orbital basis sets
elt: Ar
data:
ARGON
S   1
  1     18.9796020              1.0000000        
S   1
  1      4.1411890              1.0000000        
S   1
  1      2.1664950              1.0000000        
S   1
  1      0.6317630              1.0000000        
S   1
  1      0.2565240              1.0000000        
P   1
  1     23.1691270              1.0000000        
P   1
  1      9.9868580              1.0000000        
P   1
  1      2.6324670              1.0000000        
P   1
  1      1.2767230              1.0000000        
P   1
  1      0.5032810              1.0000000        
D   1
  1     32.0781770              1.0000000        
D   1
  1      9.4657240              1.0000000        
D   1
  1      2.8134950              1.0000000        
D   1
  1      1.0585130              1.0000000        
F   1
  1      7.9124640              1.0000000        
F   1
  1      0.8891880              1.0000000        
F   1
  1      0.3994810              1.0000000        
G   1
  1      1.4916260              1.0000000        
G   1
  1      0.6807730              1.0000000        
H   1
  1      1.3135840              1.0000000        
$


name: aug-cc-pVTZ Diffuse
description: 1D Diffuse Functions
elt: H
data:
HYDROGEN
S   1
  1      0.0252600              1.0000000        
P   1
  1      0.1020000              1.0000000        
D   1
  1      0.2470000              1.0000000


name: aug-cc-pVTZ Diffuse
description: 1D Diffuse Functions
elt: He
data:
HELIUM
S   1
  1      0.0513800              1.0000000        
P   1
  1      0.1993000              1.0000000        
D   1
  1      0.4592000              1.0000000


name: aug-cc-pVTZ Diffuse
description: 1D Diffuse Functions
elt: Li
data:
LITHIUM
S   1
  1      0.0076000              1.0000000        
P   1
  1      0.0091000              1.0000000        
D   1
  1      0.0371000              1.0000000        
F   1
  1      0.0816000              1.0000000


name: aug-cc-pVTZ Diffuse
description: 1D Diffuse Functions
elt: Be
data:
BERYLLIUM
S   1
  1      0.0150300              1.0000000        
P   1
  1      0.0070600              1.0000000        
D   1
  1      0.0654000              1.0000000        
F   1
  1      0.1533000              1.0000000


name: aug-cc-pVTZ Diffuse
description: 1D Diffuse Functions
elt: B
data:
BORON
S   1
  1      0.0291400              1.0000000        
P   1
  1      0.0209600              1.0000000        
D   1
  1      0.0604000              1.0000000        
F   1
  1      0.1630000              1.0000000


name: aug-cc-pVTZ Diffuse
description: 1D Diffuse Functions
elt: C
data:
CARBON
S   1
  1      0.0440200              1.0000000        
P   1
  1      0.0356900              1.0000000        
D   1
  1      0.1000000              1.0000000        
F   1
  1      0.2680000              1.0000000


name: aug-cc-pVTZ Diffuse
description: 1D Diffuse Functions
elt: N
data:
NITROGEN
S   1
  1      0.0576000              1.0000000        
P   1
  1      0.0491000              1.0000000        
D   1
  1      0.1510000              1.0000000        
F   1
  1      0.3640000              1.0000000


name: aug-cc-pVTZ Diffuse
description: 1D Diffuse Functions
elt: O
data:
OXYGEN
S   1
  1      0.0737600              1.0000000        
P   1
  1      0.0597400              1.0000000        
D   1
  1      0.2140000              1.0000000        
F   1
  1      0.5000000              1.0000000


name: aug-cc-pVTZ Diffuse
description: 1D Diffuse Functions
elt: F
data:
FLUORINE
S   1
  1      0.0915800              1.0000000        
P   1
  1      0.0736100              1.0000000        
D   1
  1      0.2920000              1.0000000        
F   1
  1      0.7240000              1.0000000


name: aug-cc-pVTZ Diffuse
description: 1D Diffuse Functions
elt: Ne
data:
NEON
S   1
  1      0.1133000              1.0000000        
P   1
  1      0.0917500              1.0000000        
D   1
  1      0.3860000              1.0000000        
F   1
  1      1.0840000              1.0000000


name: aug-cc-pVTZ Diffuse
description: 1D Diffuse Functions
elt: Na
data:
SODIUM
S   1
  1      0.0066500              1.0000000        
P   1
  1      0.0070000              1.0000000        
D   1
  1      0.0223000              1.0000000        
F   1
  1      0.0714000              1.0000000


name: aug-cc-pVTZ Diffuse
description: 1D Diffuse Functions
elt: Mg
data:
MAGNESIUM
S   1
  1      0.0129000              1.0000000        
P   1
  1      0.0074500              1.0000000        
D   1
  1      0.0468000              1.0000000        
F   1
  1      0.0940000              1.0000000


name: aug-cc-pVTZ Diffuse
description: 1D Diffuse Functions
elt: Al
data:
ALUMINUM
S   1
  1      0.0221000              1.0000000        
P   1
  1      0.0146000              1.0000000        
D   1
  1      0.0356000              1.0000000        
F   1
  1      0.0858000              1.0000000


name: aug-cc-pVTZ Diffuse
description: 1D Diffuse Functions
elt: Si
data:
SILICON
S   1
  1      0.0330000              1.0000000        
P   1
  1      0.0237000              1.0000000        
D   1
  1      0.0556000              1.0000000        
F   1
  1      0.1250000              1.0000000


name: aug-cc-pVTZ Diffuse
description: 1D Diffuse Functions
elt: Cl
data:
CHLORINE
S   1
  1      0.0591000              1.0000000        
P   1
  1      0.0419000              1.0000000        
D   1
  1      0.1350000              1.0000000        
F   1
  1      0.3120000              1.0000000


name: aug-cc-pVTZ Diffuse
description: 1D Diffuse Functions
elt: Ar
data:
ARGON
S   1
  1      0.0685000              1.0000000        
P   1
  1      0.0487000              1.0000000        
D   1
  1      0.1690000              1.0000000        
F   1
  1      0.4060000              1.0000000


name: aug-cc-pVTZ Diffuse
description: 1D Diffuse Functions
elt: Sc
data:
SCANDIUM
S   1
  1      1.110000E-02           1.0000000        
P   1
  1      1.066000E-02           1.0000000        
D   1
  1      1.244000E-02           1.0000000        
F   1
  1      4.063000E-02           1.0000000        
G   1
  1      9.473000E-02           1.0000000


name: aug-cc-pVTZ Diffuse
description: 1D Diffuse Functions
elt: Ti
data:
TITANIUM
S   1
  1      0.0117300              1.0000000        
P   1
  1      0.0117600              1.0000000        
D   1
  1      0.0172600              1.0000000        
F   1
  1      0.0826600              1.0000000        
G   1
  1      0.2114800              1.0000000


name: aug-cc-pVTZ Diffuse
description: 1D Diffuse Functions
elt: V
data:
VANADIUM
S   1
  1      0.0123200              1.0000000        
P   1
  1      0.0124400              1.0000000        
D   1
  1      0.0225600              1.0000000        
F   1
  1      0.1311200              1.0000000        
G   1
  1      0.3846500              1.0000000


name: aug-cc-pVTZ Diffuse
description: 1D Diffuse Functions
elt: Cr
data:
CHROMIUM
S   1
  1      0.0124700              1.0000000        
P   1
  1      0.0130700              1.0000000        
D   1
  1      0.0251700              1.0000000        
F   1
  1      0.1763600              1.0000000        
G   1
  1      0.5132900              1.0000000


name: aug-cc-pVTZ Diffuse
description: 1D Diffuse Functions
elt: Mn
data:
MANGANESE
S   1
  1      0.0133500              1.0000000        
P   1
  1      0.0138000              1.0000000        
D   1
  1      0.0287500              1.0000000        
F   1
  1      0.2226000              1.0000000        
G   1
  1      0.6321300              1.0000000


name: aug-cc-pVTZ Diffuse
description: 1D Diffuse Functions
elt: Fe
data:
IRON
S   1
  1      0.0140100              1.0000000        
P   1
  1      0.0140700              1.0000000        
D   1
  1      0.0324300              1.0000000        
F   1
  1      0.2749000              1.0000000        
G   1
  1      0.7871600              1.0000000


name: aug-cc-pVTZ Diffuse
description: 1D Diffuse Functions
elt: Co
data:
COBALT
S   1
  1      0.0145900              1.0000000        
P   1
  1      0.0152500              1.0000000        
D   1
  1      0.0362500              1.0000000        
F   1
  1      0.3271500              1.0000000        
G   1
  1      0.9581400              1.0000000


name: aug-cc-pVTZ Diffuse
description: 1D Diffuse Functions
elt: Ni
data:
NICKEL
S   1
  1      0.0151600              1.0000000        
P   1
  1      0.0150200              1.0000000        
D   1
  1      0.0406700              1.0000000        
F   1
  1      0.4083000              1.0000000        
G   1
  1      1.2048500              1.0000000


name: aug-cc-pVTZ Diffuse
description: 1D Diffuse Functions
elt: Cu
data:
COPPER
S   1
  1      0.0157200              1.0000000        
P   1
  1      0.0154500              1.0000000        
D   1
  1      0.0659100              1.0000000        
F   1
  1      0.4617200              1.0000000        
G   1
  1      1.4597900              1.0000000


name: aug-cc-pVTZ Diffuse
description: 1D Diffuse Functions
elt: Zn
data:
ZINC
S   1
  1      0.0162300              1.0000000        
P   1
  1      0.0159200              1.0000000        
D   1
  1      0.0904900              1.0000000        
F   1
  1      0.5486100              1.0000000        
G   1
  1      1.8293300              1.0000000


name: aug-cc-pVTZ Diffuse
description: 1D Diffuse Functions
elt: Ga
data:
GALLIUM
S   1
  1      0.0143980              1.0000000        
P   1
  1      0.0193000              1.0000000        
D   1
  1      0.0387000              1.0000000        
F   1
  1      0.0980000              1.0000000


name: aug-cc-pVTZ Diffuse
description: 1D Diffuse Functions
elt: Ge
data:
GERMANIUM
S   1
  1      0.0273700              1.0000000        
P   1
  1      0.0213680              1.0000000        
D   1
  1      0.0528000              1.0000000        
F   1
  1      0.1323000              1.0000000


name: aug-cc-pVTZ Diffuse
description: 1D Diffuse Functions
elt: As
data:
ARSENIC
S   1
  1      0.0334070              1.0000000        
P   1
  1      0.0267990              1.0000000        
D   1
  1      0.0700000              1.0000000        
F   1
  1      0.1690000              1.0000000


name: aug-cc-pVTZ Diffuse
description: 1D Diffuse Functions
elt: Se
data:
SELENIUM
S   1
  1      0.0392010              1.0000000        
P   1
  1      0.0302510              1.0000000        
D   1
  1      0.0837000              1.0000000        
F   1
  1      0.1880000              1.0000000


name: aug-cc-pVTZ Diffuse
description: 1D Diffuse Functions
elt: Br
data:
BROMINE
S   1
  1      0.0455930              1.0000000        
P   1
  1      0.0351420              1.0000000        
D   1
  1      0.1047000              1.0000000        
F   1
  1      0.2580000              1.0000000


name: aug-cc-pVTZ Diffuse
description: 1D Diffuse Functions
elt: Kr
data:
KRYPTON
S   1
  1      0.0519850              1.0000000        
P   1
  1      0.0400330              1.0000000        
D   1
  1      0.1257000              1.0000000        
F   1
  1      0.3280000              1.0000000        
$


name: aug-cc-pVTZ
description: VTZ2PD Valence Triple Zeta + Polarization + Diffuse
elt: H
data:
HYDROGEN
S   3
  1     33.8700000              0.0060680        
  2      5.0950000              0.0453080        
  3      1.1590000              0.2028220        
S   1
  1      0.3258000              1.0000000        
S   1
  1      0.1027000              1.0000000        
S   1
  1      0.0252600              1.0000000        
P   1
  1      1.4070000              1.0000000        
P   1
  1      0.3880000              1.0000000        
P   1
  1      0.1020000              1.0000000        
D   1
  1      1.0570000              1.0000000        
D   1
  1      0.2470000              1.0000000


name: aug-cc-pVTZ
description: VTZ2PD Valence Triple Zeta + Polarization + Diffuse
elt: He
data:
HELIUM
S   4
  1    234.0000000              0.0025870        
  2     35.1600000              0.0195330        
  3      7.9890000              0.0909980        
  4      2.2120000              0.2720500        
S   1
  1      0.6669000              1.0000000        
S   1
  1      0.2089000              1.0000000        
S   1
  1      0.0513800              1.0000000        
P   1
  1      3.0440000              1.0000000        
P   1
  1      0.7580000              1.0000000        
P   1
  1      0.1993000              1.0000000        
D   1
  1      1.9650000              1.0000000        
D   1
  1      0.4592000              1.0000000


name: aug-cc-pVTZ
description: VTZ2PD Valence Triple Zeta + Polarization + Diffuse
elt: Li
data:
LITHIUM
S   9
  1   5988.0000000              0.0001330        
  2    898.9000000              0.0010250        
  3    205.9000000              0.0052720        
  4     59.2400000              0.0209290        
  5     19.8700000              0.0663400        
  6      7.4060000              0.1657750        
  7      2.9300000              0.3150380        
  8      1.1890000              0.3935230        
  9      0.4798000              0.1908700        
S   9
  1   5988.0000000             -0.0000210        
  2    898.9000000             -0.0001610        
  3    205.9000000             -0.0008200        
  4     59.2400000             -0.0033260        
  5     19.8700000             -0.0105190        
  6      7.4060000             -0.0280970        
  7      2.9300000             -0.0559360        
  8      1.1890000             -0.0992370        
  9      0.4798000             -0.1121890        
S   1
  1      0.0750900              1.0000000        
S   1
  1      0.0283200              1.0000000        
S   1
  1      0.0076000              1.0000000        
P   3
  1      3.2660000              0.0086300        
  2      0.6511000              0.0475380        
  3      0.1696000              0.2097720        
P   1
  1      0.0557800              1.0000000        
P   1
  1      0.0205000              1.0000000        
P   1
  1      0.0091000              1.0000000        
D   1
  1      0.1874000              1.0000000        
D   1
  1      0.0801000              1.0000000        
D   1
  1      0.0371000              1.0000000        
F   1
  1      0.1829000              1.0000000        
F   1
  1      0.0816000              1.0000000


name: aug-cc-pVTZ
description: VTZ2PD Valence Triple Zeta + Polarization + Diffuse
elt: Be
data:
BERYLLIUM
S   9
  1   6863.0000000              0.0002360        
  2   1030.0000000              0.0018260        
  3    234.7000000              0.0094520        
  4     66.5600000              0.0379570        
  5     21.6900000              0.1199650        
  6      7.7340000              0.2821620        
  7      2.9160000              0.4274040        
  8      1.1300000              0.2662780        
  9      0.1101000             -0.0072750        
S   9
  1   6863.0000000             -0.0000430        
  2   1030.0000000             -0.0003330        
  3    234.7000000             -0.0017360        
  4     66.5600000             -0.0070120        
  5     21.6900000             -0.0231260        
  6      7.7340000             -0.0581380        
  7      2.9160000             -0.1145560        
  8      1.1300000             -0.1359080        
  9      0.1101000              0.5774410        
S   1
  1      0.2577000              1.0000000        
S   1
  1      0.0440900              1.0000000        
S   1
  1      0.0150300              1.0000000        
P   3
  1      7.4360000              0.0107360        
  2      1.5770000              0.0628540        
  3      0.4352000              0.2481800        
P   1
  1      0.1438000              1.0000000        
P   1
  1      0.0499400              1.0000000        
P   1
  1      0.0070600              1.0000000        
D   1
  1      0.3480000              1.0000000        
D   1
  1      0.1803000              1.0000000        
D   1
  1      0.0654000              1.0000000        
F   1
  1      0.3250000              1.0000000        
F   1
  1      0.1533000              1.0000000


name: aug-cc-pVTZ
description: VTZ2PD Valence Triple Zeta + Polarization + Diffuse
elt: B
data:
BORON
S   8
  1   5473.0000000              0.0005550        
  2    820.9000000              0.0042910        
  3    186.8000000              0.0219490        
  4     52.8300000              0.0844410        
  5     17.0800000              0.2385570        
  6      5.9990000              0.4350720        
  7      2.2080000              0.3419550        
  8      0.2415000             -0.0095450        
S   8
  1   5473.0000000             -0.0001120        
  2    820.9000000             -0.0008680        
  3    186.8000000             -0.0044840        
  4     52.8300000             -0.0176830        
  5     17.0800000             -0.0536390        
  6      5.9990000             -0.1190050        
  7      2.2080000             -0.1658240        
  8      0.2415000              0.5959810        
S   1
  1      0.5879000              1.0000000        
S   1
  1      0.0861000              1.0000000        
S   1
  1      0.0291400              1.0000000        
P   3
  1     12.0500000              0.0131180        
  2      2.6130000              0.0798960        
  3      0.7475000              0.2772750        
P   1
  1      0.2385000              1.0000000        
P   1
  1      0.0769800              1.0000000        
P   1
  1      0.0209600              1.0000000        
D   1
  1      0.6610000              1.0000000        
D   1
  1      0.1990000              1.0000000        
D   1
  1      0.0604000              1.0000000        
F   1
  1      0.4900000              1.0000000        
F   1
  1      0.1630000              1.0000000


name: aug-cc-pVTZ
description: VTZ2PD Valence Triple Zeta + Polarization + Diffuse
elt: C
data:
CARBON
S   8
  1   8236.0000000              0.0005310        
  2   1235.0000000              0.0041080        
  3    280.8000000              0.0210870        
  4     79.2700000              0.0818530        
  5     25.5900000              0.2348170        
  6      8.9970000              0.4344010        
  7      3.3190000              0.3461290        
  8      0.3643000             -0.0089830        
S   8
  1   8236.0000000             -0.0001130        
  2   1235.0000000             -0.0008780        
  3    280.8000000             -0.0045400        
  4     79.2700000             -0.0181330        
  5     25.5900000             -0.0557600        
  6      8.9970000             -0.1268950        
  7      3.3190000             -0.1703520        
  8      0.3643000              0.5986840        
S   1
  1      0.9059000              1.0000000        
S   1
  1      0.1285000              1.0000000        
S   1
  1      0.0440200              1.0000000        
P   3
  1     18.7100000              0.0140310        
  2      4.1330000              0.0868660        
  3      1.2000000              0.2902160        
P   1
  1      0.3827000              1.0000000        
P   1
  1      0.1209000              1.0000000        
P   1
  1      0.0356900              1.0000000        
D   1
  1      1.0970000              1.0000000        
D   1
  1      0.3180000              1.0000000        
D   1
  1      0.1000000              1.0000000        
F   1
  1      0.7610000              1.0000000        
F   1
  1      0.2680000              1.0000000


name: aug-cc-pVTZ
description: VTZ2PD Valence Triple Zeta + Polarization + Diffuse
elt: N
data:
NITROGEN
S   8
  1  11420.0000000              0.0005230        
  2   1712.0000000              0.0040450        
  3    389.3000000              0.0207750        
  4    110.0000000              0.0807270        
  5     35.5700000              0.2330740        
  6     12.5400000              0.4335010        
  7      4.6440000              0.3474720        
  8      0.5118000             -0.0085080        
S   8
  1  11420.0000000             -0.0001150        
  2   1712.0000000             -0.0008950        
  3    389.3000000             -0.0046240        
  4    110.0000000             -0.0185280        
  5     35.5700000             -0.0573390        
  6     12.5400000             -0.1320760        
  7      4.6440000             -0.1725100        
  8      0.5118000              0.5999440        
S   1
  1      1.2930000              1.0000000        
S   1
  1      0.1787000              1.0000000        
S   1
  1      0.0576000              1.0000000        
P   3
  1     26.6300000              0.0146700        
  2      5.9480000              0.0917640        
  3      1.7420000              0.2986830        
P   1
  1      0.5550000              1.0000000        
P   1
  1      0.1725000              1.0000000        
P   1
  1      0.0491000              1.0000000        
D   1
  1      1.6540000              1.0000000        
D   1
  1      0.4690000              1.0000000        
D   1
  1      0.1510000              1.0000000        
F   1
  1      1.0930000              1.0000000        
F   1
  1      0.3640000              1.0000000


name: aug-cc-pVTZ
description: VTZ2PD Valence Triple Zeta + Polarization + Diffuse
elt: O
data:
OXYGEN
S   8
  1  15330.0000000              0.0005080        
  2   2299.0000000              0.0039290        
  3    522.4000000              0.0202430        
  4    147.3000000              0.0791810        
  5     47.5500000              0.2306870        
  6     16.7600000              0.4331180        
  7      6.2070000              0.3502600        
  8      0.6882000             -0.0081540        
S   8
  1  15330.0000000             -0.0001150        
  2   2299.0000000             -0.0008950        
  3    522.4000000             -0.0046360        
  4    147.3000000             -0.0187240        
  5     47.5500000             -0.0584630        
  6     16.7600000             -0.1364630        
  7      6.2070000             -0.1757400        
  8      0.6882000              0.6034180        
S   1
  1      1.7520000              1.0000000        
S   1
  1      0.2384000              1.0000000        
S   1
  1      0.0737600              1.0000000        
P   3
  1     34.4600000              0.0159280        
  2      7.7490000              0.0997400        
  3      2.2800000              0.3104920        
P   1
  1      0.7156000              1.0000000        
P   1
  1      0.2140000              1.0000000        
P   1
  1      0.0597400              1.0000000        
D   1
  1      2.3140000              1.0000000        
D   1
  1      0.6450000              1.0000000        
D   1
  1      0.2140000              1.0000000        
F   1
  1      1.4280000              1.0000000        
F   1
  1      0.5000000              1.0000000


name: aug-cc-pVTZ
description: VTZ2PD Valence Triple Zeta + Polarization + Diffuse
elt: F
data:
FLUORINE
S   8
  1  19500.0000000              0.0005070        
  2   2923.0000000              0.0039230        
  3    664.5000000              0.0202000        
  4    187.5000000              0.0790100        
  5     60.6200000              0.2304390        
  6     21.4200000              0.4328720        
  7      7.9500000              0.3499640        
  8      0.8815000             -0.0078920        
S   8
  1  19500.0000000             -0.0001170        
  2   2923.0000000             -0.0009120        
  3    664.5000000             -0.0047170        
  4    187.5000000             -0.0190860        
  5     60.6200000             -0.0596550        
  6     21.4200000             -0.1400100        
  7      7.9500000             -0.1767820        
  8      0.8815000              0.6050430        
S   1
  1      2.2570000              1.0000000        
S   1
  1      0.3041000              1.0000000        
S   1
  1      0.0915800              1.0000000        
P   3
  1     43.8800000              0.0166650        
  2      9.9260000              0.1044720        
  3      2.9300000              0.3172600        
P   1
  1      0.9132000              1.0000000        
P   1
  1      0.2672000              1.0000000        
P   1
  1      0.0736100              1.0000000        
D   1
  1      3.1070000              1.0000000        
D   1
  1      0.8550000              1.0000000        
D   1
  1      0.2920000              1.0000000        
F   1
  1      1.9170000              1.0000000        
F   1
  1      0.7240000              1.0000000


name: aug-cc-pVTZ
description: VTZ2PD Valence Triple Zeta + Polarization + Diffuse
elt: Ne
data:
NEON
S   8
  1  24350.0000000              0.0005020        
  2   3650.0000000              0.0038810        
  3    829.6000000              0.0199970        
  4    234.0000000              0.0784180        
  5     75.6100000              0.2296760        
  6     26.7300000              0.4327220        
  7      9.9270000              0.3506420        
  8      1.1020000             -0.0076450        
S   8
  1  24350.0000000             -0.0001180        
  2   3650.0000000             -0.0009150        
  3    829.6000000             -0.0047370        
  4    234.0000000             -0.0192330        
  5     75.6100000             -0.0603690        
  6     26.7300000             -0.1425080        
  7      9.9270000             -0.1777100        
  8      1.1020000              0.6058360        
S   1
  1      2.8360000              1.0000000        
S   1
  1      0.3782000              1.0000000        
S   1
  1      0.1133000              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        
P   1
  1      0.0917500              1.0000000        
D   1
  1      4.0140000              1.0000000        
D   1
  1      1.0960000              1.0000000        
D   1
  1      0.3860000              1.0000000        
F   1
  1      2.5440000              1.0000000        
F   1
  1      1.0840000              1.0000000


name: aug-cc-pVTZ
description: VTZ2PD Valence Triple Zeta + Polarization + Diffuse
elt: Na
data:
SODIUM
S   14
  1 423000.0000000              0.180618D-04     
  2  63340.0000000              0.140430D-03     
  3  14410.0000000              0.738438D-03     
  4   4077.0000000              0.311182D-02     
  5   1328.0000000              0.112081D-01     
  6    478.6000000              0.352828D-01     
  7    186.2000000              0.959897D-01     
  8     76.9200000              0.213735D+00     
  9     33.3200000              0.348688D+00     
 10     15.0000000              0.324566D+00     
 11      6.8690000              0.112633D+00     
 12      2.6830000              0.706797D-02     
 13      1.1090000              0.598010D-03     
 14      0.0601500             -0.530870D-05     
S   14
  1 423000.0000000             -0.440653D-05     
  2  63340.0000000             -0.343443D-04     
  3  14410.0000000             -0.180114D-03     
  4   4077.0000000             -0.763900D-03     
  5   1328.0000000             -0.275248D-02     
  6    478.6000000             -0.886016D-02     
  7    186.2000000             -0.247939D-01     
  8     76.9200000             -0.605995D-01     
  9     33.3200000             -0.116446D+00     
 10     15.0000000             -0.162437D+00     
 11      6.8690000             -0.438891D-01     
 12      2.6830000              0.337917D+00     
 13      1.1090000              0.561347D+00     
 14      0.0601500              0.406754D-02     
S   14
  1 423000.0000000              0.663019D-06     
  2  63340.0000000              0.515769D-05     
  3  14410.0000000              0.271250D-04     
  4   4077.0000000              0.114635D-03     
  5   1328.0000000              0.415118D-03     
  6    478.6000000              0.132978D-02     
  7    186.2000000              0.375595D-02     
  8     76.9200000              0.914025D-02     
  9     33.3200000              0.179859D-01     
 10     15.0000000              0.251477D-01     
 11      6.8690000              0.763522D-02     
 12      2.6830000             -0.614589D-01     
 13      1.1090000             -0.115721D+00     
 14      0.0601500              0.626406D+00     
S   1
  1      0.4540000              1.0000000        
S   1
  1      0.0238200              1.0000000        
S   1
  1      0.0066500              1.0000000        
P   8
  1    243.3000000              0.224392D-02     
  2     57.3900000              0.173997D-01     
  3     18.1000000              0.774125D-01     
  4      6.5750000              0.219102D+00     
  5      2.5210000              0.378522D+00     
  6      0.9607000              0.394902D+00     
  7      0.3512000              0.160424D+00     
  8      0.0982700              0.233311D-02     
P   8
  1    243.3000000             -0.222401D-03     
  2     57.3900000             -0.174277D-02     
  3     18.1000000             -0.775456D-02     
  4      6.5750000             -0.225187D-01     
  5      2.5210000             -0.384330D-01     
  6      0.9607000             -0.450177D-01     
  7      0.3512000             -0.192132D-01     
  8      0.0982700              0.182697D+00     
P   1
  1      0.0373400              1.0000000        
P   1
  1      0.0150000              1.0000000        
P   1
  1      0.0070000              1.0000000        
D   1
  1      0.1367000              1.0000000        
D   1
  1      0.0636000              1.0000000        
D   1
  1      0.0223000              1.0000000        
F   1
  1      0.1397000              1.0000000        
F   1
  1      0.0714000              1.0000000


name: aug-cc-pVTZ
description: VTZ2PD Valence Triple Zeta + Polarization + Diffuse
elt: Mg
data:
MAGNESIUM
S   13
  1 164900.0000000              0.729929D-04     
  2  24710.0000000              0.566652D-03     
  3   5628.0000000              0.296269D-02     
  4   1596.0000000              0.122962D-01     
  5    521.0000000              0.427324D-01     
  6    188.0000000              0.123013D+00     
  7     73.0100000              0.274832D+00     
  8     29.9000000              0.401818D+00     
  9     12.5400000              0.264697D+00     
 10      4.3060000              0.332612D-01     
 11      1.8260000             -0.441335D-02     
 12      0.7417000              0.206024D-02     
 13      0.0761200              0.708195D-03     
S   13
  1 164900.0000000             -0.184248D-04     
  2  24710.0000000             -0.143500D-03     
  3   5628.0000000             -0.748710D-03     
  4   1596.0000000             -0.314407D-02     
  5    521.0000000             -0.110481D-01     
  6    188.0000000             -0.336058D-01     
  7     73.0100000             -0.825946D-01     
  8     29.9000000             -0.159314D+00     
  9     12.5400000             -0.152888D+00     
 10      4.3060000              0.190849D+00     
 11      1.8260000              0.579964D+00     
 12      0.7417000              0.372029D+00     
 13      0.0761200             -0.119344D-01     
S   13
  1 164900.0000000              0.355176D-05     
  2  24710.0000000              0.276420D-04     
  3   5628.0000000              0.144404D-03     
  4   1596.0000000              0.605744D-03     
  5    521.0000000              0.213527D-02     
  6    188.0000000              0.649934D-02     
  7     73.0100000              0.161446D-01     
  8     29.9000000              0.315766D-01     
  9     12.5400000              0.316374D-01     
 10      4.3060000             -0.439140D-01     
 11      1.8260000             -0.151093D+00     
 12      0.7417000             -0.217668D+00     
 13      0.0761200              0.547245D+00     
S   1
  1      0.1457000              1.0000000        
S   1
  1      0.0331000              1.0000000        
S   1
  1      0.0129000              1.0000000        
P   8
  1    316.9000000              0.207532D-02     
  2     74.8600000              0.162869D-01     
  3     23.7200000              0.738697D-01     
  4      8.6690000              0.214297D+00     
  5      3.3630000              0.382154D+00     
  6      1.3100000              0.398178D+00     
  7      0.4911000              0.152878D+00     
  8      0.2364000             -0.437540D-02     
P   8
  1    316.9000000             -0.329727D-03     
  2     74.8600000             -0.258754D-02     
  3     23.7200000             -0.119120D-01     
  4      8.6690000             -0.350227D-01     
  5      3.3630000             -0.639968D-01     
  6      1.3100000             -0.704436D-01     
  7      0.4911000             -0.375836D-01     
  8      0.2364000              0.177043D+00     
P   1
  1      0.0873300              1.0000000        
P   1
  1      0.0323700              1.0000000        
P   1
  1      0.0074500              1.0000000        
D   1
  1      0.1260000              1.0000000        
D   1
  1      0.2940000              1.0000000        
D   1
  1      0.0468000              1.0000000        
F   1
  1      0.2520000              1.0000000        
F   1
  1      0.0940000              1.0000000


name: aug-cc-pVTZ
description: VTZ2PD Valence Triple Zeta + Polarization + Diffuse
elt: Al
data:
ALUMINUM
S   13
  1 205500.0000000              0.678836D-04     
  2  30780.0000000              0.527149D-03     
  3   7006.0000000              0.276203D-02     
  4   1985.0000000              0.114728D-01     
  5    649.1000000              0.398188D-01     
  6    235.0000000              0.115040D+00     
  7     91.6200000              0.260887D+00     
  8     37.6700000              0.396386D+00     
  9     15.9100000              0.284597D+00     
 10      5.8500000              0.444583D-01     
 11      2.5420000             -0.489838D-02     
 12      1.0570000              0.261253D-02     
 13      0.1455000              0.722068D-03     
S   13
  1 205500.0000000             -0.176377D-04     
  2  30780.0000000             -0.137195D-03     
  3   7006.0000000             -0.718910D-03     
  4   1985.0000000             -0.301146D-02     
  5    649.1000000             -0.106014D-01     
  6    235.0000000             -0.321345D-01     
  7     91.6200000             -0.803156D-01     
  8     37.6700000             -0.156794D+00     
  9     15.9100000             -0.168376D+00     
 10      5.8500000              0.126879D+00     
 11      2.5420000              0.561494D+00     
 12      1.0570000              0.436613D+00     
 13      0.1455000             -0.114563D-01     
S   13
  1 205500.0000000              0.407315D-05     
  2  30780.0000000              0.316566D-04     
  3   7006.0000000              0.166116D-03     
  4   1985.0000000              0.694992D-03     
  5    649.1000000              0.245511D-02     
  6    235.0000000              0.744598D-02     
  7     91.6200000              0.188253D-01     
  8     37.6700000              0.372772D-01     
  9     15.9100000              0.419496D-01     
 10      5.8500000             -0.354375D-01     
 11      2.5420000             -0.175132D+00     
 12      1.0570000             -0.276203D+00     
 13      0.1455000              0.652809D+00     
S   1
  1      0.2931000              1.0000000        
S   1
  1      0.0565000              1.0000000        
S   1
  1      0.0221000              1.0000000        
P   7
  1    444.4000000              0.162786D-02     
  2    105.1000000              0.130687D-01     
  3     33.4700000              0.612341D-01     
  4     12.3300000              0.187870D+00     
  5      4.8690000              0.360452D+00     
  6      1.9610000              0.408454D+00     
  7      0.1888000              0.976514D-02     
P   7
  1    444.4000000             -0.286341D-03     
  2    105.1000000             -0.242308D-02     
  3     33.4700000             -0.108658D-01     
  4     12.3300000             -0.364307D-01     
  5      4.8690000             -0.641074D-01     
  6      1.9610000             -0.972239D-01     
  7      0.1888000              0.503448D+00     
P   1
  1      0.7834000              1.0000000        
P   1
  1      0.0555700              1.0000000        
P   1
  1      0.0146000              1.0000000        
D   1
  1      0.1090000              1.0000000        
D   1
  1      0.3330000              1.0000000        
D   1
  1      0.0356000              1.0000000        
F   1
  1      0.2440000              1.0000000        
F   1
  1      0.0858000              1.0000000


name: aug-cc-pVTZ
description: VTZ2PD Valence Triple Zeta + Polarization + Diffuse
elt: Si
data:
SILICON
S   13
  1 254900.0000000              0.625101D-04     
  2  38190.0000000              0.485553D-03     
  3   8690.0000000              0.254516D-02     
  4   2462.0000000              0.105866D-01     
  5    804.8000000              0.368787D-01     
  6    291.3000000              0.107479D+00     
  7    113.6000000              0.247936D+00     
  8     46.7500000              0.390927D+00     
  9     19.8200000              0.302026D+00     
 10      7.7080000              0.559236D-01     
 11      3.3400000             -0.402406D-02     
 12      1.4020000              0.258030D-02     
 13      0.2070000              0.607930D-03     
S   13
  1 254900.0000000             -0.166370D-04     
  2  38190.0000000             -0.129310D-03     
  3   8690.0000000             -0.678828D-03     
  4   2462.0000000             -0.284117D-02     
  5    804.8000000             -0.100551D-01     
  6    291.3000000             -0.305774D-01     
  7    113.6000000             -0.777256D-01     
  8     46.7500000             -0.154236D+00     
  9     19.8200000             -0.180368D+00     
 10      7.7080000              0.798218D-01     
 11      3.3400000              0.547441D+00     
 12      1.4020000              0.480119D+00     
 13      0.2070000             -0.106996D-01     
S   13
  1 254900.0000000              0.426257D-05     
  2  38190.0000000              0.331062D-04     
  3   8690.0000000              0.174015D-03     
  4   2462.0000000              0.727574D-03     
  5    804.8000000              0.258333D-02     
  6    291.3000000              0.786354D-02     
  7    113.6000000              0.202155D-01     
  8     46.7500000              0.407320D-01     
  9     19.8200000              0.499358D-01     
 10      7.7080000             -0.249396D-01     
 11      3.3400000             -0.190350D+00     
 12      1.4020000             -0.318350D+00     
 13      0.2070000              0.681180D+00     
S   1
  1      0.4387000              1.0000000        
S   1
  1      0.0794400              1.0000000        
S   1
  1      0.0330000              1.0000000        
P   7
  1    481.5000000              0.192045D-02     
  2    113.9000000              0.153552D-01     
  3     36.2300000              0.713991D-01     
  4     13.3400000              0.213052D+00     
  5      5.2520000              0.390354D+00     
  6      2.1200000              0.393721D+00     
  7      0.2528000              0.395630D-02     
P   7
  1    481.5000000             -0.405220D-03     
  2    113.9000000             -0.335896D-02     
  3     36.2300000             -0.152860D-01     
  4     13.3400000             -0.489218D-01     
  5      5.2520000             -0.855008D-01     
  6      2.1200000             -0.112137D+00     
  7      0.2528000              0.551919D+00     
P   1
  1      0.8561000              1.0000000        
P   1
  1      0.0788900              1.0000000        
P   1
  1      0.0237000              1.0000000        
D   1
  1      0.1590000              1.0000000        
D   1
  1      0.4810000              1.0000000        
D   1
  1      0.0556000              1.0000000        
F   1
  1      0.3360000              1.0000000        
F   1
  1      0.1250000              1.0000000


name: aug-cc-pVTZ
description: VTZ2PD Valence Triple Zeta + Polarization + Diffuse
elt: P
data:
PHOSPHORUS
S   13
  1 312400.0000000              0.576960D-04     
  2  46800.0000000              0.448296D-03     
  3  10650.0000000              0.234939D-02     
  4   3018.0000000              0.978265D-02     
  5    986.8000000              0.341467D-01     
  6    357.4000000              0.100204D+00     
  7    139.6000000              0.234372D+00     
  8     57.6300000              0.382434D+00     
  9     24.6000000              0.318088D+00     
 10     10.1200000              0.707788D-01     
 11      4.2830000             -0.181799D-02     
 12      1.8050000              0.216180D-02     
 13      0.2782000              0.432297D-03     
S   13
  1 312400.0000000             -0.156709D-04     
  2  46800.0000000             -0.121724D-03     
  3  10650.0000000             -0.639672D-03     
  4   3018.0000000             -0.267426D-02     
  5    986.8000000             -0.949831D-02     
  6    357.4000000             -0.289349D-01     
  7    139.6000000             -0.745121D-01     
  8     57.6300000             -0.149938D+00     
  9     24.6000000             -0.189467D+00     
 10     10.1200000              0.363270D-01     
 11      4.2830000              0.528816D+00     
 12      1.8050000              0.519115D+00     
 13      0.2782000             -0.925695D-02     
S   13
  1 312400.0000000              0.430631D-05     
  2  46800.0000000              0.334194D-04     
  3  10650.0000000              0.175885D-03     
  4   3018.0000000              0.734340D-03     
  5    986.8000000              0.261775D-02     
  6    357.4000000              0.797852D-02     
  7    139.6000000              0.207940D-01     
  8     57.6300000              0.424446D-01     
  9     24.6000000              0.563436D-01     
 10     10.1200000             -0.127358D-01     
 11      4.2830000             -0.196495D+00     
 12      1.8050000             -0.353555D+00     
 13      0.2782000              0.700912D+00     
S   1
  1      0.6158000              1.0000000        
S   1
  1      0.1055000              1.0000000        
S   1
  1      0.0409000              1.0000000        
P   7
  1    504.9000000              0.233728D-02     
  2    119.4000000              0.185410D-01     
  3     37.9600000              0.849693D-01     
  4     13.9500000              0.244615D+00     
  5      5.4570000              0.422766D+00     
  6      2.1770000              0.368439D+00     
  7      0.2877000             -0.379005D-02     
P   7
  1    504.9000000             -0.555236D-03     
  2    119.4000000             -0.445913D-02     
  3     37.9600000             -0.206350D-01     
  4     13.9500000             -0.617694D-01     
  5      5.4570000             -0.108924D+00     
  6      2.1770000             -0.105599D+00     
  7      0.2877000              0.576981D+00     
P   1
  1      0.8010000              1.0000000        
P   1
  1      0.0971400              1.0000000        
P   1
  1      0.0307000              1.0000000        
D   1
  1      0.2160000              1.0000000        
D   1
  1      0.6520000              1.0000000        
D   1
  1      0.0775000              1.0000000        
F   1
  1      0.4520000              1.0000000        
F   1
  1      0.1650000              1.0000000


name: aug-cc-pVTZ
description: VTZ2PD Valence Triple Zeta + Polarization + Diffuse
elt: S
data:
SULFUR
S   13
  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      0.3490000              0.301306D-03     
S   13
  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      0.3490000             -0.918072D-02     
S   13
  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      0.3490000              0.714147D+00     
S   1
  1      0.7767000              1.0000000        
S   1
  1      0.1322000              1.0000000        
S   1
  1      0.0497000              1.0000000        
P   7
  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      0.3229000             -0.502977D-02     
P   7
  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      0.3229000              0.569394D+00     
P   1
  1      0.8688000              1.0000000        
P   1
  1      0.1098000              1.0000000        
P   1
  1      0.0351000              1.0000000        
D   1
  1      0.2690000              1.0000000        
D   1
  1      0.8190000              1.0000000        
D   1
  1      0.1010000              1.0000000        
F   1
  1      0.5570000              1.0000000        
F   1
  1      0.2180000              1.0000000


name: aug-cc-pVTZ
description: VTZ2PD Valence Triple Zeta + Polarization + Diffuse
elt: Cl
data:
CHLORINE
S   13
  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      0.4313000              0.156136D-03     
S   13
  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      0.4313000             -0.835091D-02     
S   13
  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      0.4313000              0.725661D+00     
S   1
  1      0.9768000              1.0000000        
S   1
  1      0.1625000              1.0000000        
S   1
  1      0.0591000              1.0000000        
P   7
  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      0.3818000             -0.458423D-02     
P   7
  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      0.3818000              0.564667D+00     
P   1
  1      1.0220000              1.0000000        
P   1
  1      0.1301000              1.0000000        
P   1
  1      0.0419000              1.0000000        
D   1
  1      1.0460000              1.0000000        
D   1
  1      0.3440000              1.0000000        
D   1
  1      0.1350000              1.0000000        
F   1
  1      0.7060000              1.0000000        
F   1
  1      0.3120000              1.0000000


name: aug-cc-pVTZ
description: VTZ2PD Valence Triple Zeta + Polarization + Diffuse
elt: Ar
data:
ARGON
S   13
  1 545000.0000000              0.455828D-04     
  2  81640.0000000              0.354108D-03     
  3  18580.0000000              0.185797D-02     
  4   5261.0000000              0.776851D-02     
  5   1717.0000000              0.274232D-01     
  6    619.9000000              0.823836D-01     
  7    241.6000000              0.201230D+00     
  8     99.7900000              0.356781D+00     
  9     43.1500000              0.349563D+00     
 10     19.1400000              0.118266D+00     
 11      7.4880000              0.560190D-02     
 12      3.2050000              0.483473D-03     
 13      0.5204000              0.292025D-04     
S   13
  1 545000.0000000             -0.129551D-04     
  2  81640.0000000             -0.100428D-03     
  3  18580.0000000             -0.529583D-03     
  4   5261.0000000             -0.221396D-02     
  5   1717.0000000             -0.796845D-02     
  6    619.9000000             -0.245803D-01     
  7    241.6000000             -0.657798D-01     
  8     99.7900000             -0.137942D+00     
  9     43.1500000             -0.201630D+00     
 10     19.1400000             -0.412834D-01     
 11      7.4880000              0.484680D+00     
 12      3.2050000              0.579224D+00     
 13      0.5204000             -0.727553D-02     
S   13
  1 545000.0000000              0.404990D-05     
  2  81640.0000000              0.313691D-04     
  3  18580.0000000              0.165646D-03     
  4   5261.0000000              0.691662D-03     
  5   1717.0000000              0.249790D-02     
  6    619.9000000              0.771074D-02     
  7    241.6000000              0.208714D-01     
  8     99.7900000              0.443965D-01     
  9     43.1500000              0.680224D-01     
 10     19.1400000              0.141350D-01     
 11      7.4880000             -0.207489D+00     
 12      3.2050000             -0.425045D+00     
 13      0.5204000              0.733627D+00     
S   1
  1      1.1960000              1.0000000        
S   1
  1      0.1954000              1.0000000        
S   1
  1      0.0685000              1.0000000        
P   7
  1    761.8000000              0.236976D-02     
  2    180.2000000              0.190199D-01     
  3     57.5000000              0.880807D-01     
  4     21.2400000              0.256377D+00     
  5      8.3880000              0.438711D+00     
  6      3.4160000              0.347569D+00     
  7      0.4523000             -0.523882D-02     
P   7
  1    761.8000000             -0.667211D-03     
  2    180.2000000             -0.532717D-02     
  3     57.5000000             -0.255494D-01     
  4     21.2400000             -0.757197D-01     
  5      8.3880000             -0.141133D+00     
  6      3.4160000             -0.932768D-01     
  7      0.4523000              0.562450D+00     
P   1
  1      1.2060000              1.0000000        
P   1
  1      0.1545000              1.0000000        
P   1
  1      0.0487000              1.0000000        
D   1
  1      0.4100000              1.0000000        
D   1
  1      1.2540000              1.0000000        
D   1
  1      0.1690000              1.0000000        
F   1
  1      0.8900000              1.0000000        
F   1
  1      0.4060000              1.0000000


name: aug-cc-pVTZ
description: VTZ2PD Valence Triple Zeta + Polarization + Diffuse
elt: Sc
data:
SCANDIUM
S   19
  1 2715278.0000000             8.147221E-06     
  2 406598.4000000              6.334788E-05     
  3  92530.0400000              0.0003330384     
  4  26207.9200000              0.001404055      
  5   8549.4290000              0.005081725      
  6   3085.9750000              0.01626926       
  7   1203.1720000              0.04624577       
  8    498.4869000              0.1137223        
  9    216.7360000              0.2257636        
 10     97.8747600              0.3106700        
 11     45.2043300              0.2191906        
 12     20.2118700              0.07215879       
 13      9.5747510              0.1187030        
 14      4.5403460              0.1220532        
 15      1.9956870              0.02136795       
 16      0.9422150             -0.0005357246     
 17      0.4178450              0.0002435774     
 18      0.0957610             -8.796617E-05     
 19      0.0513510              7.878246E-05     
S   19
  1 2715278.0000000            -4.722109E-06     
  2 406598.4000000             -3.671829E-05     
  3  92530.0400000             -0.0001930883     
  4  26207.9200000             -0.000814687      
  5   8549.4290000             -0.002955526      
  6   3085.9750000             -0.009520035      
  7   1203.1720000             -0.02746858       
  8    498.4869000             -0.06991528       
  9    216.7360000             -0.1499251        
 10     97.8747600             -0.2459153        
 11     45.2043300             -0.2401293        
 12     20.2118700              0.03567987       
 13      9.5747510              0.4915023        
 14      4.5403460              0.4911381        
 15      1.9956870              0.09120633       
 16      0.9422150             -0.005356723      
 17      0.4178450              0.0008812836     
 18      0.0957610             -0.0007605536     
 19      0.0513510              0.0006340116     
S   19
  1 2715278.0000000             9.139905E-07     
  2 406598.4000000              7.108513E-06     
  3  92530.0400000              3.738126E-05     
  4  26207.9200000              0.0001578828     
  5   8549.4290000              0.0005737686     
  6   3085.9750000              0.001859244      
  7   1203.1720000              0.005433182      
  8    498.4869000              0.01425387       
  9    216.7360000              0.03246144       
 10     97.8747600              0.06003454       
 11     45.2043300              0.06916105       
 12     20.2118700             -0.02113084       
 13      9.5747510             -0.2666832        
 14      4.5403460             -0.4367591        
 15      1.9956870              0.06498243       
 16      0.9422150              0.7009599        
 17      0.4178450              0.4515562        
 18      0.0957610              0.0301191        
 19      0.0513510             -0.0132948        
S   19
  1 2715278.0000000            -2.201951E-07     
  2 406598.4000000             -1.711419E-06     
  3  92530.0400000             -9.008469E-06     
  4  26207.9200000             -3.799997E-05     
  5   8549.4290000             -0.0001383227     
  6   3085.9750000             -0.0004473692     
  7   1203.1720000             -0.001310691      
  8    498.4869000             -0.00342986       
  9    216.7360000             -0.007847579      
 10     97.8747600             -0.01447189       
 11     45.2043300             -0.01690669       
 12     20.2118700              0.005396115      
 13      9.5747510              0.06671062       
 14      4.5403460              0.1178356        
 15      1.9956870             -0.02738134       
 16      0.9422150             -0.2260149        
 17      0.4178450             -0.3073539        
 18      0.0957610              0.2544054        
 19      0.0513510              0.5981590        
S   19
  1 2715278.0000000            -3.757238E-07     
  2 406598.4000000             -2.981907E-06     
  3  92530.0400000             -1.522586E-05     
  4  26207.9200000             -6.684686E-05     
  5   8549.4290000             -0.0002313129     
  6   3085.9750000             -0.0007959729     
  7   1203.1720000             -0.002161961      
  8    498.4869000             -0.006206459      
  9    216.7360000             -0.01261905       
 10     97.8747600             -0.02739459       
 11     45.2043300             -0.02336516       
 12     20.2118700             -0.005734627      
 13      9.5747510              0.1536025        
 14      4.5403460              0.1447100        
 15      1.9956870              0.09359699       
 16      0.9422150             -0.8687730        
 17      0.4178450              0.02114597       
 18      0.0957610              2.2754980        
 19      0.0513510             -1.1907700        
S   19
  1 2715278.0000000            -5.962768E-07     
  2 406598.4000000             -4.822853E-06     
  3  92530.0400000             -2.395005E-05     
  4  26207.9200000             -0.0001090335     
  5   8549.4290000             -0.0003601944     
  6   3085.9750000             -0.001311233      
  7   1203.1720000             -0.003322435      
  8    498.4869000             -0.0103752        
  9    216.7360000             -0.01892174       
 10     97.8747600             -0.04755287       
 11     45.2043300             -0.02931692       
 12     20.2118700             -0.03090088       
 13      9.5747510              0.3074597        
 14      4.5403460              0.1803100        
 15      1.9956870              0.2358178        
 16      0.9422150             -2.3885440        
 17      0.4178450              2.3294070        
 18      0.0957610              0.9918252        
 19      0.0513510             -3.5072400        
S   1
  1      0.0238780              1.0000000        
S   1
  1      1.110000E-02           1.0000000        
P   15
  1  10592.1900000              0.0000450        
  2   2507.5330000              0.0004010        
  3    814.4571000              0.0023020        
  4    311.5195000              0.0100370        
  5    131.9617000              0.0349540        
  6     59.9871800              0.0979090        
  7     28.6625000              0.2106800        
  8     14.1085100              0.3300930        
  9      7.1037060              0.3310270        
 10      3.6092000              0.1579600        
 11      1.7760700              0.0220990        
 12      0.8547600             -0.0016050        
 13      0.4022390             -0.0013260        
 14      0.1546650             -0.0002800        
 15      0.0649450              0.0000340        
P   15
  1  10592.1900000             -0.0000150        
  2   2507.5330000             -0.0001310        
  3    814.4571000             -0.0007570        
  4    311.5195000             -0.0033180        
  5    131.9617000             -0.0117060        
  6     59.9871800             -0.0336040        
  7     28.6625000             -0.0748790        
  8     14.1085100             -0.1225480        
  9      7.1037060             -0.1302760        
 10      3.6092000              0.0145960        
 11      1.7760700              0.3091840        
 12      0.8547600              0.4629980        
 13      0.4022390              0.3049570        
 14      0.1546650              0.0508780        
 15      0.0649450             -0.0044930        
P   15
  1  10592.1900000             -0.0000040        
  2   2507.5330000             -0.0000320        
  3    814.4571000             -0.0001850        
  4    311.5195000             -0.0008080        
  5    131.9617000             -0.0028700        
  6     59.9871800             -0.0082070        
  7     28.6625000             -0.0184730        
  8     14.1085100             -0.0301010        
  9      7.1037060             -0.0329430        
 10      3.6092000              0.0079580        
 11      1.7760700              0.0879930        
 12      0.8547600              0.1523770        
 13      0.4022390              0.0971700        
 14      0.1546650             -0.2569380        
 15      0.0649450             -0.5878150        
P   15
  1  10592.1900000              0.0000040        
  2   2507.5330000              0.0000390        
  3    814.4571000              0.0002210        
  4    311.5195000              0.0009840        
  5    131.9617000              0.0034230        
  6     59.9871800              0.0099930        
  7     28.6625000              0.0219160        
  8     14.1085100              0.0370080        
  9      7.1037060              0.0377940        
 10      3.6092000             -0.0043790        
 11      1.7760700             -0.1101640        
 12      0.8547600             -0.1610170        
 13      0.4022390             -0.1824820        
 14      0.1546650              0.3886110        
 15      0.0649450              0.6911000        
P   15
  1  10592.1900000              0.0000090        
  2   2507.5330000              0.0000740        
  3    814.4571000              0.0004790        
  4    311.5195000              0.0018690        
  5    131.9617000              0.0074240        
  6     59.9871800              0.0187630        
  7     28.6625000              0.0487170        
  8     14.1085100              0.0654400        
  9      7.1037060              0.1079480        
 10      3.6092000             -0.0587130        
 11      1.7760700             -0.1703060        
 12      0.8547600             -0.7549770        
 13      0.4022390              0.6201170        
 14      0.1546650              1.1675480        
 15      0.0649450             -1.0095310        
P   1
  1      0.0263590              1.0000000        
P   1
  1      1.066000E-02           1.0000000        
D   7
  1     50.5138000              0.0042660        
  2     14.7405000              0.0277080        
  3      5.1950000              0.1000010        
  4      2.0284600              0.2315810        
  5      0.8040860              0.3460330        
  6      0.3076890              0.3733740        
  7      0.1113920              0.2642880        
D   7
  1     50.5138000             -0.0043890        
  2     14.7405000             -0.0283630        
  3      5.1950000             -0.1051370        
  4      2.0284600             -0.2348540        
  5      0.8040860             -0.3246090        
  6      0.3076890             -0.0642890        
  7      0.1113920              0.6017490        
D   7
  1     50.5138000              0.0058590        
  2     14.7405000              0.0373230        
  3      5.1950000              0.1419240        
  4      2.0284600              0.3068960        
  5      0.8040860              0.3081890        
  6      0.3076890             -0.7607170        
  7      0.1113920             -0.2047750        
D   1
  1      0.0373520              1.0000000        
D   1
  1      1.244000E-02           1.0000000        
F   1
  1      0.7267000              1.0000000        
F   1
  1      0.1665000              1.0000000        
F   1
  1      4.063000E-02           1.0000000        
G   1
  1      0.4187000              1.0000000        
G   1
  1      9.473000E-02           1.0000000


name: aug-cc-pVTZ
description: VTZ2PD Valence Triple Zeta + Polarization + Diffuse
elt: Ti
data:
TITANIUM
S   19
  1 3014643.0000000             8.060782E-06     
  2 451432.9000000              6.267518E-05     
  3 102733.8000000              0.0003295006     
  4  29098.1700000              0.001389203      
  5   9492.3300000              0.005028469      
  6   3426.3460000              0.01610419       
  7   1335.8960000              0.04581232       
  8    553.5026000              0.1128613        
  9    240.6925000              0.2248193        
 10    108.7293000              0.3114571        
 11     50.2645700              0.2224995        
 12     22.5800400              0.07293128       
 13     10.7143200              0.1160683        
 14      5.0935460              0.1194774        
 15      2.2441830              0.02097868       
 16      1.0595700             -0.0005091715     
 17      0.4688490              0.0002217859     
 18      0.1061430             -7.636896E-05     
 19      0.0552620              7.719539E-05     
S   19
  1 3014643.0000000            -4.630486E-06     
  2 451432.9000000             -3.600451E-05     
  3 102733.8000000             -0.000189342      
  4  29098.1700000             -0.0007988781     
  5   9492.3300000             -0.002898698      
  6   3426.3460000             -0.009339701      
  7   1335.8960000             -0.02697464       
  8    553.5026000             -0.06878913       
  9    240.6925000             -0.1481037        
 10    108.7293000             -0.2445253        
 11     50.2645700             -0.2419916        
 12     22.5800400              0.0318379        
 13     10.7143200              0.4932686        
 14      5.0935460              0.4939655        
 15      2.2441830              0.09196313       
 16      1.0595700             -0.005316992      
 17      0.4688490              0.0008085624     
 18      0.1061430             -0.0006918459     
 19      0.0552620              0.0006086512     
S   19
  1 3014643.0000000             9.230559E-07     
  2 451432.9000000              7.178974E-06     
  3 102733.8000000              3.775134E-05     
  4  29098.1700000              0.0001594532     
  5   9492.3300000              0.000579515      
  6   3426.3460000              0.001878414      
  7   1335.8960000              0.005492747      
  8    553.5026000              0.01443297       
  9    240.6925000              0.03296408       
 10    108.7293000              0.06125493       
 11     50.2645700              0.07134113       
 12     22.5800400             -0.0197315        
 13     10.7143200             -0.2741869        
 14      5.0935460             -0.4440977        
 15      2.2441830              0.07776084       
 16      1.0595700              0.7068444        
 17      0.4688490              0.4413892        
 18      0.1061430              0.02799769       
 19      0.0552620             -0.0121079        
S   19
  1 3014643.0000000            -2.180323E-07     
  2 451432.9000000             -1.69486E-06      
  3 102733.8000000             -8.919208E-06     
  4  29098.1700000             -3.763633E-05     
  5   9492.3300000             -0.0001369575     
  6   3426.3460000             -0.0004432894     
  7   1335.8960000             -0.001298868      
  8    553.5026000             -0.003406752      
  9    240.6925000             -0.007810829      
 10    108.7293000             -0.01449245       
 11     50.2645700             -0.01708136       
 12     22.5800400              0.004897666      
 13     10.7143200              0.06753108       
 14      5.0935460              0.1173318        
 15      2.2441830             -0.02985025       
 16      1.0595700             -0.2277634        
 17      0.4688490             -0.2928115        
 18      0.1061430              0.2665300        
 19      0.0552620              0.5912406        
S   19
  1 3014643.0000000            -3.975126E-07     
  2 451432.9000000             -3.16108E-06      
  3 102733.8000000             -1.609375E-05     
  4  29098.1700000             -7.092947E-05     
  5   9492.3300000             -0.000244271      
  6   3426.3460000             -0.0008457892     
  7   1335.8960000             -0.002282208      
  8    553.5026000             -0.006619873      
  9    240.6925000             -0.01335024       
 10    108.7293000             -0.0295583        
 11     50.2645700             -0.02477039       
 12     22.5800400             -0.008414624      
 13     10.7143200              0.1693855        
 14      5.0935460              0.1500787        
 15      2.2441830              0.09787777       
 16      1.0595700             -0.9653608        
 17      0.4688490              0.1489721        
 18      0.1061430              2.1911790        
 19      0.0552620             -1.2433250        
S   19
  1 3014643.0000000            -6.302483E-07     
  2 451432.9000000             -5.084585E-06     
  3 102733.8000000             -2.534482E-05     
  4  29098.1700000             -0.000114826      
  5   9492.3300000             -0.0003817497     
  6   3426.3460000             -0.001379645      
  7   1335.8960000             -0.003531666      
  8    553.5026000             -0.01092225       
  9    240.6925000             -0.02029554       
 10    108.7293000             -0.05024404       
 11     50.2645700             -0.03316309       
 12     22.5800400             -0.03098063       
 13     10.7143200              0.3244673        
 14      5.0935460              0.2155689        
 15      2.2441830              0.1499616        
 16      1.0595700             -2.4207410        
 17      0.4688490              2.5308740        
 18      0.1061430              0.3423600        
 19      0.0552620             -2.7337220        
S   1
  1      0.0254650              1.0000000        
S   1
  1      0.0117300              1.0000000        
P   15
  1  11912.0300000              0.0000440        
  2   2819.9470000              0.0003910        
  3    915.9479000              0.0022480        
  4    350.3842000              0.0098230        
  5    148.4825000              0.0343380        
  6     67.5394400              0.0966660        
  7     32.3033200              0.2094170        
  8     15.9278600              0.3301890        
  9      8.0380350              0.3319360        
 10      4.0939160              0.1584880        
 11      2.0223900              0.0223100        
 12      0.9761020             -0.0015660        
 13      0.4595950             -0.0013240        
 14      0.1771520             -0.0002710        
 15      0.0735170              0.0000320        
P   15
  1  11912.0300000             -0.0000150        
  2   2819.9470000             -0.0001310        
  3    915.9479000             -0.0007550        
  4    350.3842000             -0.0033190        
  5    148.4825000             -0.0117500        
  6     67.5394400             -0.0339220        
  7     32.3033200             -0.0761640        
  8     15.9278600             -0.1257020        
  9      8.0380350             -0.1330980        
 10      4.0939160              0.0174060        
 11      2.0223900              0.3151650        
 12      0.9761020              0.4618140        
 13      0.4595950              0.2998560        
 14      0.1771520              0.0500000        
 15      0.0735170             -0.0042300        
P   15
  1  11912.0300000              0.0000040        
  2   2819.9470000              0.0000310        
  3    915.9479000              0.0001820        
  4    350.3842000              0.0007950        
  5    148.4825000              0.0028330        
  6     67.5394400              0.0081540        
  7     32.3033200              0.0184720        
  8     15.9278600              0.0304000        
  9      8.0380350              0.0330470        
 10      4.0939160             -0.0082510        
 11      2.0223900             -0.0885540        
 12      0.9761020             -0.1496120        
 13      0.4595950             -0.0942270        
 14      0.1771520              0.2508460        
 15      0.0735170              0.5866430        
P   15
  1  11912.0300000              0.0000040        
  2   2819.9470000              0.0000390        
  3    915.9479000              0.0002230        
  4    350.3842000              0.0009920        
  5    148.4825000              0.0034760        
  6     67.5394400              0.0101720        
  7     32.3033200              0.0225760        
  8     15.9278600              0.0382380        
  9      8.0380350              0.0393370        
 10      4.0939160             -0.0061060        
 11      2.0223900             -0.1129620        
 12      0.9761020             -0.1681140        
 13      0.4595950             -0.1659320        
 14      0.1771520              0.3914030        
 15      0.0735170              0.6818400        
P   15
  1  11912.0300000              0.0000090        
  2   2819.9470000              0.0000730        
  3    915.9479000              0.0004680        
  4    350.3842000              0.0018560        
  5    148.4825000              0.0072930        
  6     67.5394400              0.0188560        
  7     32.3033200              0.0484050        
  8     15.9278600              0.0673780        
  9      8.0380350              0.1045410        
 10      4.0939160             -0.0537600        
 11      2.0223900             -0.1917490        
 12      0.9761020             -0.6947200        
 13      0.4595950              0.5601620        
 14      0.1771520              1.1813360        
 15      0.0735170             -0.9932720        
P   1
  1      0.0294010              1.0000000        
P   1
  1      0.0117600              1.0000000        
D   7
  1     64.0130000              0.0038870        
  2     18.8179000              0.0263990        
  3      6.7287000              0.0975110        
  4      2.6641300              0.2328480        
  5      1.0786800              0.3531520        
  6      0.4232090              0.3721860        
  7      0.1559990              0.2476720        
D   7
  1     64.0130000             -0.0039700        
  2     18.8179000             -0.0268730        
  3      6.7287000             -0.1022750        
  4      2.6641300             -0.2377280        
  5      1.0786800             -0.3121140        
  6      0.4232090             -0.0423780        
  7      0.1559990              0.5886580        
D   7
  1     64.0130000              0.0064180        
  2     18.8179000              0.0438090        
  3      6.7287000              0.1723250        
  4      2.6641300              0.3753320        
  5      1.0786800              0.2249470        
  6      0.4232090             -0.7919070        
  7      0.1559990             -0.1044280        
D   1
  1      0.0518840              1.0000000        
D   1
  1      0.0172600              1.0000000        
F   1
  1      1.2483000              1.0000000        
F   1
  1      0.2836000              1.0000000        
F   1
  1      0.0826600              1.0000000        
G   1
  1      0.7251000              1.0000000        
G   1
  1      0.2114800              1.0000000


name: aug-cc-pVTZ
description: VTZ2PD Valence Triple Zeta + Polarization + Diffuse
elt: V
data:
VANADIUM
S   19
  1 3321857.0000000             8.039999E-06     
  2 497435.6000000              6.251402E-05     
  3 113202.7000000              0.0003286553     
  4  32063.3300000              0.001385697      
  5  10459.6200000              0.005016217      
  6   3775.5060000              0.01606931       
  7   1472.0400000              0.04574242       
  8    609.9331000              0.1128544        
  9    265.2634000              0.2254344        
 10    119.8607000              0.3140461        
 11     55.4489100              0.2267819        
 12     24.9837200              0.07334069       
 13     11.8805600              0.1102474        
 14      5.6603110              0.1131358        
 15      2.4957030              0.01971295       
 16      1.1778660             -0.0004719088     
 17      0.5200440              0.0001861606     
 18      0.1159650             -6.208598E-05     
 19      0.0589380              7.295314E-05     
S   19
  1 3321857.0000000            -4.503003E-06     
  2 497435.6000000             -3.501295E-05     
  3 113202.7000000             -0.0001841339     
  4  32063.3300000             -0.0007769216     
  5  10459.6200000             -0.002819505      
  6   3775.5060000             -0.009087486      
  7   1472.0400000             -0.02627134       
  8    609.9331000             -0.06712726       
  9    265.2634000             -0.1451130        
 10    119.8607000             -0.2412483        
 11     55.4489100             -0.2416314        
 12     24.9837200              0.03067362       
 13     11.8805600              0.4970415        
 14      5.6603110              0.4958875        
 15      2.4957030              0.09181868       
 16      1.1778660             -0.005392514      
 17      0.5200440              0.000710238      
 18      0.1159650             -0.0006363128     
 19      0.0589380              0.0005979932     
S   19
  1 3321857.0000000             9.320648E-07     
  2 497435.6000000              7.249306E-06     
  3 113202.7000000              3.811967E-05     
  4  32063.3300000              0.0001610238     
  5  10459.6200000              0.000585221      
  6   3775.5060000              0.001897502      
  7   1472.0400000              0.005550909      
  8    609.9331000              0.01460584       
  9    265.2634000              0.03342974       
 10    119.8607000              0.06235722       
 11     55.4489100              0.07312435       
 12     24.9837200             -0.01911472       
 13     11.8805600             -0.2817249        
 14      5.6603110             -0.4488151        
 15      2.4957030              0.09202696       
 16      1.1778660              0.7110117        
 17      0.5200440              0.4309274        
 18      0.1159650              0.02604589       
 19      0.0589380             -0.01101049       
S   19
  1 3321857.0000000            -2.158944E-07     
  2 497435.6000000             -1.678519E-06     
  3 113202.7000000             -8.831213E-06     
  4  32063.3300000             -3.727769E-05     
  5  10459.6200000             -0.0001356099     
  6   3775.5060000             -0.0004392351     
  7   1472.0400000             -0.001286948      
  8    609.9331000             -0.003382149      
  9    265.2634000             -0.007765646      
 10    119.8607000             -0.01447985       
 11     55.4489100             -0.01715502       
 12     24.9837200              0.004610101      
 13     11.8805600              0.06827831       
 14      5.6603110              0.1161368        
 15      2.4957030             -0.03277049       
 16      1.1778660             -0.2280000        
 17      0.5200440             -0.2793991        
 18      0.1159650              0.2771165        
 19      0.0589380              0.5852999        
S   19
  1 3321857.0000000            -4.093416E-07     
  2 497435.6000000             -3.258956E-06     
  3 113202.7000000             -1.65639E-05      
  4  32063.3300000             -7.316689E-05     
  5  10459.6200000             -0.0002512784     
  6   3775.5060000             -0.0008732657     
  7   1472.0400000             -0.002347654      
  8    609.9331000             -0.00685315       
  9    265.2634000             -0.0137642        
 10    119.8607000             -0.03084679       
 11     55.4489100             -0.02562208       
 12     24.9837200             -0.01005123       
 13     11.8805600              0.1795330        
 14      5.6603110              0.1522400        
 15      2.4957030              0.09483887       
 16      1.1778660             -1.0148760        
 17      0.5200440              0.2308810        
 18      0.1159650              2.1133210        
 19      0.0589380             -1.2530480        
S   19
  1 3321857.0000000            -6.539963E-07     
  2 497435.6000000             -5.267399E-06     
  3 113202.7000000             -2.632092E-05     
  4  32063.3300000             -0.0001188719     
  5  10459.6200000             -0.0003968552     
  6   3775.5060000             -0.00142746       
  7   1472.0400000             -0.003679181      
  8    609.9331000             -0.01130774       
  9    265.2634000             -0.02128221       
 10    119.8607000             -0.05218271       
 11     55.4489100             -0.03599014       
 12     24.9837200             -0.03088759       
 13     11.8805600              0.3380657        
 14      5.6603110              0.2389559        
 15      2.4957030              0.07609068       
 16      1.1778660             -2.4081130        
 17      0.5200440              2.6335920        
 18      0.1159650             -0.0535851        
 19      0.0589380             -2.2301350        
S   1
  1      0.0269460              1.0000000        
S   1
  1      0.0123200              1.0000000        
P   15
  1  13273.2000000              0.0000430        
  2   3142.1260000              0.0003840        
  3   1020.5880000              0.0022100        
  4    390.4407000              0.0096780        
  5    165.5043000              0.0339360        
  6     75.3200600              0.0959170        
  7     36.0550300              0.2088530        
  8     17.8043600              0.3306600        
  9      9.0029290              0.3323120        
 10      4.5945440              0.1581880        
 11      2.2767600              0.0222520        
 12      1.1011780             -0.0015650        
 13      0.5186380             -0.0013530        
 14      0.2005650             -0.0002650        
 15      0.0812910              0.0000290        
P   15
  1  13273.2000000             -0.0000150        
  2   3142.1260000             -0.0001310        
  3   1020.5880000             -0.0007550        
  4    390.4407000             -0.0033250        
  5    165.5043000             -0.0118110        
  6     75.3200600             -0.0342560        
  7     36.0550300             -0.0773630        
  8     17.8043600             -0.1284560        
  9      9.0029290             -0.1350780        
 10      4.5945440              0.0208380        
 11      2.2767600              0.3204990        
 12      1.1011780              0.4602600        
 13      0.5186380              0.2953460        
 14      0.2005650              0.0490460        
 15      0.0812910             -0.0038240        
P   15
  1  13273.2000000              0.0000040        
  2   3142.1260000              0.0000320        
  3   1020.5880000              0.0001830        
  4    390.4407000              0.0008020        
  5    165.5043000              0.0028620        
  6     75.3200600              0.0082870        
  7     36.0550300              0.0188700        
  8     17.8043600              0.0313070        
  9      9.0029290              0.0336600        
 10      4.5945440             -0.0094790        
 11      2.2767600             -0.0923130        
 12      1.1011780             -0.1489890        
 13      0.5186380             -0.0836440        
 14      0.2005650              0.2493390        
 15      0.0812910              0.5805150        
P   15
  1  13273.2000000              0.0000040        
  2   3142.1260000              0.0000390        
  3   1020.5880000              0.0002230        
  4    390.4407000              0.0009960        
  5    165.5043000              0.0034980        
  6     75.3200600              0.0102960        
  7     36.0550300              0.0229620        
  8     17.8043600              0.0392080        
  9      9.0029290              0.0399430        
 10      4.5945440             -0.0071210        
 11      2.2767600             -0.1162250        
 12      1.1011780             -0.1694960        
 13      0.5186380             -0.1553740        
 14      0.2005650              0.3950220        
 15      0.0812910              0.6789080        
P   15
  1  13273.2000000              0.0000090        
  2   3142.1260000              0.0000750        
  3   1020.5880000              0.0004790        
  4    390.4407000              0.0019060        
  5    165.5043000              0.0075120        
  6     75.3200600              0.0195300        
  7     36.0550300              0.0504020        
  8     17.8043600              0.0706850        
  9      9.0029290              0.1087750        
 10      4.5945440             -0.0585360        
 11      2.2767600             -0.2154480        
 12      1.1011780             -0.6773420        
 13      0.5186380              0.5859790        
 14      0.2005650              1.1291080        
 15      0.0812910             -0.9740510        
P   1
  1      0.0317950              1.0000000        
P   1
  1      0.0124400              1.0000000        
D   7
  1     77.6115000              0.0035950        
  2     22.9159000              0.0252100        
  3      8.2795400              0.0947860        
  4      3.3099300              0.2303630        
  5      1.3586300              0.3528940        
  6      0.5413500              0.3704140        
  7      0.2023560              0.2457180        
D   7
  1     77.6115000             -0.0038180        
  2     22.9159000             -0.0267170        
  3      8.2795400             -0.1036900        
  4      3.3099300             -0.2476890        
  5      1.3586300             -0.3115230        
  6      0.5413500             -0.0228270        
  7      0.2023560              0.5697260        
D   7
  1     77.6115000              0.0060010        
  2     22.9159000              0.0422060        
  3      8.2795400              0.1707510        
  4      3.3099300              0.3855180        
  5      1.3586300              0.2062040        
  6      0.5413500             -0.7786690        
  7      0.2023560             -0.1147210        
D   1
  1      0.0675680              1.0000000        
D   1
  1      0.0225600              1.0000000        
F   1
  1      1.7749000              1.0000000        
F   1
  1      0.4125000              1.0000000        
F   1
  1      0.1311200              1.0000000        
G   1
  1      1.1368000              1.0000000        
G   1
  1      0.3846500              1.0000000


name: aug-cc-pVTZ
description: VTZ2PD Valence Triple Zeta + Polarization + Diffuse
elt: Cr
data:
CHROMIUM
S   19
  1 6177194.0000000             4.128667E-06     
  2 924929.5000000              3.210767E-05     
  3 210486.5000000              0.0001688416     
  4  59620.0500000              0.000712852      
  5  19450.7600000              0.002589325      
  6   7022.0560000              0.00837735       
  7   2738.7630000              0.02441725       
  8   1135.8140000              0.06365135       
  9    495.0923000              0.1427618        
 10    224.7487000              0.2541275        
 11    105.3836000              0.3009512        
 12     50.1935900              0.1766513        
 13     22.2495700              0.06936709       
 14     10.9826500              0.1179579        
 15      5.3836650              0.08916187       
 16      2.3436850              0.0110363        
 17      1.1052020             -0.0003546048     
 18      0.4878480              0.0001057311     
 19      0.0895990              1.11464E-05      
S   19
  1 6177194.0000000            -2.301772E-06     
  2 924929.5000000             -1.789536E-05     
  3 210486.5000000             -9.416174E-05     
  4  59620.0500000             -0.0003975074     
  5  19450.7600000             -0.001447025      
  6   7022.0560000             -0.004694622      
  7   2738.7630000             -0.01382387       
  8   1135.8140000             -0.03674643       
  9    495.0923000             -0.08647185       
 10    224.7487000             -0.1696735        
 11    105.3836000             -0.2507089        
 12     50.1935900             -0.1961156        
 13     22.2495700              0.1457244        
 14     10.9826500              0.5466706        
 15      5.3836650              0.3979434        
 16      2.3436850              0.05277007       
 17      1.1052020             -0.004374537      
 18      0.4878480              0.0003204035     
 19      0.0895990             -5.142077E-05     
S   19
  1 6177194.0000000             4.862957E-07     
  2 924929.5000000              3.776645E-06     
  3 210486.5000000              1.990664E-05     
  4  59620.0500000              8.389164E-05     
  5  19450.7600000              0.0003065706     
  6   7022.0560000              0.0009944107     
  7   2738.7630000              0.002961959      
  8   1135.8140000              0.007969473      
  9    495.0923000              0.01955017       
 10    224.7487000              0.04085035       
 11    105.3836000              0.06929003       
 12     50.1935900              0.06146984       
 13     22.2495700             -0.06981302       
 14     10.9826500             -0.3517597        
 15      5.3836650             -0.3828629        
 16      2.3436850              0.2676401        
 17      1.1052020              0.7175950        
 18      0.4878480              0.3020814        
 19      0.0895990              0.007749514      
S   19
  1 6177194.0000000            -1.102451E-07     
  2 924929.5000000             -8.530233E-07     
  3 210486.5000000             -4.520358E-06     
  4  59620.0500000             -1.891612E-05     
  5  19450.7600000             -6.974344E-05     
  6   7022.0560000             -0.0002237867     
  7   2738.7630000             -0.0006754503     
  8   1135.8140000             -0.001789346      
  9    495.0923000             -0.004477858      
 10    224.7487000             -0.009140144      
 11    105.3836000             -0.01610562       
 12     50.1935900             -0.0133487        
 13     22.2495700              0.01426027       
 14     10.9826500              0.0893169        
 15      5.3836650              0.08885279       
 16      2.3436850             -0.06368776       
 17      1.1052020             -0.2783262        
 18      0.4878480             -0.1830071        
 19      0.0895990              0.6790937        
S   19
  1 6177194.0000000             2.179893E-07     
  2 924929.5000000              1.61294E-06      
  3 210486.5000000              9.111842E-06     
  4  59620.0500000              3.500645E-05     
  5  19450.7600000              0.0001435315     
  6   7022.0560000              0.0004035896     
  7   2738.7630000              0.001425177      
  8   1135.8140000              0.003114009      
  9    495.0923000              0.009814449      
 10    224.7487000              0.01474698       
 11    105.3836000              0.03911512       
 12     50.1935900              0.009170888      
 13     22.2495700              0.01559878       
 14     10.9826500             -0.2816844        
 15      5.3836650             -0.006895261      
 16      2.3436850             -0.1769781        
 17      1.1052020              1.4430610        
 18      0.4878480             -1.0293180        
 19      0.0895990             -1.3076670        
S   19
  1 6177194.0000000            -3.669010E-07     
  2 924929.5000000             -2.768353E-06     
  3 210486.5000000             -1.521014E-05     
  4  59620.0500000             -6.066288E-05     
  5  19450.7600000             -0.0002374959     
  6   7022.0560000             -0.0007077071     
  7   2738.7630000             -0.002334389      
  8   1135.8140000             -0.005555062      
  9    495.0923000             -0.01585142       
 10    224.7487000             -0.02737888       
 11    105.3836000             -0.06106975       
 12     50.1935900             -0.02887227       
 13     22.2495700              0.006813714      
 14     10.9826500              0.4327670        
 15      5.3836650              0.1968410        
 16      2.3436850             -0.3764657        
 17      1.1052020             -2.0524730        
 18      0.4878480              2.9757410        
 19      0.0895990             -2.2117050        
S   1
  1      0.0334230              1.0000000        
S   1
  1      0.0124700              1.0000000        
P   15
  1  14454.2000000              0.0000440        
  2   3421.6760000              0.0003890        
  3   1111.3870000              0.0022410        
  4    425.1918000              0.0098210        
  5    180.2623000              0.0344710        
  6     82.0611700              0.0974600        
  7     39.2972600              0.2119850        
  8     19.4195900              0.3339900        
  9      9.8288990              0.3301370        
 10      5.0168100              0.1522270        
 11      2.4870910              0.0204250        
 12      1.1987800             -0.0013600        
 13      0.5586950             -0.0011950        
 14      0.2089240             -0.0001970        
 15      0.0846080              0.0000230        
P   15
  1  14454.2000000             -0.0000150        
  2   3421.6760000             -0.0001350        
  3   1111.3870000             -0.0007770        
  4    425.1918000             -0.0034270        
  5    180.2623000             -0.0121890        
  6     82.0611700             -0.0353880        
  7     39.2972600             -0.0799150        
  8     19.4195900             -0.1323350        
  9      9.8288990             -0.1354010        
 10      5.0168100              0.0320080        
 11      2.4870910              0.3338490        
 12      1.1987800              0.4617730        
 13      0.5586950              0.2812900        
 14      0.2089240              0.0418430        
 15      0.0846080             -0.0040020        
P   15
  1  14454.2000000              0.0000040        
  2   3421.6760000              0.0000320        
  3   1111.3870000              0.0001850        
  4    425.1918000              0.0008100        
  5    180.2623000              0.0029060        
  6     82.0611700              0.0083910        
  7     39.2972600              0.0191930        
  8     19.4195900              0.0315640        
  9      9.8288990              0.0334170        
 10      5.0168100             -0.0129070        
 11      2.4870910             -0.0936590        
 12      1.1987800             -0.1499770        
 13      0.5586950             -0.0672340        
 14      0.2089240              0.2707590        
 15      0.0846080              0.5758070        
P   15
  1  14454.2000000              0.0000040        
  2   3421.6760000              0.0000400        
  3   1111.3870000              0.0002290        
  4    425.1918000              0.0010190        
  5    180.2623000              0.0036020        
  6     82.0611700              0.0105500        
  7     39.2972600              0.0237020        
  8     19.4195900              0.0399880        
  9      9.8288990              0.0404370        
 10      5.0168100             -0.0120740        
 11      2.4870910             -0.1189390        
 12      1.1987800             -0.1781000        
 13      0.5586950             -0.1238650        
 14      0.2089240              0.4297220        
 15      0.0846080              0.6507860        
P   15
  1  14454.2000000              0.0000100        
  2   3421.6760000              0.0000790        
  3   1111.3870000              0.0005120        
  4    425.1918000              0.0020230        
  5    180.2623000              0.0080550        
  6     82.0611700              0.0207720        
  7     39.2972600              0.0542240        
  8     19.4195900              0.0746850        
  9      9.8288990              0.1159890        
 10      5.0168100             -0.0765840        
 11      2.4870910             -0.2439310        
 12      1.1987800             -0.6801810        
 13      0.5586950              0.7336640        
 14      0.2089240              0.9991200        
 15      0.0846080             -1.0170810        
P   1
  1      0.0332580              1.0000000        
P   1
  1      0.0130700              1.0000000        
D   7
  1     88.5768000              0.0036210        
  2     26.2045000              0.0257660        
  3      9.5174700              0.0975560        
  4      3.8224800              0.2363120        
  5      1.5751200              0.3582860        
  6      0.6289280              0.3685430        
  7      0.2344240              0.2354940        
D   7
  1     88.5768000             -0.0041220        
  2     26.2045000             -0.0293070        
  3      9.5174700             -0.1150620        
  4      3.8224800             -0.2730680        
  5      1.5751200             -0.3144230        
  6      0.6289280              0.0420970        
  7      0.2344240              0.5914030        
D   7
  1     88.5768000              0.0059540        
  2     26.2045000              0.0425320        
  3      9.5174700              0.1745110        
  4      3.8224800              0.3939000        
  5      1.5751200              0.1492790        
  6      0.6289280             -0.8102450        
  7      0.2344240              0.0109110        
D   1
  1      0.0768150              1.0000000        
D   1
  1      0.0251700              1.0000000        
F   1
  1      2.2510000              1.0000000        
F   1
  1      0.5315000              1.0000000        
F   1
  1      0.1763600              1.0000000        
G   1
  1      1.4459000              1.0000000        
G   1
  1      0.5132900              1.0000000


name: aug-cc-pVTZ
description: VTZ2PD Valence Triple Zeta + Polarization + Diffuse
elt: Mn
data:
MANGANESE
S   19
  1 3960805.0000000             8.242127E-06     
  2 593115.5000000              6.408587E-05     
  3 134976.8000000              0.0003369253     
  4  38230.6700000              0.001420648      
  5  12471.5400000              0.005143683      
  6   4501.7430000              0.01648569       
  7   1755.2120000              0.0469856        
  8    727.3039000              0.1162437        
  9    316.3678000              0.2335277        
 10    143.0098000              0.3292837        
 11     66.2180500              0.2440304        
 12     29.9189600              0.07219806       
 13     14.3031800              0.07687806       
 14      6.8394510              0.07852235       
 15      3.0123740              0.01294109       
 16      1.4188080             -0.0003784873     
 17      0.6236240             -2.503203E-05     
 18      0.1340980             -2.421517E-05     
 19      0.0655480              3.462071E-05     
S   19
  1 3960805.0000000            -3.936095E-06     
  2 593115.5000000             -3.060481E-05     
  3 134976.8000000             -0.0001609626     
  4  38230.6700000             -0.0006792348     
  5  12471.5400000             -0.002466182      
  6   4501.7430000             -0.007957629      
  7   1755.2120000             -0.02307248       
  8    727.3039000             -0.05932956       
  9    316.3678000             -0.1299451        
 10    143.0098000             -0.2212352        
 11     66.2180500             -0.2292550        
 12     29.9189600              0.03580733       
 13     14.3031800              0.5107602        
 14      6.8394510              0.5008307        
 15      3.0123740              0.0901183        
 16      1.4188080             -0.006909909      
 17      0.6236240             -0.0001912925     
 18      0.1340980             -0.0006032312     
 19      0.0655480              0.0005621608     
S   19
  1 3960805.0000000             9.462709E-07     
  2 593115.5000000              7.360584E-06     
  3 134976.8000000              3.869935E-05     
  4  38230.6700000              0.000163511      
  5  12471.5400000              0.0005941775     
  6   4501.7430000              0.001927737      
  7   1755.2120000              0.005641731      
  8    727.3039000              0.01487848       
  9    316.3678000              0.03414783       
 10    143.0098000              0.06405794       
 11     66.2180500              0.07557659       
 12     29.9189600             -0.0194607        
 13     14.3031800             -0.2957874        
 14      6.8394510             -0.4521170        
 15      3.0123740              0.1224531        
 16      1.4188080              0.7169756        
 17      0.6236240              0.4092712        
 18      0.1340980              0.02221969       
 19      0.0655480             -0.009011202      
S   19
  1 3960805.0000000            -2.095391E-07     
  2 593115.5000000             -1.629439E-06     
  3 134976.8000000             -8.570592E-06     
  4  38230.6700000             -3.619272E-05     
  5  12471.5400000             -0.0001316146     
  6   4501.7430000             -0.000426681      
  7   1755.2120000             -0.00125027       
  8    727.3039000             -0.003294665      
  9    316.3678000             -0.00758186       
 10    143.0098000             -0.01422864       
 11     66.2180500             -0.01693796       
 12     29.9189600              0.004454298      
 13     14.3031800              0.06867042       
 14      6.8394510              0.1113335        
 15      3.0123740             -0.0390082        
 16      1.4188080             -0.2215755        
 17      0.6236240             -0.2544359        
 18      0.1340980              0.2865866        
 19      0.0655480              0.5755741        
S   19
  1 3960805.0000000            -4.121231E-07     
  2 593115.5000000             -3.282099E-06     
  3 134976.8000000             -1.667433E-05     
  4  38230.6700000             -7.369999E-05     
  5  12471.5400000             -0.0002529495     
  6   4501.7430000             -0.0008801425     
  7   1755.2120000             -0.002365482      
  8    727.3039000             -0.006926354      
  9    316.3678000             -0.01393851       
 10    143.0098000             -0.0314384        
 11     66.2180500             -0.02625749       
 12     29.9189600             -0.01048313       
 13     14.3031800              0.1856472        
 14      6.8394510              0.1524839        
 15      3.0123740              0.07411368       
 16      1.4188080             -1.0180970        
 17      0.6236240              0.2980372        
 18      0.1340980              1.9719890        
 19      0.0655480             -1.1792530        
S   19
  1 3960805.0000000            -6.805493E-07     
  2 593115.5000000             -5.460516E-06     
  3 134976.8000000             -2.743893E-05     
  4  38230.6700000             -0.0001230291     
  5  12471.5400000             -0.0004146269     
  6   4501.7430000             -0.001475151      
  7   1755.2120000             -0.00385914       
  8    727.3039000             -0.01168405       
  9    316.3678000             -0.02257185       
 10    143.0098000             -0.05399759       
 11     66.2180500             -0.04032351       
 12     29.9189600             -0.02742526       
 13     14.3031800              0.3485593        
 14      6.8394510              0.2757818        
 15      3.0123740             -0.05499812       
 16      1.4188080             -2.2925450        
 17      0.6236240              2.6356440        
 18      0.1340980             -0.3379113        
 19      0.0655480             -1.7896070        
S   1
  1      0.0295840              1.0000000        
S   1
  1      0.0133500              1.0000000        
P   15
  1  16205.8600000              0.0000420        
  2   3836.2740000              0.0003730        
  3   1246.0480000              0.0021490        
  4    476.7535000              0.0094450        
  5    202.1895000              0.0332970        
  6     92.0948700              0.0947590        
  7     44.1472000              0.2081440        
  8     21.8546800              0.3318050        
  9     11.0859600              0.3331750        
 10      5.6741080              0.1576010        
 11      2.8231700              0.0214450        
 12      1.3686210             -0.0025580        
 13      0.6444310             -0.0020270        
 14      0.2483820             -0.0003600        
 15      0.0972550              0.0000340        
P   15
  1  16205.8600000             -0.0000150        
  2   3836.2740000             -0.0001290        
  3   1246.0480000             -0.0007480        
  4    476.7535000             -0.0033080        
  5    202.1895000             -0.0118110        
  6     92.0948700             -0.0345330        
  7     44.1472000             -0.0787850        
  8     21.8546800             -0.1321830        
  9     11.0859600             -0.1371950        
 10      5.6741080              0.0270750        
 11      2.8231700              0.3288910        
 12      1.3686210              0.4572800        
 13      0.6444310              0.2889080        
 14      0.2483820              0.0474330        
 15      0.0972550             -0.0035220        
P   15
  1  16205.8600000              0.0000030        
  2   3836.2740000              0.0000300        
  3   1246.0480000              0.0001720        
  4    476.7535000              0.0007620        
  5    202.1895000              0.0027260        
  6     92.0948700              0.0079760        
  7     44.1472000              0.0182870        
  8     21.8546800              0.0307760        
  9     11.0859600              0.0323730        
 10      5.6741080             -0.0099780        
 11      2.8231700             -0.0905290        
 12      1.3686210             -0.1380040        
 13      0.6444310             -0.0779650        
 14      0.2483820              0.2295600        
 15      0.0972550              0.5761220        
P   15
  1  16205.8600000              0.0000040        
  2   3836.2740000              0.0000400        
  3   1246.0480000              0.0002260        
  4    476.7535000              0.0010130        
  5    202.1895000              0.0035750        
  6     92.0948700              0.0106120        
  7     44.1472000              0.0239020        
  8     21.8546800              0.0412790        
  9     11.0859600              0.0414750        
 10      5.6741080             -0.0094580        
 11      2.8231700             -0.1236950        
 12      1.3686210             -0.1743920        
 13      0.6444310             -0.1291700        
 14      0.2483820              0.4003480        
 15      0.0972550              0.6696460        
P   15
  1  16205.8600000              0.0000100        
  2   3836.2740000              0.0000810        
  3   1246.0480000              0.0005120        
  4    476.7535000              0.0020710        
  5    202.1895000              0.0081110        
  6     92.0948700              0.0215570        
  7     44.1472000              0.0553160        
  8     21.8546800              0.0802630        
  9     11.0859600              0.1177300        
 10      5.6741080             -0.0650690        
 11      2.8231700             -0.2829140        
 12      1.3686210             -0.6491660        
 13      0.6444310              0.6925670        
 14      0.2483820              0.9789900        
 15      0.0972550             -0.9213570        
P   1
  1      0.0366330              1.0000000        
P   1
  1      0.0138000              1.0000000        
D   7
  1    100.6630000              0.0035790        
  2     29.8336000              0.0258270        
  3     10.8894000              0.0985590        
  4      4.3935800              0.2383270        
  5      1.8178200              0.3587070        
  6      0.7278270              0.3650920        
  7      0.2712950              0.2337380        
D   7
  1    100.6630000             -0.0034540        
  2     29.8336000             -0.0249250        
  3     10.8894000             -0.0976350        
  4      4.3935800             -0.2366920        
  5      1.8178200             -0.2923500        
  6      0.7278270             -0.0049730        
  7      0.2712950              0.5065880        
D   7
  1    100.6630000              0.0056850        
  2     29.8336000              0.0411710        
  3     10.8894000              0.1693220        
  4      4.3935800              0.3859120        
  5      1.8178200              0.1869090        
  6      0.7278270             -0.6781130        
  7      0.2712950             -0.2582600        
D   1
  1      0.0883090              1.0000000        
D   1
  1      0.0287500              1.0000000        
F   1
  1      2.7382000              1.0000000        
F   1
  1      0.6543000              1.0000000        
F   1
  1      0.2226000              1.0000000        
G   1
  1      1.7335000              1.0000000        
G   1
  1      0.6321300              1.0000000


name: aug-cc-pVTZ
description: VTZ2PD Valence Triple Zeta + Polarization + Diffuse
elt: Fe
data:
IRON
S   19
  1 4316265.0000000             8.048803E-06     
  2 646342.4000000              6.258306E-05     
  3 147089.7000000              0.0003290239     
  4  41661.5200000              0.001387355      
  5  13590.7700000              0.005023256      
  6   4905.7500000              0.0161014        
  7   1912.7460000              0.04590034       
  8    792.6043000              0.1136154        
  9    344.8065000              0.2283869        
 10    155.8999000              0.3221159        
 11     72.2309100              0.2383661        
 12     32.7250600              0.07404667       
 13     15.6676200              0.09214197       
 14      7.5034830              0.0933979        
 15      3.3122230              0.01573965       
 16      1.5584710             -0.0004186682     
 17      0.6839140              5.376318E-05     
 18      0.1467570             -3.816654E-05     
 19      0.0705830              4.319603E-05     
S   19
  1 4316265.0000000            -4.155954E-06     
  2 646342.4000000             -3.231401E-05     
  3 147089.7000000             -0.0001699525     
  4  41661.5200000             -0.0007171369     
  5  13590.7700000             -0.002603625      
  6   4905.7500000             -0.008399109      
  7   1912.7460000             -0.02434109       
  8    792.6043000             -0.06251948       
  9    344.8065000             -0.1365929        
 10    155.8999000             -0.2312707        
 11     72.2309100             -0.2383734        
 12     32.7250600              0.03123837       
 13     15.6676200              0.5086818        
 14      7.5034830              0.4987695        
 15      3.3122230              0.09033552       
 16      1.5584710             -0.006005337      
 17      0.6839140              0.0002312454     
 18      0.1467570             -0.000564368      
 19      0.0705830              0.000499226      
S   19
  1 4316265.0000000             9.532178E-07     
  2 646342.4000000              7.414605E-06     
  3 147089.7000000              3.898393E-05     
  4  41661.5200000              0.0001647152     
  5  13590.7700000              0.000598598      
  6   4905.7500000              0.00194239       
  7   1912.7460000              0.005687237      
  8    792.6043000              0.01501329       
  9    344.8065000              0.03452455       
 10    155.8999000              0.0649582        
 11     72.2309100              0.07716194       
 12     32.7250600             -0.01873411       
 13     15.6676200             -0.3009185        
 14      7.5034830             -0.4554661        
 15      3.3122230              0.1286463        
 16      1.5584710              0.7183316        
 17      0.6839140              0.4051743        
 18      0.1467570              0.02168227       
 19      0.0705830             -0.008343566      
S   19
  1 4316265.0000000            -2.063008E-07     
  2 646342.4000000             -1.604169E-06     
  3 147089.7000000             -8.438437E-06     
  4  41661.5200000             -3.563151E-05     
  5  13590.7700000             -0.0001295998     
  6   4905.7500000             -0.0004201534     
  7   1912.7460000             -0.001231954      
  8    792.6043000             -0.003248922      
  9    344.8065000             -0.007493717      
 10    155.8999000             -0.01410102       
 11     72.2309100             -0.0169160        
 12     32.7250600              0.004218996      
 13     15.6676200              0.0683381        
 14      7.5034830              0.1098201        
 15      3.3122230             -0.04009005       
 16      1.5584710             -0.2174739        
 17      0.6839140             -0.2465135        
 18      0.1467570              0.2731435        
 19      0.0705830              0.5748321        
S   19
  1 4316265.0000000            -4.009367E-07     
  2 646342.4000000             -3.189255E-06     
  3 147089.7000000             -1.623079E-05     
  4  41661.5200000             -7.15792E-05      
  5  13590.7700000             -0.0002463958     
  6   4905.7500000             -0.0008544907     
  7   1912.7460000             -0.002307593      
  8    792.6043000             -0.006728292      
  9    344.8065000             -0.01366165       
 10    155.8999000             -0.0306224        
 11     72.2309100             -0.02631137       
 12     32.7250600             -0.009760183      
 13     15.6676200              0.1801906        
 14      7.5034830              0.1529634        
 15      3.3122230              0.05505413       
 16      1.5584710             -0.9551364        
 17      0.6839140              0.2586813        
 18      0.1467570              1.8340490        
 19      0.0705830             -0.9333240        
S   19
  1 4316265.0000000            -6.966042E-07     
  2 646342.4000000             -5.568036E-06     
  3 147089.7000000             -2.813684E-05     
  4  41661.5200000             -0.0001252418     
  5  13590.7700000             -0.0004260787     
  6   4905.7500000             -0.00149906       
  7   1912.7460000             -0.003979103      
  8    792.6043000             -0.01185686       
  9    344.8065000             -0.02346734       
 10    155.8999000             -0.05467736       
 11     72.2309100             -0.0439382        
 12     32.7250600             -0.02376103       
 13     15.6676200              0.3435928        
 14      7.5034830              0.3192960        
 15      3.3122230             -0.1343207        
 16      1.5584710             -2.2210200        
 17      0.6839140              2.5711420        
 18      0.1467570             -0.2292404        
 19      0.0705830             -1.8324520        
S   1
  1      0.0314490              1.0000000        
S   1
  1      0.0140100              1.0000000        
P   15
  1  17745.6900000              0.0000410        
  2   4200.7210000              0.0003690        
  3   1364.4290000              0.0021290        
  4    522.0806000              0.0093690        
  5    221.4595000              0.0330970        
  6    100.9096000              0.0944310        
  7     48.4011500              0.2080770        
  8     23.9853600              0.3323330        
  9     12.1825000              0.3329870        
 10      6.2422980              0.1568430        
 11      3.1109440              0.0215490        
 12      1.5099580             -0.0020950        
 13      0.7108450             -0.0017390        
 14      0.2731900             -0.0003000        
 15      0.1042330              0.0000290        
P   15
  1  17745.6900000             -0.0000150        
  2   4200.7210000             -0.0001300        
  3   1364.4290000             -0.0007510        
  4    522.0806000             -0.0033290        
  5    221.4595000             -0.0119120        
  6    100.9096000             -0.0349330        
  7     48.4011500             -0.0799890        
  8     23.9853600             -0.1346360        
  9     12.1825000             -0.1385980        
 10      6.2422980              0.0302780        
 11      3.1109440              0.3332160        
 12      1.5099580              0.4561530        
 13      0.7108450              0.2850510        
 14      0.2731900              0.0461440        
 15      0.1042330             -0.0032490        
P   15
  1  17745.6900000              0.0000030        
  2   4200.7210000              0.0000290        
  3   1364.4290000              0.0001650        
  4    522.0806000              0.0007340        
  5    221.4595000              0.0026260        
  6    100.9096000              0.0077250        
  7     48.4011500              0.0177330        
  8     23.9853600              0.0300550        
  9     12.1825000              0.0310940        
 10      6.2422980             -0.0100480        
 11      3.1109440             -0.0883060        
 12      1.5099580             -0.1298240        
 13      0.7108450             -0.0769370        
 14      0.2731900              0.2126610        
 15      0.1042330              0.5730610        
P   15
  1  17745.6900000              0.0000050        
  2   4200.7210000              0.0000420        
  3   1364.4290000              0.0002410        
  4    522.0806000              0.0010850        
  5    221.4595000              0.0038310        
  6    100.9096000              0.0114230        
  7     48.4011500              0.0257920        
  8     23.9853600              0.0448180        
  9     12.1825000              0.0445980        
 10      6.2422980             -0.0111770        
 11      3.1109440             -0.1381340        
 12      1.5099580             -0.1882850        
 13      0.7108450             -0.1073990        
 14      0.2731900              0.4448630        
 15      0.1042330              0.6402390        
P   15
  1  17745.6900000              0.0000110        
  2   4200.7210000              0.0000870        
  3   1364.4290000              0.0005410        
  4    522.0806000              0.0022260        
  5    221.4595000              0.0085930        
  6    100.9096000              0.0233390        
  7     48.4011500              0.0588440        
  8     23.9853600              0.0882890        
  9     12.1825000              0.1231920        
 10      6.2422980             -0.0631860        
 11      3.1109440             -0.3549020        
 12      1.5099580             -0.6197080        
 13      0.7108450              0.8129860        
 14      0.2731900              0.8191180        
 15      0.1042330             -0.9017050        
P   1
  1      0.0382910              1.0000000        
P   1
  1      0.0140700              1.0000000        
D   7
  1    113.3440000              0.0035300        
  2     33.6414000              0.0257840        
  3     12.3310000              0.0991190        
  4      4.9947800              0.2390730        
  5      2.0728000              0.3571990        
  6      0.8307530              0.3621880        
  7      0.3091780              0.2364610        
D   7
  1    113.3440000             -0.0038900        
  2     33.6414000             -0.0284420        
  3     12.3310000             -0.1124290        
  4      4.9947800             -0.2742570        
  5      2.0728000             -0.3155460        
  6      0.8307530              0.0571090        
  7      0.3091780              0.5636040        
D   7
  1    113.3440000              0.0056950        
  2     33.6414000              0.0420010        
  3     12.3310000              0.1735400        
  4      4.9947800              0.4101570        
  5      2.0728000              0.1132520        
  6      0.8307530             -0.7696800        
  7      0.3091780             -0.0316430        
D   1
  1      0.1001300              1.0000000        
D   1
  1      0.0324300              1.0000000        
F   1
  1      3.2758000              1.0000000        
F   1
  1      0.7920000              1.0000000        
F   1
  1      0.2749000              1.0000000        
G   1
  1      2.0897000              1.0000000        
G   1
  1      0.7871600              1.0000000


name: aug-cc-pVTZ
description: VTZ2PD Valence Triple Zeta + Polarization + Diffuse
elt: Co
data:
COBALT
S   19
  1 4675675.0000000             7.979026E-06     
  2 700161.5000000              6.204071E-05     
  3 159337.3000000              0.0003261735     
  4  45130.4600000              0.00137536       
  5  14722.3800000              0.004979997      
  6   5314.2220000              0.01596434       
  7   2072.0180000              0.04552086       
  8    858.6188000              0.1127385        
  9    373.5497000              0.2268262        
 10    168.9229000              0.3203074        
 11     78.2963900              0.2374021        
 12     35.5212300              0.07477686       
 13     17.0414400              0.09581872       
 14      8.1730000              0.09649911       
 15      3.6103180              0.01623362       
 16      1.6970470             -0.0004535497     
 17      0.7435320              5.113519E-05     
 18      0.1583440             -4.174508E-05     
 19      0.0750360              4.027577E-05     
S   19
  1 4675675.0000000            -4.20024E-06      
  2 700161.5000000             -3.265831E-05     
  3 159337.3000000             -0.0001717644     
  4  45130.4600000             -0.0007247853     
  5  14722.3800000             -0.002631462      
  6   5314.2220000             -0.008489272      
  7   2072.0180000             -0.02460619       
  8    858.6188000             -0.06322059       
  9    373.5497000             -0.1381957        
 10    168.9229000             -0.2340680        
 11     78.2963900             -0.2415002        
 12     35.5212300              0.03035312       
 13     17.0414400              0.5101341        
 14      8.1730000              0.4974939        
 15      3.6103180              0.08970746       
 16      1.6970470             -0.005941034      
 17      0.7435320              0.0002175362     
 18      0.1583440             -0.0005480155     
 19      0.0750360              0.0004525804     
S   19
  1 4675675.0000000             9.592692E-07     
  2 700161.5000000              7.461851E-06     
  3 159337.3000000              3.923137E-05     
  4  45130.4600000              0.0001657706     
  5  14722.3800000              0.0006024335     
  6   5314.2220000              0.001955217      
  7   2072.0180000              0.005726326      
  8    858.6188000              0.01512984       
  9    373.5497000              0.03483973       
 10    168.9229000              0.06570351       
 11     78.2963900              0.07831503       
 12     35.5212300             -0.01877037       
 13     17.0414400             -0.3062663        
 14      8.1730000             -0.4566429        
 15      3.6103180              0.1378169        
 16      1.6970470              0.7193676        
 17      0.7435320              0.3992579        
 18      0.1583440              0.02079933       
 19      0.0750360             -0.007820663      
S   19
  1 4675675.0000000            -2.02884E-07      
  2 700161.5000000             -1.57758E-06      
  3 159337.3000000             -8.298813E-06     
  4  45130.4600000             -3.504154E-05     
  5  14722.3800000             -0.0001274655     
  6   5314.2220000             -0.0004132695     
  7   2072.0180000             -0.001212261      
  8    858.6188000             -0.003199318      
  9    373.5497000             -0.007390972      
 10    168.9229000             -0.01393649       
 11     78.2963900             -0.01678575       
 12     35.5212300              0.004149856      
 13     17.0414400              0.06797646       
 14      8.1730000              0.1075807        
 15      3.6103180             -0.04166022       
 16      1.6970470             -0.2128044        
 17      0.7435320             -0.2381360        
 18      0.1583440              0.2650788        
 19      0.0750360              0.5722774        
S   19
  1 4675675.0000000            -3.863053E-07     
  2 700161.5000000             -3.068788E-06     
  3 159337.3000000             -1.564826E-05     
  4  45130.4600000             -6.883588E-05     
  5  14722.3800000             -0.0002377367     
  6   5314.2220000             -0.0008213173     
  7   2072.0180000             -0.00222963       
  8    858.6188000             -0.006467841      
  9    373.5497000             -0.01325463       
 10    168.9229000             -0.02946686       
 11     78.2963900             -0.02599066       
 12     35.5212300             -0.008499807      
 13     17.0414400              0.1727316        
 14      8.1730000              0.1512189        
 15      3.6103180              0.03554509       
 16      1.6970470             -0.8829353        
 17      0.7435320              0.2143530        
 18      0.1583440              1.7118650        
 19      0.0750360             -0.7140037        
S   19
  1 4675675.0000000            -7.174687E-07     
  2 700161.5000000             -5.722157E-06     
  3 159337.3000000             -2.90097E-05      
  4  45130.4600000             -0.0001285845     
  5  14722.3800000             -0.0004398434     
  6   5314.2220000             -0.001537586      
  7   2072.0180000             -0.004116022      
  8    858.6188000             -0.01215514       
  9    373.5497000             -0.02440441       
 10    168.9229000             -0.05601976       
 11     78.2963900             -0.04689449       
 12     35.5212300             -0.02168828       
 13     17.0414400              0.3477789        
 14      8.1730000              0.3500597        
 15      3.6103180             -0.2048551        
 16      1.6970470             -2.1632110        
 17      0.7435320              2.5240910        
 18      0.1583440             -0.1590011        
 19      0.0750360             -1.8252670        
S   1
  1      0.0330910              1.0000000        
S   1
  1      0.0145900              1.0000000        
P   15
  1  19267.7800000              0.0000410        
  2   4560.9860000              0.0003690        
  3   1481.4360000              0.0021280        
  4    566.8671000              0.0093720        
  5    240.4910000              0.0331550        
  6    109.6105000              0.0947520        
  7     52.5949100              0.2090930        
  8     26.0836100              0.3337220        
  9     13.2614300              0.3322080        
 10      6.7997780              0.1546130        
 11      3.3934140              0.0209020        
 12      1.6487660             -0.0020240        
 13      0.7762820             -0.0016970        
 14      0.2980030             -0.0002800        
 15      0.1136180              0.0000260        
P   15
  1  19267.7800000             -0.0000150        
  2   4560.9860000             -0.0001310        
  3   1481.4360000             -0.0007580        
  4    566.8671000             -0.0033630        
  5    240.4910000             -0.0120540        
  6    109.6105000             -0.0354240        
  7     52.5949100             -0.0812870        
  8     26.0836100             -0.1369080        
  9     13.2614300             -0.1390190        
 10      6.7997780              0.0354680        
 11      3.3934140              0.3384980        
 12      1.6487660              0.4544330        
 13      0.7762820              0.2797930        
 14      0.2980030              0.0447760        
 15      0.1136180             -0.0031510        
P   15
  1  19267.7800000             -0.0000030        
  2   4560.9860000             -0.0000290        
  3   1481.4360000             -0.0001670        
  4    566.8671000             -0.0007420        
  5    240.4910000             -0.0026620        
  6    109.6105000             -0.0078410        
  7     52.5949100             -0.0180510        
  8     26.0836100             -0.0305800        
  9     13.2614300             -0.0313120        
 10      6.7997780              0.0113110        
 11      3.3934140              0.0899900        
 12      1.6487660              0.1307330        
 13      0.7762820              0.0718080        
 14      0.2980030             -0.2216580        
 15      0.1136180             -0.5710250        
P   15
  1  19267.7800000              0.0000050        
  2   4560.9860000              0.0000450        
  3   1481.4360000              0.0002550        
  4    566.8671000              0.0011440        
  5    240.4910000              0.0040610        
  6    109.6105000              0.0120950        
  7     52.5949100              0.0274760        
  8     26.0836100              0.0475570        
  9     13.2614300              0.0473020        
 10      6.7997780             -0.0144180        
 11      3.3934140             -0.1500620        
 12      1.6487660             -0.1990920        
 13      0.7762820             -0.0797830        
 14      0.2980030              0.4590350        
 15      0.1136180              0.6174950        
P   15
  1  19267.7800000              0.0000110        
  2   4560.9860000              0.0000920        
  3   1481.4360000              0.0005630        
  4    566.8671000              0.0023540        
  5    240.4910000              0.0089760        
  6    109.6105000              0.0248100        
  7     52.5949100              0.0615800        
  8     26.0836100              0.0947770        
  9     13.2614300              0.1266930        
 10      6.7997780             -0.0637540        
 11      3.3934140             -0.4185660        
 12      1.6487660             -0.5678650        
 13      0.7762820              0.8754060        
 14      0.2980030              0.7182630        
 15      0.1136180             -0.8747220        
P   1
  1      0.0416240              1.0000000        
P   1
  1      0.0152500              1.0000000        
D   7
  1    126.2640000              0.0035100        
  2     37.5226000              0.0258840        
  3     13.8021000              0.1000580        
  4      5.6092700              0.2405470        
  5      2.3336900              0.3568430        
  6      0.9364150              0.3595790        
  7      0.3482370              0.2366290        
D   7
  1    126.2640000             -0.0040670        
  2     37.5226000             -0.0300530        
  3     13.8021000             -0.1196200        
  4      5.6092700             -0.2915130        
  5      2.3336900             -0.3180480        
  6      0.9364150              0.0916980        
  7      0.3482370              0.5608230        
D   7
  1    126.2640000              0.0054700        
  2     37.5226000              0.0408130        
  3     13.8021000              0.1689780        
  4      5.6092700              0.4093590        
  5      2.3336900              0.0863160        
  6      0.9364150             -0.7690080        
  7      0.3482370              0.0033550        
D   1
  1      0.1123530              1.0000000        
D   1
  1      0.0362500              1.0000000        
F   1
  1      3.8137000              1.0000000        
F   1
  1      0.9309000              1.0000000        
F   1
  1      0.3271500              1.0000000        
G   1
  1      2.4709000              1.0000000        
G   1
  1      0.9581400              1.0000000


name: aug-cc-pVTZ
description: VTZ2PD Valence Triple Zeta + Polarization + Diffuse
elt: Ni
data:
NICKEL
S   19
  1 5045991.0000000             8.208996E-06     
  2 755614.2000000              6.382884E-05     
  3 171956.8000000              0.00033558       
  4  48704.7900000              0.001415075      
  5  15888.4100000              0.005124444      
  6   5735.1230000              0.01643256       
  7   2236.1370000              0.04689398       
  8    926.6468000              0.1163534        
  9    403.1743000              0.2350511        
 10    182.3476000              0.3350184        
 11     84.5488500              0.2534779        
 12     38.3963400              0.07300901       
 13     18.4585900              0.06184244       
 14      8.8635480              0.06302956       
 15      3.9162270              0.01008063       
 16      1.8388700             -0.0002244528     
 17      0.8043620             -5.932767E-05     
 18      0.1697970             -1.158562E-05     
 19      0.0793060              8.115109E-06     
S   19
  1 5045991.0000000            -3.657849E-06     
  2 755614.2000000             -2.844094E-05     
  3 171956.8000000             -0.0001495928     
  4  48704.7900000             -0.0006313009     
  5  15888.4100000             -0.002293052      
  6   5735.1230000             -0.007405123      
  7   2236.1370000             -0.02152032       
  8    926.6468000             -0.05560974       
  9    403.1743000             -0.1230176        
 10    182.3476000             -0.2130104        
 11     84.5488500             -0.2265837        
 12     38.3963400              0.03546796       
 13     18.4585900              0.5181697        
 14      8.8635480              0.5025630        
 15      3.9162270              0.08955674       
 16      1.8388700             -0.007031311      
 17      0.8043620             -0.0004339167     
 18      0.1697970             -0.0005831711     
 19      0.0793060              0.0004228788     
S   19
  1 5045991.0000000             9.594149E-07     
  2 755614.2000000              7.462614E-06     
  3 171956.8000000              3.923843E-05     
  4  48704.7900000              0.0001657868     
  5  15888.4100000              0.0006025905     
  6   5735.1230000              0.001955662      
  7   2236.1370000              0.005730391      
  8    926.6468000              0.01514756       
  9    403.1743000              0.03493499       
 10    182.3476000              0.06598072       
 11     84.5488500              0.07893083       
 12     38.3963400             -0.01906249       
 13     18.4585900             -0.3095921        
 14      8.8635480             -0.4558610        
 15      3.9162270              0.1482931        
 16      1.8388700              0.7134039        
 17      0.8043620              0.3976063        
 18      0.1697970              0.02295523       
 19      0.0793060             -0.009151758      
S   19
  1 5045991.0000000            -2.013753E-07     
  2 755614.2000000             -1.565832E-06     
  3 171956.8000000             -8.237182E-06     
  4  48704.7900000             -3.478105E-05     
  5  15888.4100000             -0.0001265265     
  6   5735.1230000             -0.0004102589     
  7   2236.1370000             -0.001203834      
  8    926.6468000             -0.003179062      
  9    403.1743000             -0.007353828      
 10    182.3476000             -0.01389022       
 11     84.5488500             -0.01677875       
 12     38.3963400              0.004163378      
 13     18.4585900              0.06814703       
 14      8.8635480              0.1061029        
 15      3.9162270             -0.0433998        
 16      1.8388700             -0.2094950        
 17      0.8043620             -0.2310271        
 18      0.1697970              0.2590532        
 19      0.0793060              0.5691426        
S   19
  1 5045991.0000000            -3.924245E-07     
  2 755614.2000000             -3.113909E-06     
  3 171956.8000000             -1.590447E-05     
  4  48704.7900000             -6.981394E-05     
  5  15888.4100000             -0.0002417848     
  6   5735.1230000             -0.0008326195     
  7   2236.1370000             -0.002270294      
  8    926.6468000             -0.006557427      
  9    403.1743000             -0.01354288       
 10    182.3476000             -0.02989768       
 11     84.5488500             -0.02693106       
 12     38.3963400             -0.007827693      
 13     18.4585900              0.1741667        
 14      8.8635480              0.1595468        
 15      3.9162270              0.0199555        
 16      1.8388700             -0.8897000        
 17      0.8043620              0.2486892        
 18      0.1697970              1.6130120        
 19      0.0793060             -0.5990277        
S   19
  1 5045991.0000000            -7.303633E-07     
  2 755614.2000000             -5.802013E-06     
  3 171956.8000000             -2.958547E-05     
  4  48704.7900000             -0.0001301499     
  5  15888.4100000             -0.0004495332     
  6   5735.1230000             -0.001553314      
  7   2236.1370000             -0.004219884      
  8    926.6468000             -0.01225419       
  9    403.1743000             -0.02519707       
 10    182.3476000             -0.05621717       
 11     84.5488500             -0.05022229       
 12     38.3963400             -0.01677412       
 13     18.4585900              0.3388021        
 14      8.8635480              0.3984975        
 15      3.9162270             -0.3032053        
 16      1.8388700             -2.0796190        
 17      0.8043620              2.5005420        
 18      0.1697970             -0.2169002        
 19      0.0793060             -1.7091780        
S   1
  1      0.0346770              1.0000000        
S   1
  1      0.0151600              1.0000000        
P   15
  1  21027.9200000              0.0000410        
  2   4977.5600000              0.0003630        
  3   1616.7400000              0.0020970        
  4    618.6718000              0.0092500        
  5    262.5183000              0.0327960        
  6    119.6907000              0.0940040        
  7     57.4658500              0.2082800        
  8     28.5282900              0.3336540        
  9     14.5214800              0.3329040        
 10      7.4538500              0.1553720        
 11      3.7235530              0.0208590        
 12      1.8098130             -0.0024400        
 13      0.8513360             -0.0019980        
 14      0.3248140             -0.0003380        
 15      0.1195220              0.0000350        
P   15
  1  21027.9200000             -0.0000150        
  2   4977.5600000             -0.0001290        
  3   1616.7400000             -0.0007490        
  4    618.6718000             -0.0033280        
  5    262.5183000             -0.0119470        
  6    119.6907000             -0.0352420        
  7     57.4658500             -0.0812040        
  8     28.5282900             -0.1374930        
  9     14.5214800             -0.1392260        
 10      7.4538500              0.0360160        
 11      3.7235530              0.3391280        
 12      1.8098130              0.4504720        
 13      0.8513360              0.2817830        
 14      0.3248140              0.0478980        
 15      0.1195220             -0.0029870        
P   15
  1  21027.9200000              0.0000030        
  2   4977.5600000              0.0000260        
  3   1616.7400000              0.0001520        
  4    618.6718000              0.0006780        
  5    262.5183000              0.0024270        
  6    119.6907000              0.0072010        
  7     57.4658500              0.0165780        
  8     28.5282900              0.0283920        
  9     14.5214800              0.0285990        
 10      7.4538500             -0.0101320        
 11      3.7235530             -0.0829120        
 12      1.8098130             -0.1159980        
 13      0.8513360             -0.0727950        
 14      0.3248140              0.1956400        
 15      0.1195220              0.5670990        
P   15
  1  21027.9200000              0.0000060        
  2   4977.5600000              0.0000530        
  3   1616.7400000              0.0003050        
  4    618.6718000              0.0013640        
  5    262.5183000              0.0048760        
  6    119.6907000              0.0145030        
  7     57.4658500              0.0332960        
  8     28.5282900              0.0574820        
  9     14.5214800              0.0587020        
 10      7.4538500             -0.0199040        
 11      3.7235530             -0.1946950        
 12      1.8098130             -0.2396130        
 13      0.8513360             -0.0022320        
 14      0.3248140              0.5214350        
 15      0.1195220              0.5455400        
P   15
  1  21027.9200000              0.0000110        
  2   4977.5600000              0.0000950        
  3   1616.7400000              0.0005800        
  4    618.6718000              0.0024510        
  5    262.5183000              0.0092820        
  6    119.6907000              0.0260090        
  7     57.4658500              0.0640960        
  8     28.5282900              0.1007100        
  9     14.5214800              0.1325390        
 10      7.4538500             -0.0650890        
 11      3.7235530             -0.4897560        
 12      1.8098130             -0.4984550        
 13      0.8513360              0.9663570        
 14      0.3248140              0.5283790        
 15      0.1195220             -0.8676760        
P   1
  1      0.0423660              1.0000000        
P   1
  1      0.0150200              1.0000000        
D   7
  1    140.2527000              0.0033760        
  2     41.7261000              0.0251410        
  3     15.3981000              0.0977460        
  4      6.2771000              0.2347090        
  5      2.6185000              0.3469450        
  6      1.0526000              0.3510680        
  7      0.3916000              0.2502550        
D   7
  1    140.2527000             -0.0034950        
  2     41.7261000             -0.0260150        
  3     15.3981000             -0.1038760        
  4      6.2771000             -0.2520700        
  5      2.6185000             -0.2945800        
  6      1.0526000              0.0011520        
  7      0.3916000              0.4385890        
D   7
  1    140.2527000              0.0050520        
  2     41.7261000              0.0380870        
  3     15.3981000              0.1561130        
  4      6.2771000              0.3861560        
  5      2.6185000              0.1756050        
  6      1.0526000             -0.6268070        
  7      0.3916000             -0.3427750        
D   1
  1      0.1262000              1.0000000        
D   1
  1      0.0406700              1.0000000        
F   1
  1      4.5046000              1.0000000        
F   1
  1      1.1286000              1.0000000        
F   1
  1      0.4083000              1.0000000        
G   1
  1      2.9771000              1.0000000        
G   1
  1      1.2048500              1.0000000


name: aug-cc-pVTZ
description: VTZ2PD Valence Triple Zeta + Polarization + Diffuse
elt: Cu
data:
COPPER
S   19
  1 5430321.0000000             7.801026E-06     
  2 813166.5000000              6.065666E-05     
  3 185054.4000000              0.0003188964     
  4  52414.6600000              0.001344687      
  5  17098.6800000              0.00486905       
  6   6171.9940000              0.01561013       
  7   2406.4810000              0.04452077       
  8    997.2584000              0.1103111        
  9    433.9289000              0.2220342        
 10    196.2869000              0.3133739        
 11     91.0428000              0.2315121        
 12     41.3842500              0.0764092        
 13     19.9327800              0.1103818        
 14      9.5818910              0.1094372        
 15      4.2345160              0.01836311       
 16      1.9858140             -0.0006043084     
 17      0.8670830              5.092245E-05     
 18      0.1813390             -5.54073E-05      
 19      0.0836570              3.969482E-05     
S   19
  1 5430321.0000000            -4.404706E-06     
  2 813166.5000000             -3.424801E-05     
  3 185054.4000000             -0.0001801238     
  4  52414.6600000             -0.0007600455     
  5  17098.6800000             -0.002759348      
  6   6171.9940000             -0.00890097       
  7   2406.4810000             -0.02579378       
  8    997.2584000             -0.06623861       
  9    433.9289000             -0.1445927        
 10    196.2869000             -0.2440110        
 11     91.0428000             -0.2504837        
 12     41.3842500              0.02852577       
 13     19.9327800              0.5115874        
 14      9.5818910              0.4928061        
 15      4.2345160              0.08788437       
 16      1.9858140             -0.005820281      
 17      0.8670830              0.0002013508     
 18      0.1813390             -0.0005182553     
 19      0.0836570              0.0003731503     
S   19
  1 5430321.0000000             9.704682E-07     
  2 813166.5000000              7.549245E-06     
  3 185054.4000000              3.968892E-05     
  4  52414.6600000              0.00016772       
  5  17098.6800000              0.0006095101     
  6   6171.9940000              0.001978846      
  7   2406.4810000              0.005798049      
  8    997.2584000              0.01534158       
  9    433.9289000              0.03540484       
 10    196.2869000              0.06702098       
 11     91.0428000              0.08026945       
 12     41.3842500             -0.01927231       
 13     19.9327800             -0.3160129        
 14      9.5818910             -0.4573162        
 15      4.2345160              0.1550841        
 16      1.9858140              0.7202872        
 17      0.8670830              0.3885122        
 18      0.1813390              0.01924326       
 19      0.0836570             -0.007103807      
S   19
  1 5430321.0000000            -1.959354E-07     
  2 813166.5000000             -1.523472E-06     
  3 185054.4000000             -8.014808E-06     
  4  52414.6600000             -3.383992E-05     
  5  17098.6800000             -0.0001231191     
  6   6171.9940000             -0.0003992085     
  7   2406.4810000             -0.0011719        
  8    997.2584000             -0.003096141      
  9    433.9289000             -0.007171993      
 10    196.2869000             -0.01356621       
 11     91.0428000             -0.01643989       
 12     41.3842500              0.004107628      
 13     19.9327800              0.06693964       
 14      9.5818910              0.1028221        
 15      4.2345160             -0.04422945       
 16      1.9858140             -0.2031191        
 17      0.8670830             -0.2230022        
 18      0.1813390              0.2517975        
 19      0.0836570              0.5650091        
S   19
  1 5430321.0000000            -3.532229E-07     
  2 813166.5000000             -2.798812E-06     
  3 185054.4000000             -1.432517E-05     
  4  52414.6600000             -6.270946E-05     
  5  17098.6800000             -0.000217949      
  6   6171.9940000             -0.0007474316     
  7   2406.4810000             -0.002049271      
  8    997.2584000             -0.005885203      
  9    433.9289000             -0.01226885       
 10    196.2869000             -0.02683147       
 11     91.0428000             -0.02479261       
 12     41.3842500             -0.005984746      
 13     19.9327800              0.1557124        
 14      9.5818910              0.1436683        
 15      4.2345160              0.008374103      
 16      1.9858140             -0.7460711        
 17      0.8670830              0.1244367        
 18      0.1813390              1.5101100        
 19      0.0836570             -0.3477122        
S   19
  1 5430321.0000000            -7.508267E-07     
  2 813166.5000000             -5.972018E-06     
  3 185054.4000000             -3.039682E-05     
  4  52414.6600000             -0.0001340405     
  5  17098.6800000             -0.0004615778     
  6   6171.9940000             -0.001601064      
  7   2406.4810000             -0.004330942      
  8    997.2584000             -0.01265434       
  9    433.9289000             -0.02586864       
 10    196.2869000             -0.05835428       
 11     91.0428000             -0.05132322       
 12     41.3842500             -0.01908953       
 13     19.9327800              0.3586116        
 14      9.5818910              0.3885818        
 15      4.2345160             -0.3057106        
 16      1.9858140             -2.0698960        
 17      0.8670830              2.4317740        
 18      0.1813390             -0.02121974       
 19      0.0836570             -1.8202510        
S   1
  1      0.0362670              1.0000000        
S   1
  1      0.0157200              1.0000000        
P   15
  1  22760.5700000              0.0000400        
  2   5387.6790000              0.0003610        
  3   1749.9450000              0.0020830        
  4    669.6653000              0.0091970        
  5    284.1948000              0.0326600        
  6    129.6077000              0.0937950        
  7     62.2541500              0.2082740        
  8     30.9296400              0.3339930        
  9     15.7582700              0.3324930        
 10      8.0942110              0.1547280        
 11      4.0469210              0.0212710        
 12      1.9678690             -0.0016900        
 13      0.9252950             -0.0015160        
 14      0.3529920             -0.0002420        
 15      0.1273070              0.0000230        
P   15
  1  22760.5700000             -0.0000150        
  2   5387.6790000             -0.0001310        
  3   1749.9450000             -0.0007550        
  4    669.6653000             -0.0033590        
  5    284.1948000             -0.0120810        
  6    129.6077000             -0.0357030        
  7     62.2541500             -0.0825020        
  8     30.9296400             -0.1398900        
  9     15.7582700             -0.1407290        
 10      8.0942110              0.0387660        
 11      4.0469210              0.3426950        
 12      1.9678690              0.4523100        
 13      0.9252950              0.2770540        
 14      0.3529920              0.0438850        
 15      0.1273070             -0.0028020        
P   15
  1  22760.5700000              0.0000030        
  2   5387.6790000              0.0000250        
  3   1749.9450000              0.0001470        
  4    669.6653000              0.0006560        
  5    284.1948000              0.0023510        
  6    129.6077000              0.0070040        
  7     62.2541500              0.0161310        
  8     30.9296400              0.0277700        
  9     15.7582700              0.0275670        
 10      8.0942110             -0.0101150        
 11      4.0469210             -0.0810090        
 12      1.9678690             -0.1104090        
 13      0.9252950             -0.0717320        
 14      0.3529920              0.1879300        
 15      0.1273070              0.5646290        
P   15
  1  22760.5700000              0.0000050        
  2   5387.6790000              0.0000490        
  3   1749.9450000              0.0002780        
  4    669.6653000              0.0012530        
  5    284.1948000              0.0044470        
  6    129.6077000              0.0133700        
  7     62.2541500              0.0304690        
  8     30.9296400              0.0534470        
  9     15.7582700              0.0526390        
 10      8.0942110             -0.0168810        
 11      4.0469210             -0.1794480        
 12      1.9678690             -0.2095880        
 13      0.9252950             -0.0396330        
 14      0.3529920              0.5021300        
 15      0.1273070              0.5811110        
P   15
  1  22760.5700000              0.0000110        
  2   5387.6790000              0.0000960        
  3   1749.9450000              0.0005900        
  4    669.6653000              0.0024840        
  5    284.1948000              0.0094630        
  6    129.6077000              0.0264530        
  7     62.2541500              0.0656890        
  8     30.9296400              0.1027320        
  9     15.7582700              0.1370410        
 10      8.0942110             -0.0709610        
 11      4.0469210             -0.5047080        
 12      1.9678690             -0.4780560        
 13      0.9252950              0.9428920        
 14      0.3529920              0.5446990        
 15      0.1273070             -0.8327660        
P   1
  1      0.0443560              1.0000000        
P   1
  1      0.0154500              1.0000000        
D   7
  1    173.8970000              0.0027000        
  2     51.8869000              0.0209090        
  3     19.3419000              0.0844080        
  4      7.9757200              0.2139990        
  5      3.3982300              0.3359800        
  6      1.4093200              0.3573010        
  7      0.5488580              0.2645780        
D   7
  1    173.8970000             -0.0033630        
  2     51.8869000             -0.0260790        
  3     19.3419000             -0.1082310        
  4      7.9757200             -0.2822170        
  5      3.3982300             -0.3471900        
  6      1.4093200              0.0267110        
  7      0.5488580              0.4920470        
D   7
  1    173.8970000              0.0041330        
  2     51.8869000              0.0330850        
  3     19.3419000              0.1383360        
  4      7.9757200              0.3901660        
  5      3.3982300              0.1698420        
  6      1.4093200             -0.6830180        
  7      0.5488580             -0.2657970        
D   1
  1      0.1901990              1.0000000        
D   1
  1      0.0659100              1.0000000        
F   1
  1      5.0821000              1.0000000        
F   1
  1      1.2797000              1.0000000        
F   1
  1      0.4617200              1.0000000        
G   1
  1      3.4835000              1.0000000        
G   1
  1      1.4597900              1.0000000


name: aug-cc-pVTZ
description: VTZ2PD Valence Triple Zeta + Polarization + Diffuse
elt: Zn
data:
ZINC
S   19
  1 5820021.0000000             8.549241E-06     
  2 871523.4000000              6.64741E-05      
  3 198335.0000000              0.0003494962     
  4  56176.3100000              0.001473832      
  5  18325.8200000              0.00533833       
  6   6614.9550000              0.01712708       
  7   2579.1990000              0.04894085       
  8   1068.8490000              0.1217934        
  9    465.1045000              0.2476589        
 10    210.4130000              0.3582431        
 11     97.6162900              0.2798174        
 12     44.3802000              0.06857491       
 13     21.4230800             -0.001311092      
 14     10.3089100              0.001914001      
 15      4.5536450             -0.000875922      
 16      2.1328210              0.0003740096     
 17      0.9296970             -0.0001401399     
 18      0.1921470              4.757132E-05     
 19      0.0875950             -3.642711E-05     
S   19
  1 5820021.0000000            -2.640069E-06     
  2 871523.4000000             -2.05272E-05      
  3 198335.0000000             -0.0001079859     
  4  56176.3100000             -0.0004558577     
  5  18325.8200000             -0.001657758      
  6   6614.9550000             -0.005368492      
  7   2579.1990000             -0.01571249       
  8   1068.8490000             -0.04122558       
  9    465.1045000             -0.09406459       
 10    210.4130000             -0.1719954        
 11     97.6162900             -0.1958523        
 12     44.3802000              0.04532907       
 13     21.4230800              0.5244442        
 14     10.3089100              0.5006142        
 15      4.5536450              0.08945527       
 16      2.1328210             -0.002146262      
 17      0.9296970              0.002112113      
 18      0.1921470             -0.000413398      
 19      0.0875950              0.0003209752     
S   19
  1 5820021.0000000             9.967103E-07     
  2 871523.4000000              7.754163E-06     
  3 198335.0000000              4.076019E-05     
  4  56176.3100000              0.0001722811     
  5  18325.8200000              0.000625937      
  6   6614.9550000              0.002032855      
  7   2579.1990000              0.005954646      
  8   1068.8490000              0.0157664        
  9    465.1045000              0.03637638       
 10    210.4130000              0.06892343       
 11     97.6162900              0.08238093       
 12     44.3802000             -0.0201136        
 13     21.4230800             -0.3252526        
 14     10.3089100             -0.4602899        
 15      4.5536450              0.1635546        
 16      2.1328210              0.7297118        
 17      0.9296970              0.3769751        
 18      0.1921470              0.01433224       
 19      0.0875950             -0.00667121       
S   19
  1 5820021.0000000             1.995818E-07     
  2 871523.4000000              1.552973E-06     
  3 198335.0000000              8.161259E-06     
  4  56176.3100000              3.450747E-05     
  5  18325.8200000              0.0001253275     
  6   6614.9550000              0.000407299      
  7   2579.1990000              0.001192734      
  8   1068.8490000              0.00316314       
  9    465.1045000              0.007303942      
 10    210.4130000              0.01391279       
 11     97.6162900              0.0167062        
 12     44.3802000             -0.004035586      
 13     21.4230800             -0.06968861       
 14     10.3089100             -0.1030105        
 15      4.5536450              0.04471442       
 16      2.1328210              0.2150027        
 17      0.9296970              0.2220163        
 18      0.1921470             -0.3114776        
 19      0.0875950             -0.5693429        
S   19
  1 5820021.0000000            -5.43591E-07      
  2 871523.4000000             -4.336894E-06     
  3 198335.0000000             -2.197572E-05     
  4  56176.3100000             -9.747392E-05     
  5  18325.8200000             -0.0003331615     
  6   6614.9550000             -0.001166192      
  7   2579.1990000             -0.003119308      
  8   1068.8490000             -0.009239504      
  9    465.1045000             -0.01855471       
 10    210.4130000             -0.04281189       
 11     97.6162900             -0.03571095       
 12     44.3802000             -0.0163835        
 13     21.4230800              0.2644664        
 14     10.3089100              0.2086588        
 15      4.5536450             -0.01774382       
 16      2.1328210             -1.3538730        
 17      0.9296970              0.8182926        
 18      0.1921470              1.6950360        
 19      0.0875950             -1.3886560        
S   19
  1 5820021.0000000             8.040791E-07     
  2 871523.4000000              6.282936E-06     
  3 198335.0000000              3.281868E-05     
  4  56176.3100000              0.0001398858     
  5  18325.8200000              0.0005029836     
  6   6614.9550000              0.001655419      
  7   2579.1990000              0.004778677      
  8   1068.8490000              0.01292479       
  9    465.1045000              0.02925831       
 10    210.4130000              0.05791816       
 11     97.6162900              0.06640681       
 12     44.3802000             -0.007388966      
 13     21.4230800             -0.3329989        
 14     10.3089100             -0.5917865        
 15      4.5536450              0.9011406        
 16      2.1328210              1.5859510        
 17      0.9296970             -2.7880080        
 18      0.1921470              2.0718840        
 19      0.0875950             -0.6012025        
S   1
  1      0.0377020              1.0000000        
S   1
  1      0.0162300              1.0000000        
P   15
  1  24411.9800000              0.0000410        
  2   5778.5180000              0.0003610        
  3   1876.8620000              0.0020880        
  4    718.2361000              0.0092210        
  5    304.8327000              0.0327730        
  6    139.0453000              0.0941790        
  7     66.8041700              0.2091320        
  8     33.2069900              0.3345690        
  9     16.9281600              0.3303590        
 10      8.6962290              0.1523470        
 11      4.3505100              0.0229840        
 12      2.1165230              0.0016070        
 13      0.9953870              0.0004680        
 14      0.3781120              0.0000660        
 15      0.1345790             -0.0000020        
P   15
  1  24411.9800000             -0.0000150        
  2   5778.5180000             -0.0001350        
  3   1876.8620000             -0.0007820        
  4    718.2361000             -0.0034780        
  5    304.8327000             -0.0125200        
  6    139.0453000             -0.0370160        
  7     66.8041700             -0.0855590        
  8     33.2069900             -0.1447180        
  9     16.9281600             -0.1434420        
 10      8.6962290              0.0435950        
 11      4.3505100              0.3488880        
 12      2.1165230              0.4538650        
 13      0.9953870              0.2685940        
 14      0.3781120              0.0388680        
 15      0.1345790             -0.0024920        
P   15
  1  24411.9800000              0.0000030        
  2   5778.5180000              0.0000250        
  3   1876.8620000              0.0001440        
  4    718.2361000              0.0006450        
  5    304.8327000              0.0023110        
  6    139.0453000              0.0068980        
  7     66.8041700              0.0158820        
  8     33.2069900              0.0273500        
  9     16.9281600              0.0266210        
 10      8.6962290             -0.0108580        
 11      4.3505100             -0.0798530        
 12      2.1165230             -0.1061270        
 13      0.9953870             -0.0688830        
 14      0.3781120              0.1843850        
 15      0.1345790              0.5617880        
P   15
  1  24411.9800000              0.0000050        
  2   5778.5180000              0.0000420        
  3   1876.8620000              0.0002380        
  4    718.2361000              0.0010880        
  5    304.8327000              0.0038210        
  6    139.0453000              0.0116440        
  7     66.8041700              0.0261670        
  8     33.2069900              0.0467500        
  9     16.9281600              0.0433090        
 10      8.6962290             -0.0134290        
 11      4.3505100             -0.1538970        
 12      2.1165230             -0.1674130        
 13      0.9953870             -0.0849950        
 14      0.3781120              0.4508130        
 15      0.1345790              0.6408690        
P   15
  1  24411.9800000              0.0000120        
  2   5778.5180000              0.0000960        
  3   1876.8620000              0.0005940        
  4    718.2361000              0.0024840        
  5    304.8327000              0.0095370        
  6    139.0453000              0.0264790        
  7     66.8041700              0.0663660        
  8     33.2069900              0.1024580        
  9     16.9281600              0.1386830        
 10      8.6962290             -0.0801400        
 11      4.3505100             -0.4960690        
 12      2.1165230             -0.4635100        
 13      0.9953870              0.8745310        
 14      0.3781120              0.6297900        
 15      0.1345790             -0.8116860        
P   1
  1      0.0462820              1.0000000        
P   1
  1      0.0159200              1.0000000        
D   7
  1    205.6177000              0.0023420        
  2     61.4498100              0.0186060        
  3     23.0568900              0.0771020        
  4      9.5777390              0.2020260        
  5      4.1337340              0.3294540        
  6      1.7475180              0.3609760        
  7      0.6995600              0.2716570        
D   7
  1    205.6177000              0.0032790        
  2     61.4498100              0.0261760        
  3     23.0568900              0.1113670        
  4      9.5777390              0.3045810        
  5      4.1337340              0.3862990        
  6      1.7475180             -0.0583750        
  7      0.6995600             -0.5388760        
D   7
  1    205.6177000              0.0037400        
  2     61.4498100              0.0318250        
  3     23.0568900              0.1322290        
  4      9.5777390              0.4245500        
  5      4.1337340              0.1203700        
  6      1.7475180             -0.7626610        
  7      0.6995600             -0.1128230        
D   1
  1      0.2516080              1.0000000        
D   1
  1      0.0904900              1.0000000        
F   1
  1      5.7922000              1.0000000        
F   1
  1      1.4851000              1.0000000        
F   1
  1      0.5486100              1.0000000        
G   1
  1      4.1144000              1.0000000        
G   1
  1      1.8293300              1.0000000


name: aug-cc-pVTZ
description: VTZ2PD Valence Triple Zeta + Polarization + Diffuse
elt: Ga
data:
GALLIUM
S   18
  1 6558157.3000000             0.0000080        
  2 982025.3400000              0.0000622        
  3 223467.6900000              0.0003270        
  4  63288.2910000              0.0013794        
  5  20642.9400000              0.0049993        
  6   7450.5224000              0.0160605        
  7   2905.0744000              0.0460124        
  8   1204.2100000              0.1152224        
  9    524.3045400              0.2373921        
 10    237.4656300              0.3531989        
 11    110.5786600              0.2915500        
 12     51.3746240              0.0812129        
 13     24.4408460              0.0007655        
 14     11.7685910              0.0016124        
 15      5.3421190             -0.0007530        
 16      2.4950360              0.0003134        
 17      1.0987730             -0.0001306        
 18      0.2601800              0.0000513        
S   18
  1 6558157.3000000            -0.0000025        
  2 982025.3400000             -0.0000193        
  3 223467.6900000             -0.0001014        
  4  63288.2910000             -0.0004281        
  5  20642.9400000             -0.0015582        
  6   7450.5224000             -0.0050469        
  7   2905.0744000             -0.0148056        
  8   1204.2100000             -0.0389482        
  9    524.3045400             -0.0896832        
 10    237.4656300             -0.1664076        
 11    110.5786600             -0.2004010        
 12     51.3746240              0.0114943        
 13     24.4408460              0.4958134        
 14     11.7685910              0.5295550        
 15      5.3421190              0.1110185        
 16      2.4950360             -0.0007000        
 17      1.0987730              0.0022283        
 18      0.2601800             -0.0005014        
S   18
  1 6558157.3000000             0.0000009        
  2 982025.3400000              0.0000074        
  3 223467.6900000              0.0000387        
  4  63288.2910000              0.0001633        
  5  20642.9400000              0.0005944        
  6   7450.5224000              0.0019292        
  7   2905.0744000              0.0056689        
  8   1204.2100000              0.0150282        
  9    524.3045400              0.0350222        
 10    237.4656300              0.0671135        
 11    110.5786600              0.0850156        
 12     51.3746240             -0.0047212        
 13     24.4408460             -0.3016737        
 14     11.7685910             -0.4825489        
 15      5.3421190              0.0891695        
 16      2.4950360              0.7287830        
 17      1.0987730              0.4288542        
 18      0.2601800              0.0207249        
S   18
  1 6558157.3000000             0.0000002        
  2 982025.3400000              0.0000017        
  3 223467.6900000              0.0000090        
  4  63288.2910000              0.0000380        
  5  20642.9400000              0.0001382        
  6   7450.5224000              0.0004489        
  7   2905.0744000              0.0013188        
  8   1204.2100000              0.0035016        
  9    524.3045400              0.0081673        
 10    237.4656300              0.0157338        
 11    110.5786600              0.0200284        
 12     51.3746240             -0.0010136        
 13     24.4408460             -0.0750162        
 14     11.7685910             -0.1257980        
 15      5.3421190              0.0300857        
 16      2.4950360              0.2488169        
 17      1.0987730              0.2843706        
 18      0.2601800             -0.3110594        
S   1
  1      0.1270790              1.0000000        
S   1
  1      0.0544080              1.0000000        
S   1
  1      0.0143980              1.0000000        
P   11
  1   8050.1674000              0.0003169        
  2   1907.5361000              0.0027648        
  3    618.6274600              0.0151204        
  4    235.3241700              0.0599583        
  5     98.8996460              0.1733120        
  6     44.2482150              0.3410820        
  7     20.6174290              0.3896967        
  8      9.7805160              0.1839817        
  9      4.4412380              0.0218896        
 10      1.9640450              0.0011608        
 11      0.8335780              0.0002735        
P   11
  1   8050.1674000             -0.0001203        
  2   1907.5361000             -0.0010492        
  3    618.6274600             -0.0058102        
  4    235.3241700             -0.0234345        
  5     98.8996460             -0.0708270        
  6     44.2482150             -0.1465511        
  7     20.6174290             -0.1769660        
  8      9.7805160              0.0363821        
  9      4.4412380              0.4232848        
 10      1.9640450              0.4952586        
 11      0.8335780              0.1797428        
P   11
  1   8050.1674000              0.0000200        
  2   1907.5361000              0.0001689        
  3    618.6274600              0.0009668        
  4    235.3241700              0.0037797        
  5     98.8996460              0.0119082        
  6     44.2482150              0.0235693        
  7     20.6174290              0.0314233        
  8      9.7805160             -0.0136188        
  9      4.4412380             -0.0734003        
 10      1.9640450             -0.1264785        
 11      0.8335780              0.0158579        
P   1
  1      0.1934450              1.0000000        
P   1
  1      0.0561170              1.0000000        
P   1
  1      0.0193000              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        
D   1
  1      0.0387000              1.0000000        
F   1
  1      0.2881000              1.0000000        
F   1
  1      0.0980000              1.0000000


name: aug-cc-pVTZ
description: VTZ2PD Valence Triple Zeta + Polarization + Diffuse
elt: Ge
data:
GERMANIUM
S   18
  1 7447966.8000000             0.0000074        
  2 1115318.2000000             0.0000574        
  3 253842.6500000              0.0003019        
  4  71915.2850000              0.0012733        
  5  23470.1810000              0.0046123        
  6   8477.4918000              0.0148214        
  7   3308.3908000              0.0425536        
  8   1372.6054000              0.1073055        
  9    598.2200700              0.2245178        
 10    271.3860200              0.3453131        
 11    126.9779500              0.3045261        
 12     60.2220650              0.0990670        
 13     28.0185820              0.0041317        
 14     13.5175220              0.0010347        
 15      6.3094060             -0.0004856        
 16      2.9045340              0.0001805        
 17      1.2875560             -0.0000912        
 18      0.1677320             -0.0000266        
S   18
  1 7447966.8000000            -0.0000023        
  2 1115318.2000000            -0.0000179        
  3 253842.6500000             -0.0000940        
  4  71915.2850000             -0.0003964        
  5  23470.1810000             -0.0014425        
  6   8477.4918000             -0.0046675        
  7   3308.3908000             -0.0137153        
  8   1372.6054000             -0.0361797        
  9    598.2200700             -0.0841679        
 10    271.3860200             -0.1588767        
 11    126.9779500             -0.2033807        
 12     60.2220650             -0.0251410        
 13     28.0185820              0.4575152        
 14     13.5175220              0.5571939        
 15      6.3094060              0.1397055        
 16      2.9045340              0.0022645        
 17      1.2875560              0.0020927        
 18      0.1677320              0.0003281        
S   18
  1 7447966.8000000             0.0000009        
  2 1115318.2000000             0.0000069        
  3 253842.6500000              0.0000362        
  4  71915.2850000              0.0001528        
  5  23470.1810000              0.0005563        
  6   8477.4918000              0.0018018        
  7   3308.3908000              0.0053085        
  8   1372.6054000              0.0140877        
  9    598.2200700              0.0332013        
 10    271.3860200              0.0644621        
 11    126.9779500              0.0869540        
 12     60.2220650              0.0118745        
 13     28.0185820             -0.2724534        
 14     13.5175220             -0.5001452        
 15      6.3094060              0.0108554        
 16      2.9045340              0.7216469        
 17      1.2875560              0.4805213        
 18      0.1677320             -0.0102297        
S   18
  1 7447966.8000000            -0.0000002        
  2 1115318.2000000            -0.0000018        
  3 253842.6500000             -0.0000093        
  4  71915.2850000             -0.0000392        
  5  23470.1810000             -0.0001426        
  6   8477.4918000             -0.0004621        
  7   3308.3908000             -0.0013614        
  8   1372.6054000             -0.0036175        
  9    598.2200700             -0.0085359        
 10    271.3860200             -0.0166506        
 11    126.9779500             -0.0225911        
 12     60.2220650             -0.0032147        
 13     28.0185820              0.0744998        
 14     13.5175220              0.1440333        
 15      6.3094060             -0.0080815        
 16      2.9045340             -0.2704163        
 17      1.2875560             -0.3401607        
 18      0.1677320              0.6190657        
S   1
  1      0.3365520              1.0000000        
S   1
  1      0.0710690              1.0000000        
S   1
  1      0.0273700              1.0000000        
P   11
  1   6979.5982000              0.0004569        
  2   1654.1648000              0.0039562        
  3    536.0286500              0.0213143        
  4    203.5371300              0.0818715        
  5     85.2375300              0.2223732        
  6     37.8419620              0.3905659        
  7     17.4065120              0.3560415        
  8      7.8814920              0.1070312        
  9      3.5332130              0.0036941        
 10      1.5214730              0.0019219        
 11      0.1990930              0.0001917        
P   11
  1   6979.5982000             -0.0001756        
  2   1654.1648000             -0.0015305        
  3    536.0286500             -0.0083145        
  4    203.5371300             -0.0328718        
  5     85.2375300             -0.0931661        
  6     37.8419620             -0.1755542        
  7     17.4065120             -0.1467912        
  8      7.8814920              0.1862934        
  9      3.5332130              0.5264862        
 10      1.5214730              0.3970859        
 11      0.1990930             -0.0033478        
P   11
  1   6979.5982000              0.0000348        
  2   1654.1648000              0.0003014        
  3    536.0286500              0.0016487        
  4    203.5371300              0.0064982        
  5     85.2375300              0.0186383        
  6     37.8419620              0.0350613        
  7     17.4065120              0.0295892        
  8      7.8814920             -0.0472458        
  9      3.5332130             -0.1249847        
 10      1.5214730             -0.1210801        
 11      0.1990930              0.5754730        
P   1
  1      0.5627040              1.0000000        
P   1
  1      0.0670310              1.0000000        
P   1
  1      0.0213680              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        
D   1
  1      0.0528000              1.0000000        
F   1
  1      0.3458000              1.0000000        
F   1
  1      0.1323000              1.0000000


name: aug-cc-pVTZ
description: VTZ2PD Valence Triple Zeta + Polarization + Diffuse
elt: As
data:
ARSENIC
S   18
  1 8482339.6000000             0.0000068        
  2 1270150.9000000             0.0000528        
  3 289056.9600000              0.0002774        
  4  81879.8490000              0.0011702        
  5  26716.5640000              0.0042421        
  6   9647.5842000              0.0136557        
  7   3764.1195000              0.0393399        
  8   1561.5656000              0.0999292        
  9    680.8146700              0.2121555        
 10    309.2411900              0.3363866        
 11    145.2573600              0.3155125        
 12     69.7390480              0.1181312        
 13     31.7703250              0.0080076        
 14     15.3917570              0.0003293        
 15      7.3415260             -0.0001523        
 16      3.3237160              0.0000247        
 17      1.4858670             -0.0000366        
 18      0.2115000             -0.0000094        
S   18
  1 8482339.6000000            -0.0000021        
  2 1270150.9000000            -0.0000165        
  3 289056.9600000             -0.0000866        
  4  81879.8490000             -0.0003653        
  5  26716.5640000             -0.0013309        
  6   9647.5842000             -0.0043093        
  7   3764.1195000             -0.0126973        
  8   1561.5656000             -0.0336160        
  9    680.8146700             -0.0789470        
 10    309.2411900             -0.1514458        
 11    145.2573600             -0.2042014        
 12     69.7390480             -0.0557367        
 13     31.7703250              0.4187607        
 14     15.3917570              0.5758762        
 15      7.3415260              0.1696842        
 16      3.3237160              0.0060662        
 17      1.4858670              0.0017605        
 18      0.2115000              0.0002316        
S   18
  1 8482339.6000000             0.0000008        
  2 1270150.9000000             0.0000064        
  3 289056.9600000              0.0000337        
  4  81879.8490000              0.0001423        
  5  26716.5640000              0.0005188        
  6   9647.5842000              0.0016802        
  7   3764.1195000              0.0049677        
  8   1561.5656000              0.0132115        
  9    680.8146700              0.0314566        
 10    309.2411900              0.0618446        
 11    145.2573600              0.0879566        
 12     69.7390480              0.0257548        
 13     31.7703250             -0.2455459        
 14     15.3917570             -0.5090572        
 15      7.3415260             -0.0555749        
 16      3.3237160              0.7083796        
 17      1.4858670              0.5231027        
 18      0.2115000             -0.0111176        
S   18
  1 8482339.6000000            -0.0000002        
  2 1270150.9000000            -0.0000018        
  3 289056.9600000             -0.0000093        
  4  81879.8490000             -0.0000392        
  5  26716.5640000             -0.0001429        
  6   9647.5842000             -0.0004629        
  7   3764.1195000             -0.0013687        
  8   1561.5656000             -0.0036440        
  9    680.8146700             -0.0086884        
 10    309.2411900             -0.0171556        
 11    145.2573600             -0.0245514        
 12     69.7390480             -0.0073524        
 13     31.7703250              0.0720087        
 14     15.3917570              0.1576254        
 15      7.3415260              0.0142074        
 16      3.3237160             -0.2851593        
 17      1.4858670             -0.3885347        
 18      0.2115000              0.6495337        
S   1
  1      0.4210860              1.0000000        
S   1
  1      0.0889740              1.0000000        
S   1
  1      0.0334070              1.0000000        
P   11
  1   7423.8614000              0.0004599        
  2   1759.5166000              0.0039823        
  3    570.2291600              0.0214638        
  4    216.5799700              0.0824617        
  5     90.7342520              0.2238902        
  6     40.3087910              0.3920704        
  7     18.5555020              0.3542238        
  8      8.3965430              0.1048641        
  9      3.7673670              0.0033664        
 10      1.6297010              0.0018495        
 11      0.2225030              0.0002297        
P   11
  1   7423.8614000             -0.0001794        
  2   1759.5166000             -0.0015641        
  3    570.2291600             -0.0084999        
  4    216.5799700             -0.0336327        
  5     90.7342520             -0.0953228        
  6     40.3087910             -0.1793626        
  7     18.5555020             -0.1466682        
  8      8.3965430              0.1966016        
  9      3.7673670              0.5372088        
 10      1.6297010              0.3857361        
 11      0.2225030             -0.0054006        
P   11
  1   7423.8614000              0.0000399        
  2   1759.5166000              0.0003488        
  3    570.2291600              0.0018953        
  4    216.5799700              0.0075325        
  5     90.7342520              0.0214315        
  6     40.3087910              0.0407807        
  7     18.5555020              0.0325249        
  8      8.3965430             -0.0548832        
  9      3.7673670             -0.1511922        
 10      1.6297010             -0.1249011        
 11      0.2225030              0.5855293        
P   1
  1      0.5682630              1.0000000        
P   1
  1      0.0804050              1.0000000        
P   1
  1      0.0267990              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        
D   1
  1      0.0700000              1.0000000        
F   1
  1      0.4158000              1.0000000        
F   1
  1      0.1690000              1.0000000


name: aug-cc-pVTZ
description: VTZ2PD Valence Triple Zeta + Polarization + Diffuse
elt: Se
data:
SELENIUM
S   18
  1 9563600.0000000             0.0000063        
  2 1432100.0000000             0.0000489        
  3 325910.0000000              0.0002574        
  4  92312.0000000              0.0010861        
  5  30116.0000000              0.0039399        
  6  10872.0000000              0.0127041        
  7   4240.1000000              0.0367156        
  8   1758.4000000              0.0938672        
  9    766.5900000              0.2017677        
 10    348.4300000              0.3280540        
 11    164.0300000              0.3238334        
 12     79.1420000              0.1352337        
 13     35.5240000              0.0117075        
 14     17.3050000             -0.0003436        
 15      8.3784000              0.0001665        
 16      3.7405000             -0.0001188        
 17      1.6890000              0.0000204        
 18      0.2552000              0.0000083        
S   18
  1 9563600.0000000            -0.0000020        
  2 1432100.0000000            -0.0000153        
  3 325910.0000000             -0.0000806        
  4  92312.0000000             -0.0003400        
  5  30116.0000000             -0.0012397        
  6  10872.0000000             -0.0040177        
  7   4240.1000000             -0.0118672        
  8   1758.4000000             -0.0315340        
  9    766.5900000             -0.0746439        
 10    348.4300000             -0.1452179        
 11    164.0300000             -0.2038441        
 12     79.1420000             -0.0788711        
 13     35.5240000              0.3845825        
 14     17.3050000              0.5865270        
 15      8.3784000              0.1973591        
 16      3.7405000              0.0100102        
 17      1.6890000              0.0013160        
 18      0.2552000              0.0001109        
S   18
  1 9563600.0000000             0.0000008        
  2 1432100.0000000             0.0000060        
  3 325910.0000000              0.0000317        
  4  92312.0000000              0.0001337        
  5  30116.0000000              0.0004883        
  6  10872.0000000              0.0015821        
  7   4240.1000000              0.0046919        
  8   1758.4000000              0.0125098        
  9    766.5900000              0.0300381        
 10    348.4300000              0.0597271        
 11    164.0300000              0.0884696        
 12     79.1420000              0.0363920        
 13     35.5240000             -0.2235329        
 14     17.3050000             -0.5122462        
 15      8.3784000             -0.1084224        
 16      3.7405000              0.6936372        
 17      1.6890000              0.5558711        
 18      0.2552000             -0.0113832        
S   18
  1 9563600.0000000            -0.0000002        
  2 1432100.0000000            -0.0000018        
  3 325910.0000000             -0.0000093        
  4  92312.0000000             -0.0000391        
  5  30116.0000000             -0.0001428        
  6  10872.0000000             -0.0004627        
  7   4240.1000000             -0.0013722        
  8   1758.4000000             -0.0036628        
  9    766.5900000             -0.0088061        
 10    348.4300000             -0.0175867        
 11    164.0300000             -0.0262074        
 12     79.1420000             -0.0109964        
 13     35.5240000              0.0695697        
 14     17.3050000              0.1683947        
 15      8.3784000              0.0346160        
 16      3.7405000             -0.2978702        
 17      1.6890000             -0.4322569        
 18      0.2552000              0.6757217        
S   1
  1      0.5092700              1.0000000        
S   1
  1      0.1065100              1.0000000        
S   1
  1      0.0392010              1.0000000        
P   11
  1   8004.3000000              0.0004505        
  2   1896.9000000              0.0039049        
  3    614.7100000              0.0210901        
  4    233.5000000              0.0812920        
  5     97.8560000              0.2217841        
  6     43.5140000              0.3907270        
  7     20.0630000              0.3559714        
  8      9.1127000              0.1073272        
  9      4.1063000              0.0036985        
 10      1.7949000              0.0018032        
 11      0.2461500              0.0002208        
P   11
  1   8004.3000000             -0.0001783        
  2   1896.9000000             -0.0015554        
  3    614.7100000             -0.0084727        
  4    233.5000000             -0.0336245        
  5     97.8560000             -0.0958267        
  6     43.5140000             -0.1813907        
  7     20.0630000             -0.1503152        
  8      9.1127000              0.1948263        
  9      4.1063000              0.5415554        
 10      1.7949000              0.3837299        
 11      0.2461500             -0.0050132        
P   11
  1   8004.3000000              0.0000430        
  2   1896.9000000              0.0003770        
  3    614.7100000              0.0020465        
  4    233.5000000              0.0081899        
  5     97.8560000              0.0233356        
  6     43.5140000              0.0449813        
  7     20.0630000              0.0357475        
  8      9.1127000             -0.0586866        
  9      4.1063000             -0.1709573        
 10      1.7949000             -0.1293583        
 11      0.2461500              0.5778069        
P   1
  1      0.6243200              1.0000000        
P   1
  1      0.0889170              1.0000000        
P   1
  1      0.0302510              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        
D   1
  1      0.0837000              1.0000000        
F   1
  1      0.4620000              1.0000000        
F   1
  1      0.1880000              1.0000000


name: aug-cc-pVTZ
description: VTZ2PD Valence Triple Zeta + Polarization + Diffuse
elt: Br
data:
BROMINE
S   18
  1 10639000.0000000            0.0000059        
  2 1593400.0000000             0.0000461        
  3 362610.0000000              0.0002422        
  4 102700.0000000              0.0010226        
  5  33501.0000000              0.0037113        
  6  12093.0000000              0.0119785        
  7   4715.9000000              0.0346927        
  8   1955.6000000              0.0891239        
  9    852.6100000              0.1934557        
 10    387.6700000              0.3209019        
 11    182.6800000              0.3299233        
 12     88.2450000              0.1494121        
 13     39.2630000              0.0149938        
 14     19.2340000             -0.0009165        
 15      9.4057000              0.0004380        
 16      4.1601000             -0.0002398        
 17      1.8995000              0.0000736        
 18      0.3011400              0.0000239        
S   18
  1 10639000.0000000           -0.0000019        
  2 1593400.0000000            -0.0000145        
  3 362610.0000000             -0.0000761        
  4 102700.0000000             -0.0003210        
  5  33501.0000000             -0.0011709        
  6  12093.0000000             -0.0037968        
  7   4715.9000000             -0.0112307        
  8   1955.6000000             -0.0299277        
  9    852.6100000             -0.0712706        
 10    387.6700000             -0.1403136        
 11    182.6800000             -0.2030763        
 12     88.2450000             -0.0960985        
 13     39.2630000              0.3558086        
 14     19.2340000              0.5921792        
 15      9.4057000              0.2215977        
 16      4.1601000              0.0137648        
 17      1.8995000              0.0008395        
 18      0.3011400             -0.0000085        
S   18
  1 10639000.0000000            0.0000007        
  2 1593400.0000000             0.0000057        
  3 362610.0000000              0.0000303        
  4 102700.0000000              0.0001275        
  5  33501.0000000              0.0004659        
  6  12093.0000000              0.0015096        
  7   4715.9000000              0.0044852        
  8   1955.6000000              0.0119835        
  9    852.6100000              0.0289571        
 10    387.6700000              0.0581566        
 11    182.6800000              0.0888133        
 12     88.2450000              0.0445244        
 13     39.2630000             -0.2060387        
 14     19.2340000             -0.5127017        
 15      9.4057000             -0.1509349        
 16      4.1601000              0.6789203        
 17      1.8995000              0.5817697        
 18      0.3011400             -0.0111825        
S   18
  1 10639000.0000000           -0.0000002        
  2 1593400.0000000            -0.0000018        
  3 362610.0000000             -0.0000093        
  4 102700.0000000             -0.0000391        
  5  33501.0000000             -0.0001428        
  6  12093.0000000             -0.0004628        
  7   4715.9000000             -0.0013750        
  8   1955.6000000             -0.0036784        
  9    852.6100000             -0.0088981        
 10    387.6700000             -0.0179529        
 11    182.6800000             -0.0275732        
 12     88.2450000             -0.0140953        
 13     39.2630000              0.0672561        
 14     19.2340000              0.1766928        
 15      9.4057000              0.0528861        
 16      4.1601000             -0.3075955        
 17      1.8995000             -0.4700658        
 18      0.3011400              0.6980341        
S   1
  1      0.6047200              1.0000000        
S   1
  1      0.1251500              1.0000000        
S   1
  1      0.0455930              1.0000000        
P   11
  1   8676.5000000              0.0004357        
  2   2055.9000000              0.0037815        
  3    666.2300000              0.0204782        
  4    253.1000000              0.0792834        
  5    106.1200000              0.2178473        
  6     47.2420000              0.3878585        
  7     21.8250000              0.3594350        
  8      9.9684000              0.1121995        
  9      4.5171000              0.0043874        
 10      1.9982000              0.0017809        
 11      0.2814500              0.0002122        
P   11
  1   8676.5000000             -0.0001748        
  2   2055.9000000             -0.0015263        
  3    666.2300000             -0.0083399        
  4    253.1000000             -0.0332203        
  5    106.1200000             -0.0954180        
  6     47.2420000             -0.1824026        
  7     21.8250000             -0.1558308        
  8      9.9684000              0.1867899        
  9      4.5171000              0.5427733        
 10      1.9982000              0.3873309        
 11      0.2814500             -0.0043784        
P   11
  1   8676.5000000              0.0000451        
  2   2055.9000000              0.0003964        
  3    666.2300000              0.0021555        
  4    253.1000000              0.0086720        
  5    106.1200000              0.0248680        
  6     47.2420000              0.0485472        
  7     21.8250000              0.0396156        
  8      9.9684000             -0.0605749        
  9      4.5171000             -0.1871699        
 10      1.9982000             -0.1377757        
 11      0.2814500              0.5760896        
P   1
  1      0.7098800              1.0000000        
P   1
  1      0.1020400              1.0000000        
P   1
  1      0.0351420              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        
D   1
  1      0.1047000              1.0000000        
F   1
  1      0.5515000              1.0000000        
F   1
  1      0.2580000              1.0000000


name: aug-cc-pVTZ
description: VTZ2PD Valence Triple Zeta + Polarization + Diffuse
elt: Kr
data:
KRYPTON
S   18
  1 11718113.0000000            0.0000056        
  2 1754604.4000000             0.0000438        
  3 399281.3200000              0.0002305        
  4 113084.5700000              0.0009733        
  5  36885.9250000              0.0035337        
  6  13312.2090000              0.0114167        
  7   5189.9883000              0.0331325        
  8   2151.6597000              0.0854464        
  9    938.0325100              0.1869124        
 10    426.5573200              0.3149761        
 11    201.0666000              0.3343334        
 12     97.0976050              0.1608810        
 13     42.9987240              0.0178435        
 14     21.1770750             -0.0013793        
 15     10.4267520              0.0006572        
 16      4.5850080             -0.0003388        
 17      2.1176030              0.0001211        
 18      0.3492250              0.0000366        
S   18
  1 11718113.0000000           -0.0000018        
  2 1754604.4000000            -0.0000138        
  3 399281.3200000             -0.0000726        
  4 113084.5700000             -0.0003063        
  5  36885.9250000             -0.0011177        
  6  13312.2090000             -0.0036270        
  7   5189.9883000             -0.0107432        
  8   2151.6597000             -0.0286992        
  9    938.0325100             -0.0686679        
 10    426.5573200             -0.1365155        
 11    201.0666000             -0.2022458        
 12     97.0976050             -0.1090569        
 13     42.9987240              0.3318768        
 14     21.1770750              0.5948250        
 15     10.4267520              0.2424825        
 16      4.5850080              0.0172241        
 17      2.1176030              0.0003685        
 18      0.3492250             -0.0001153        
S   18
  1 11718113.0000000            0.0000007        
  2 1754604.4000000             0.0000055        
  3 399281.3200000              0.0000292        
  4 113084.5700000              0.0001228        
  5  36885.9250000              0.0004491        
  6  13312.2090000              0.0014557        
  7   5189.9883000              0.0043319        
  8   2151.6597000              0.0115965        
  9    938.0325100              0.0281585        
 10    426.5573200              0.0570339        
 11    201.0666000              0.0891356        
 12     97.0976050              0.0508421        
 13     42.9987240             -0.1921030        
 14     21.1770750             -0.5121040        
 15     10.4267520             -0.1857007        
 16      4.5850080              0.6654119        
 17      2.1176030              0.6023925        
 18      0.3492250             -0.0106453        
S   18
  1 11718113.0000000           -0.0000002        
  2 1754604.4000000            -0.0000018        
  3 399281.3200000             -0.0000093        
  4 113084.5700000             -0.0000391        
  5  36885.9250000             -0.0001430        
  6  13312.2090000             -0.0004639        
  7   5189.9883000             -0.0013801        
  8   2151.6597000             -0.0037001        
  9    938.0325100             -0.0089921        
 10    426.5573200             -0.0183021        
 11    201.0666000             -0.0287559        
 12     97.0976050             -0.0167324        
 13     42.9987240              0.0652410        
 14     21.1770750              0.1834422        
 15     10.4267520              0.0692183        
 16      4.5850080             -0.3156034        
 17      2.1176030             -0.5031501        
 18      0.3492250              0.7171571        
S   1
  1      0.7070570              1.0000000        
S   1
  1      0.1448210              1.0000000        
S   1
  1      0.0519850              1.0000000        
P   11
  1   9366.3090000              0.0004231        
  2   2219.5543000              0.0036743        
  3    719.4528800              0.0199312        
  4    273.4644600              0.0774222        
  5    114.7522500              0.2140386        
  6     51.1555690              0.3848556        
  7     23.6826760              0.3626340        
  8     10.8754840              0.1170818        
  9      4.9551310              0.0051210        
 10      2.2172670              0.0017539        
 11      0.3221540              0.0002199        
P   11
  1   9366.3090000             -0.0001720        
  2   2219.5543000             -0.0015025        
  3    719.4528800             -0.0082269        
  4    273.4644600             -0.0328566        
  5    114.7522500             -0.0950135        
  6     51.1555690             -0.1833106        
  7     23.6826760             -0.1612161        
  8     10.8754840              0.1787644        
  9      4.9551310              0.5437885        
 10      2.2172670              0.3913387        
 11      0.3221540             -0.0047800        
P   11
  1   9366.3090000              0.0000466        
  2   2219.5543000              0.0004100        
  3    719.4528800              0.0022328        
  4    273.4644600              0.0090144        
  5    114.7522500              0.0260115        
  6     51.1555690              0.0513340        
  7     23.6826760              0.0430929        
  8     10.8754840             -0.0615040        
  9      4.9551310             -0.2003424        
 10      2.2172670             -0.1457364        
 11      0.3221540              0.5764581        
P   1
  1      0.8064100              1.0000000        
P   1
  1      0.1176190              1.0000000        
P   1
  1      0.0400330              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        
D   1
  1      0.1257000              1.0000000        
F   1
  1      0.6622000              1.0000000        
F   1
  1      0.3280000              1.0000000        
$


name: aug-cc-pVTZ MP2 Fitting
description: N/A
elt: Sc
data:
SCANDIUM
S   1
  1   1830.0372901              1.0000000        
S   1
  1   1013.8193891              1.0000000        
S   1
  1    463.20663265             1.0000000        
S   1
  1    186.05049236             1.0000000        
S   1
  1     83.246008168            1.0000000        
S   1
  1     36.167617817            1.0000000        
S   1
  1     14.786073814            1.0000000        
S   1
  1      4.1453423475           1.0000000        
S   1
  1      2.7161864463           1.0000000        
S   1
  1      1.1884652320           1.0000000        
S   1
  1      0.67359107267          1.0000000        
S   1
  1      0.47361309779          1.0000000        
S   1
  1      0.18287010264          1.0000000        
S   1
  1      0.49056140126E-01            1.0000000        
P   1
  1    595.75135850             1.0000000        
P   1
  1    142.48942717             1.0000000        
P   1
  1     35.286914567            1.0000000        
P   1
  1      9.4383727580           1.0000000        
P   1
  1      6.2396015272           1.0000000        
P   1
  1      2.3900184092           1.0000000        
P   1
  1      1.0184397586           1.0000000        
P   1
  1      0.78822648280          1.0000000        
P   1
  1      0.58596926696          1.0000000        
P   1
  1      0.36304914817          1.0000000        
P   1
  1      0.16434477854          1.0000000        
P   1
  1      0.61770027376E-01            1.0000000        
D   1
  1    133.66038783             1.0000000        
D   1
  1     44.532239476            1.0000000        
D   1
  1     19.155158805            1.0000000        
D   1
  1      9.1687763276           1.0000000        
D   1
  1      3.9163133136           1.0000000        
D   1
  1      1.6724144844           1.0000000        
D   1
  1      0.98028367287          1.0000000        
D   1
  1      0.46611041290          1.0000000        
D   1
  1      0.26476146937          1.0000000        
D   1
  1      0.68141585595E-01            1.0000000        
F   1
  1     26.815326597            1.0000000        
F   1
  1      5.5001976836           1.0000000        
F   1
  1      4.0875656875           1.0000000        
F   1
  1      1.7677368934           1.0000000        
F   1
  1      0.80823652723          1.0000000        
F   1
  1      0.37572993028          1.0000000        
F   1
  1      0.20306562114          1.0000000        
F   1
  1      0.80483020246E-01            1.0000000        
G   1
  1      9.2229316702           1.0000000        
G   1
  1      2.9242846101           1.0000000        
G   1
  1      1.3516577817           1.0000000        
G   1
  1      0.61482583031          1.0000000        
G   1
  1      0.33087334880          1.0000000        
G   1
  1      0.91125837286E-01            1.0000000        
H   1
  1      1.8239692042           1.0000000        
H   1
  1      0.90232479194          1.0000000        
H   1
  1      0.31517280960          1.0000000        
H   1
  1      0.96298978249E-01            1.0000000        
I   1
  1      1.7212714087           1.0000000        
I   1
  1      0.67359001004          1.0000000        
I   1
  1      0.24682550982          1.0000000


name: aug-cc-pVTZ MP2 Fitting
description: N/A
elt: Ti
data:
TITANIUM
S   1
  1   2013.5814729              1.0000000        
S   1
  1   1105.2674140              1.0000000        
S   1
  1    501.78851952             1.0000000        
S   1
  1    198.72908334             1.0000000        
S   1
  1     87.714264174            1.0000000        
S   1
  1     37.923145568            1.0000000        
S   1
  1     15.927715660            1.0000000        
S   1
  1      6.6279991059           1.0000000        
S   1
  1      2.3109590026           1.0000000        
S   1
  1      1.1765696382           1.0000000        
S   1
  1      0.83332777241          1.0000000        
S   1
  1      0.42294064848          1.0000000        
S   1
  1      0.17454756101          1.0000000        
S   1
  1      0.57125629791E-01            1.0000000        
P   1
  1    654.34497399             1.0000000        
P   1
  1    180.32694132             1.0000000        
P   1
  1     52.328915403            1.0000000        
P   1
  1     18.735871948            1.0000000        
P   1
  1      8.9708506491           1.0000000        
P   1
  1      4.9905749471           1.0000000        
P   1
  1      2.2438275109           1.0000000        
P   1
  1      0.99955856451          1.0000000        
P   1
  1      0.58907501802          1.0000000        
P   1
  1      0.39052672074          1.0000000        
P   1
  1      0.23507091412          1.0000000        
P   1
  1      0.93268220835E-01            1.0000000        
D   1
  1    150.28356216             1.0000000        
D   1
  1     43.447429287            1.0000000        
D   1
  1     16.748652461            1.0000000        
D   1
  1      8.4293435794           1.0000000        
D   1
  1      3.6203775199           1.0000000        
D   1
  1      1.7045739577           1.0000000        
D   1
  1      1.0080405427           1.0000000        
D   1
  1      0.52441768655          1.0000000        
D   1
  1      0.23581507541          1.0000000        
D   1
  1      0.74195692535E-01            1.0000000        
F   1
  1     41.897863649            1.0000000        
F   1
  1     19.226986401            1.0000000        
F   1
  1      4.6956330907           1.0000000        
F   1
  1      2.1444041365           1.0000000        
F   1
  1      1.0645968279           1.0000000        
F   1
  1      0.49727730582          1.0000000        
F   1
  1      0.21121000480          1.0000000        
F   1
  1      0.62667161848E-01            1.0000000        
G   1
  1      8.2099511725           1.0000000        
G   1
  1      2.5238279871           1.0000000        
G   1
  1      1.3963959519           1.0000000        
G   1
  1      0.75266327515          1.0000000        
G   1
  1      0.33249693488          1.0000000        
G   1
  1      0.64532521256E-01            1.0000000        
H   1
  1      2.9588394617           1.0000000        
H   1
  1      1.3699053315           1.0000000        
H   1
  1      0.58842615866          1.0000000        
H   1
  1      0.16510428531          1.0000000        
I   1
  1      1.4462058107           1.0000000        
I   1
  1      0.49181647167          1.0000000        
I   1
  1      0.15288658357          1.0000000


name: aug-cc-pVTZ MP2 Fitting
description: N/A
elt: V
data:
VANADIUM
S   1
  1   1998.9716195              1.0000000        
S   1
  1   1097.8673155              1.0000000        
S   1
  1    498.33315656             1.0000000        
S   1
  1    197.71811644             1.0000000        
S   1
  1     87.107998323            1.0000000        
S   1
  1     37.291056163            1.0000000        
S   1
  1     13.829005789            1.0000000        
S   1
  1      6.2573125706           1.0000000        
S   1
  1      2.6545814028           1.0000000        
S   1
  1      0.98076992050          1.0000000        
S   1
  1      0.62772395163          1.0000000        
S   1
  1      0.21112393506          1.0000000        
S   1
  1      0.16819370253          1.0000000        
S   1
  1      0.10097012277          1.0000000        
P   1
  1    651.51731342             1.0000000        
P   1
  1    178.76054283             1.0000000        
P   1
  1     45.882604530            1.0000000        
P   1
  1     17.934907727            1.0000000        
P   1
  1      8.5028837138           1.0000000        
P   1
  1      4.9875309129           1.0000000        
P   1
  1      2.4985806081           1.0000000        
P   1
  1      1.0312113374           1.0000000        
P   1
  1      0.61386614124          1.0000000        
P   1
  1      0.32392548305          1.0000000        
P   1
  1      0.21436798875          1.0000000        
P   1
  1      0.61726027149E-01            1.0000000        
D   1
  1    149.30578023             1.0000000        
D   1
  1     45.293174370            1.0000000        
D   1
  1     20.175570595            1.0000000        
D   1
  1      9.7038224241           1.0000000        
D   1
  1      4.2376950279           1.0000000        
D   1
  1      2.1125023181           1.0000000        
D   1
  1      1.0211447120           1.0000000        
D   1
  1      0.53327423388          1.0000000        
D   1
  1      0.26631085886          1.0000000        
D   1
  1      0.12140285424          1.0000000        
F   1
  1     33.123492051            1.0000000        
F   1
  1      5.7561126112           1.0000000        
F   1
  1      3.1889332507           1.0000000        
F   1
  1      1.5497028553           1.0000000        
F   1
  1      0.82884437373          1.0000000        
F   1
  1      0.42776319283          1.0000000        
F   1
  1      0.25020605977          1.0000000        
F   1
  1      0.78839804389E-01            1.0000000        
G   1
  1     10.066909356            1.0000000        
G   1
  1      3.3366336353           1.0000000        
G   1
  1      1.8599146206           1.0000000        
G   1
  1      0.85441801953          1.0000000        
G   1
  1      0.41386726643          1.0000000        
G   1
  1      0.15245892100          1.0000000        
H   1
  1      3.9668093595           1.0000000        
H   1
  1      1.9902198895           1.0000000        
H   1
  1      0.78720807708          1.0000000        
H   1
  1      0.26417832143          1.0000000        
I   1
  1      3.1711378954           1.0000000        
I   1
  1      1.6625751750           1.0000000        
I   1
  1      0.63573316959          1.0000000


name: aug-cc-pVTZ MP2 Fitting
description: N/A
elt: Cr
data:
CHROMIUM
S   1
  1   1997.8309640              1.0000000        
S   1
  1   1094.9027089              1.0000000        
S   1
  1    495.75444847             1.0000000        
S   1
  1    193.43844540             1.0000000        
S   1
  1     78.765071345            1.0000000        
S   1
  1     30.131500797            1.0000000        
S   1
  1     14.313016207            1.0000000        
S   1
  1      6.5548260635           1.0000000        
S   1
  1      3.9393063334           1.0000000        
S   1
  1      2.0100789019           1.0000000        
S   1
  1      1.0657694966           1.0000000        
S   1
  1      0.64897696751          1.0000000        
S   1
  1      0.36861853385          1.0000000        
S   1
  1      0.11489651564          1.0000000        
P   1
  1    652.96866972             1.0000000        
P   1
  1    175.06745702             1.0000000        
P   1
  1     39.791940104            1.0000000        
P   1
  1     16.068016552            1.0000000        
P   1
  1      6.7809778440           1.0000000        
P   1
  1      4.1302622868           1.0000000        
P   1
  1      2.1700703600           1.0000000        
P   1
  1      1.0124711063           1.0000000        
P   1
  1      0.54682788903          1.0000000        
P   1
  1      0.28931722507          1.0000000        
P   1
  1      0.12864638603          1.0000000        
P   1
  1      0.43082197534E-01            1.0000000        
D   1
  1    148.72213528             1.0000000        
D   1
  1     45.136917200            1.0000000        
D   1
  1     16.923446942            1.0000000        
D   1
  1      5.6694412881           1.0000000        
D   1
  1      3.0332160796           1.0000000        
D   1
  1      1.6131393126           1.0000000        
D   1
  1      0.94385047152          1.0000000        
D   1
  1      0.50087747480          1.0000000        
D   1
  1      0.14858461651          1.0000000        
D   1
  1      0.52146260984E-01            1.0000000        
F   1
  1     37.237009000            1.0000000        
F   1
  1      6.5273348213           1.0000000        
F   1
  1      3.9482575372           1.0000000        
F   1
  1      1.9254781802           1.0000000        
F   1
  1      1.1312413381           1.0000000        
F   1
  1      0.61891216295          1.0000000        
F   1
  1      0.25559464768          1.0000000        
F   1
  1      0.78468579617E-01            1.0000000        
G   1
  1     12.471977067            1.0000000        
G   1
  1      4.1997937331           1.0000000        
G   1
  1      2.5213180841           1.0000000        
G   1
  1      1.1894578741           1.0000000        
G   1
  1      0.64263941342          1.0000000        
G   1
  1      0.21423796126          1.0000000        
H   1
  1      5.1810976014           1.0000000        
H   1
  1      2.5266646403           1.0000000        
H   1
  1      1.1199769662           1.0000000        
H   1
  1      0.44207512449          1.0000000        
I   1
  1      4.1824976184           1.0000000        
I   1
  1      2.1649779872           1.0000000        
I   1
  1      0.94019830176          1.0000000


name: aug-cc-pVTZ MP2 Fitting
description: N/A
elt: Mn
data:
MANGANESE
S   1
  1   2002.6066349              1.0000000        
S   1
  1   1097.8843062              1.0000000        
S   1
  1    497.56704016             1.0000000        
S   1
  1    196.46778137             1.0000000        
S   1
  1     84.873752718            1.0000000        
S   1
  1     32.572535289            1.0000000        
S   1
  1     10.232329573            1.0000000        
S   1
  1      5.2348740715           1.0000000        
S   1
  1      2.5533221583           1.0000000        
S   1
  1      1.2323383646           1.0000000        
S   1
  1      0.65650815191          1.0000000        
S   1
  1      0.35980094424          1.0000000        
S   1
  1      0.14689432162          1.0000000        
S   1
  1      0.55832474412E-01            1.0000000        
P   1
  1    653.76541156             1.0000000        
P   1
  1    183.28146010             1.0000000        
P   1
  1     52.256756362            1.0000000        
P   1
  1     16.738213942            1.0000000        
P   1
  1      9.0189541968           1.0000000        
P   1
  1      4.0827102657           1.0000000        
P   1
  1      1.8044868463           1.0000000        
P   1
  1      1.0176510784           1.0000000        
P   1
  1      0.57629676196          1.0000000        
P   1
  1      0.32567877418          1.0000000        
P   1
  1      0.16032993071          1.0000000        
P   1
  1      0.70235423438E-01            1.0000000        
D   1
  1    148.59713547             1.0000000        
D   1
  1     44.509352668            1.0000000        
D   1
  1     19.950122576            1.0000000        
D   1
  1      6.1613327881           1.0000000        
D   1
  1      3.3890560883           1.0000000        
D   1
  1      1.5231529875           1.0000000        
D   1
  1      0.84564500888          1.0000000        
D   1
  1      0.46821094781          1.0000000        
D   1
  1      0.21060829677          1.0000000        
D   1
  1      0.79605578147E-01            1.0000000        
F   1
  1     41.319260188            1.0000000        
F   1
  1      7.5956241930           1.0000000        
F   1
  1      4.5662527126           1.0000000        
F   1
  1      2.2878596322           1.0000000        
F   1
  1      1.2076174167           1.0000000        
F   1
  1      0.60683169939          1.0000000        
F   1
  1      0.33089631463          1.0000000        
F   1
  1      0.12014239837          1.0000000        
G   1
  1     14.099430547            1.0000000        
G   1
  1      4.9010793353           1.0000000        
G   1
  1      2.6743373910           1.0000000        
G   1
  1      1.2461349621           1.0000000        
G   1
  1      0.67516217891          1.0000000        
G   1
  1      0.26333106147          1.0000000        
H   1
  1      6.0833849554           1.0000000        
H   1
  1      3.0076543930           1.0000000        
H   1
  1      1.2930800963           1.0000000        
H   1
  1      0.47895616768          1.0000000        
I   1
  1      4.2004250123           1.0000000        
I   1
  1      2.2521907663           1.0000000        
I   1
  1      1.0590900816           1.0000000


name: aug-cc-pVTZ MP2 Fitting
description: N/A
elt: Fe
data:
IRON
S   1
  1   2005.9218420              1.0000000        
S   1
  1   1100.9403153              1.0000000        
S   1
  1    503.12013311             1.0000000        
S   1
  1    200.00437784             1.0000000        
S   1
  1     86.694806501            1.0000000        
S   1
  1     34.979437577            1.0000000        
S   1
  1     11.099668839            1.0000000        
S   1
  1      4.9195496243           1.0000000        
S   1
  1      2.6757293972           1.0000000        
S   1
  1      1.4516603398           1.0000000        
S   1
  1      0.66807699046          1.0000000        
S   1
  1      0.33466849851          1.0000000        
S   1
  1      0.17791959762          1.0000000        
S   1
  1      0.78505367625E-01            1.0000000        
P   1
  1    649.92077081             1.0000000        
P   1
  1    184.40455742             1.0000000        
P   1
  1     39.948122871            1.0000000        
P   1
  1     16.677242918            1.0000000        
P   1
  1      9.3398798481           1.0000000        
P   1
  1      3.9577899211           1.0000000        
P   1
  1      1.9816170544           1.0000000        
P   1
  1      0.95260696506          1.0000000        
P   1
  1      0.47846273333          1.0000000        
P   1
  1      0.20739085711          1.0000000        
P   1
  1      0.99436202116E-01            1.0000000        
P   1
  1      0.43850750943E-01            1.0000000        
D   1
  1    147.64159744             1.0000000        
D   1
  1     46.862506686            1.0000000        
D   1
  1     17.060537269            1.0000000        
D   1
  1      7.5465693567           1.0000000        
D   1
  1      3.8037043329           1.0000000        
D   1
  1      1.8064830156           1.0000000        
D   1
  1      0.91753465076          1.0000000        
D   1
  1      0.43933648441          1.0000000        
D   1
  1      0.18218361076          1.0000000        
D   1
  1      0.10397090188          1.0000000        
F   1
  1     42.320439914            1.0000000        
F   1
  1      9.9588100880           1.0000000        
F   1
  1      5.2595206644           1.0000000        
F   1
  1      2.7105343913           1.0000000        
F   1
  1      1.2476169054           1.0000000        
F   1
  1      0.64578851847          1.0000000        
F   1
  1      0.27020320643          1.0000000        
F   1
  1      0.95352199223E-01            1.0000000        
G   1
  1     15.190367514            1.0000000        
G   1
  1      5.2539096931           1.0000000        
G   1
  1      2.6248471732           1.0000000        
G   1
  1      1.1670142850           1.0000000        
G   1
  1      0.54937932133          1.0000000        
G   1
  1      0.21088451236          1.0000000        
H   1
  1      7.0413552771           1.0000000        
H   1
  1      3.5830975743           1.0000000        
H   1
  1      1.4751069368           1.0000000        
H   1
  1      0.52753239378          1.0000000        
I   1
  1      6.4250686900           1.0000000        
I   1
  1      3.0964851254           1.0000000        
I   1
  1      1.2778600368           1.0000000


name: aug-cc-pVTZ MP2 Fitting
description: N/A
elt: Co
data:
COBALT
S   1
  1   1994.9171666              1.0000000        
S   1
  1   1096.0888007              1.0000000        
S   1
  1    491.85196500             1.0000000        
S   1
  1    192.48346968             1.0000000        
S   1
  1     84.147734876            1.0000000        
S   1
  1     33.831274963            1.0000000        
S   1
  1      9.9489571904           1.0000000        
S   1
  1      4.0799974603           1.0000000        
S   1
  1      2.1172344765           1.0000000        
S   1
  1      1.1866664364           1.0000000        
S   1
  1      0.46701924243          1.0000000        
S   1
  1      0.15619495587          1.0000000        
S   1
  1      0.96716543899E-01            1.0000000        
S   1
  1      0.42882729146E-01            1.0000000        
P   1
  1    649.14976212             1.0000000        
P   1
  1    181.90838555             1.0000000        
P   1
  1     43.037406949            1.0000000        
P   1
  1     14.622622921            1.0000000        
P   1
  1      6.1591872268           1.0000000        
P   1
  1      2.8463859603           1.0000000        
P   1
  1      1.8194353721           1.0000000        
P   1
  1      1.0283785291           1.0000000        
P   1
  1      0.58744930257          1.0000000        
P   1
  1      0.24599669908          1.0000000        
P   1
  1      0.99016159447E-01            1.0000000        
P   1
  1      0.41284449046E-01            1.0000000        
D   1
  1    150.04639635             1.0000000        
D   1
  1     44.275282438            1.0000000        
D   1
  1     19.966986036            1.0000000        
D   1
  1      8.0611327311           1.0000000        
D   1
  1      4.2617262131           1.0000000        
D   1
  1      2.1335274055           1.0000000        
D   1
  1      1.1103310825           1.0000000        
D   1
  1      0.59113105477          1.0000000        
D   1
  1      0.23743138879          1.0000000        
D   1
  1      0.99391065889E-01            1.0000000        
F   1
  1     50.094744065            1.0000000        
F   1
  1      9.5708408155           1.0000000        
F   1
  1      6.1925553504           1.0000000        
F   1
  1      3.0466088088           1.0000000        
F   1
  1      1.5813323140           1.0000000        
F   1
  1      0.73156368102          1.0000000        
F   1
  1      0.41485884484          1.0000000        
F   1
  1      0.14651551236          1.0000000        
G   1
  1     18.379020559            1.0000000        
G   1
  1      6.4852954256           1.0000000        
G   1
  1      3.6671325974           1.0000000        
G   1
  1      1.6509237559           1.0000000        
G   1
  1      0.89838914136          1.0000000        
G   1
  1      0.34574956063          1.0000000        
H   1
  1      8.3852211460           1.0000000        
H   1
  1      4.1901331152           1.0000000        
H   1
  1      1.8390675210           1.0000000        
H   1
  1      0.69294208028          1.0000000        
I   1
  1      6.4817058195           1.0000000        
I   1
  1      3.5035095694           1.0000000        
I   1
  1      1.5845433458           1.0000000


name: aug-cc-pVTZ MP2 Fitting
description: N/A
elt: Ni
data:
NICKEL
S   1
  1   1997.6747908              1.0000000        
S   1
  1   1097.1365951              1.0000000        
S   1
  1    495.73978063             1.0000000        
S   1
  1    195.97759386             1.0000000        
S   1
  1     87.155620799            1.0000000        
S   1
  1     35.141587627            1.0000000        
S   1
  1      9.7003468892           1.0000000        
S   1
  1      5.6252388467           1.0000000        
S   1
  1      3.3479619395           1.0000000        
S   1
  1      1.5003065663           1.0000000        
S   1
  1      0.96519854683          1.0000000        
S   1
  1      0.48134893512          1.0000000        
S   1
  1      0.16701210693          1.0000000        
S   1
  1      0.37466374760E-01            1.0000000        
P   1
  1    638.26801901             1.0000000        
P   1
  1    184.23739839             1.0000000        
P   1
  1     48.819981663            1.0000000        
P   1
  1     15.701999265            1.0000000        
P   1
  1      6.9487018494           1.0000000        
P   1
  1      3.4505881417           1.0000000        
P   1
  1      2.0373185885           1.0000000        
P   1
  1      1.1798222376           1.0000000        
P   1
  1      0.57208409474          1.0000000        
P   1
  1      0.24111736567          1.0000000        
P   1
  1      0.10746958651          1.0000000        
P   1
  1      0.23779581862E-01            1.0000000        
D   1
  1    146.48880217             1.0000000        
D   1
  1     44.747015569            1.0000000        
D   1
  1     19.494456203            1.0000000        
D   1
  1     10.266568895            1.0000000        
D   1
  1      4.6581229043           1.0000000        
D   1
  1      2.6005080760           1.0000000        
D   1
  1      1.3012663193           1.0000000        
D   1
  1      0.58890617969          1.0000000        
D   1
  1      0.23646633754          1.0000000        
D   1
  1      0.17252457502          1.0000000        
F   1
  1     54.069576000            1.0000000        
F   1
  1     11.099834079            1.0000000        
F   1
  1      6.7118980974           1.0000000        
F   1
  1      3.4928234802           1.0000000        
F   1
  1      1.6683735961           1.0000000        
F   1
  1      0.72144704156          1.0000000        
F   1
  1      0.32545859359          1.0000000        
F   1
  1      0.14223650190          1.0000000        
G   1
  1     19.839861288            1.0000000        
G   1
  1      7.0652712007           1.0000000        
G   1
  1      3.8005619024           1.0000000        
G   1
  1      1.7317767710           1.0000000        
G   1
  1      0.78831749133          1.0000000        
G   1
  1      0.28517676041          1.0000000        
H   1
  1      9.6757405122           1.0000000        
H   1
  1      4.9092445963           1.0000000        
H   1
  1      2.1173648723           1.0000000        
H   1
  1      0.75953047425          1.0000000        
I   1
  1      7.5939716506           1.0000000        
I   1
  1      4.1429406424           1.0000000        
I   1
  1      1.8742449469           1.0000000


name: aug-cc-pVTZ MP2 Fitting
description: N/A
elt: Cu
data:
COPPER
S   1
  1   1988.3943331              1.0000000        
S   1
  1   1097.6031754              1.0000000        
S   1
  1    487.37158842             1.0000000        
S   1
  1    188.99742634             1.0000000        
S   1
  1     88.296191501            1.0000000        
S   1
  1     41.741334470            1.0000000        
S   1
  1     11.348373925            1.0000000        
S   1
  1      5.1923780765           1.0000000        
S   1
  1      2.4030648701           1.0000000        
S   1
  1      1.3038730326           1.0000000        
S   1
  1      0.65644550072          1.0000000        
S   1
  1      0.26113372227          1.0000000        
S   1
  1      0.15633704072          1.0000000        
S   1
  1      0.88486014425E-01            1.0000000        
P   1
  1    544.37919462             1.0000000        
P   1
  1    169.94322582             1.0000000        
P   1
  1     46.298367013            1.0000000        
P   1
  1     18.709714488            1.0000000        
P   1
  1     10.919530994            1.0000000        
P   1
  1      5.0483956555           1.0000000        
P   1
  1      2.4642084474           1.0000000        
P   1
  1      1.3923761990           1.0000000        
P   1
  1      0.60123889547          1.0000000        
P   1
  1      0.28424810230          1.0000000        
P   1
  1      0.15664865850          1.0000000        
P   1
  1      0.81004901106E-01            1.0000000        
D   1
  1    143.23328678             1.0000000        
D   1
  1     35.079616426            1.0000000        
D   1
  1     14.343136515            1.0000000        
D   1
  1      8.8025938565           1.0000000        
D   1
  1      4.4503116420           1.0000000        
D   1
  1      2.3012884705           1.0000000        
D   1
  1      1.4858584764           1.0000000        
D   1
  1      0.66345007976          1.0000000        
D   1
  1      0.27729818911          1.0000000        
D   1
  1      0.11908368207          1.0000000        
F   1
  1     60.474497698            1.0000000        
F   1
  1     11.827049352            1.0000000        
F   1
  1      7.9573367981           1.0000000        
F   1
  1      4.0635911790           1.0000000        
F   1
  1      2.0095561906           1.0000000        
F   1
  1      0.92059006097          1.0000000        
F   1
  1      0.54126196249          1.0000000        
F   1
  1      0.27300843581          1.0000000        
G   1
  1     23.344023298            1.0000000        
G   1
  1      8.2968740238           1.0000000        
G   1
  1      4.8120260243           1.0000000        
G   1
  1      2.1788387939           1.0000000        
G   1
  1      1.1629222161           1.0000000        
G   1
  1      0.44552809251          1.0000000        
H   1
  1     11.128671950            1.0000000        
H   1
  1      5.7735262465           1.0000000        
H   1
  1      2.4851190600           1.0000000        
H   1
  1      0.91520105376          1.0000000        
I   1
  1      8.8104756455           1.0000000        
I   1
  1      4.7968659582           1.0000000        
I   1
  1      2.2959415073           1.0000000


name: aug-cc-pVTZ MP2 Fitting
description: N/A
elt: Zn
data:
ZINC
S   1
  1   1983.9146450              1.0000000        
S   1
  1   1087.2438282              1.0000000        
S   1
  1    479.62177968             1.0000000        
S   1
  1    175.95286833             1.0000000        
S   1
  1     74.202151189            1.0000000        
S   1
  1     38.667200183            1.0000000        
S   1
  1     10.236101439            1.0000000        
S   1
  1      6.2204086909           1.0000000        
S   1
  1      2.1271896267           1.0000000        
S   1
  1      1.1159401609           1.0000000        
S   1
  1      0.37325935282          1.0000000        
S   1
  1      0.16674317060          1.0000000        
S   1
  1      0.12483945329          1.0000000        
S   1
  1      0.68468430031E-01            1.0000000        
P   1
  1    539.01328113             1.0000000        
P   1
  1    157.63172978             1.0000000        
P   1
  1     49.627453821            1.0000000        
P   1
  1     19.403112464            1.0000000        
P   1
  1      7.3658598057           1.0000000        
P   1
  1      5.1076186398           1.0000000        
P   1
  1      1.6863645923           1.0000000        
P   1
  1      1.1929528778           1.0000000        
P   1
  1      0.54459548780          1.0000000        
P   1
  1      0.21695148649          1.0000000        
P   1
  1      0.12138312420          1.0000000        
P   1
  1      0.65315080686E-01            1.0000000        
D   1
  1    132.71269142             1.0000000        
D   1
  1     33.932639377            1.0000000        
D   1
  1     15.656265046            1.0000000        
D   1
  1      8.1524450833           1.0000000        
D   1
  1      4.7833990302           1.0000000        
D   1
  1      2.2141648328           1.0000000        
D   1
  1      1.5668347800           1.0000000        
D   1
  1      0.75068249198          1.0000000        
D   1
  1      0.35997188208          1.0000000        
D   1
  1      0.15754762963          1.0000000        
F   1
  1     67.751331438            1.0000000        
F   1
  1     12.636572349            1.0000000        
F   1
  1     10.926306756            1.0000000        
F   1
  1      5.1091869559           1.0000000        
F   1
  1      2.6193081217           1.0000000        
F   1
  1      1.4754561008           1.0000000        
F   1
  1      0.71255689329          1.0000000        
F   1
  1      0.44097770518          1.0000000        
G   1
  1     27.246512773            1.0000000        
G   1
  1      9.9101533886           1.0000000        
G   1
  1      6.1151618791           1.0000000        
G   1
  1      2.7707126798           1.0000000        
G   1
  1      1.6312211342           1.0000000        
G   1
  1      0.62543387250          1.0000000        
H   1
  1     12.917411694            1.0000000        
H   1
  1      6.8009803285           1.0000000        
H   1
  1      2.9731757098           1.0000000        
H   1
  1      1.1348430531           1.0000000        
I   1
  1     10.806578715            1.0000000        
I   1
  1      5.8819272669           1.0000000        
I   1
  1      2.8828645211           1.0000000


name: aug-cc-pVTZ-DK Diffuse
description: 1D Diffuse Functions
elt: Sc
data:
SCANDIUM
S   1
  1      0.0111000              1.0000000        
P   1
  1      0.0106600              1.0000000        
D   1
  1      0.0124400              1.0000000        
F   1
  1      0.0406300              1.0000000        
G   1
  1      0.0947300              1.0000000


name: aug-cc-pVTZ-DK Diffuse
description: 1D Diffuse Functions
elt: Ti
data:
TITANIUM
S   1
  1      0.0117300              1.0000000        
P   1
  1      0.0117200              1.0000000        
D   1
  1      0.0171200              1.0000000        
F   1
  1      0.0806900              1.0000000        
G   1
  1      0.2041300              1.0000000


name: aug-cc-pVTZ-DK Diffuse
description: 1D Diffuse Functions
elt: V
data:
VANADIUM
S   1
  1      0.0123200              1.0000000        
P   1
  1      0.0124000              1.0000000        
D   1
  1      0.0224000              1.0000000        
F   1
  1      0.1281300              1.0000000        
G   1
  1      0.3721200              1.0000000


name: aug-cc-pVTZ-DK Diffuse
description: 1D Diffuse Functions
elt: Cr
data:
CHROMIUM
S   1
  1      0.0124700              1.0000000        
P   1
  1      0.0130700              1.0000000        
D   1
  1      0.0249800              1.0000000        
F   1
  1      0.1724900              1.0000000        
G   1
  1      0.4989600              1.0000000


name: aug-cc-pVTZ-DK Diffuse
description: 1D Diffuse Functions
elt: Mn
data:
MANGANESE
S   1
  1      0.0133500              1.0000000        
P   1
  1      0.0137600              1.0000000        
D   1
  1      0.0285300              1.0000000        
F   1
  1      0.2176400              1.0000000        
G   1
  1      0.6143600              1.0000000


name: aug-cc-pVTZ-DK Diffuse
description: 1D Diffuse Functions
elt: Fe
data:
IRON
S   1
  1      0.0140100              1.0000000        
P   1
  1      0.0140100              1.0000000        
D   1
  1      0.0321600              1.0000000        
F   1
  1      0.2672300              1.0000000        
G   1
  1      0.7642600              1.0000000


name: aug-cc-pVTZ-DK Diffuse
description: 1D Diffuse Functions
elt: Co
data:
COBALT
S   1
  1      0.0145900              1.0000000        
P   1
  1      0.0152000              1.0000000        
D   1
  1      0.0359800              1.0000000        
F   1
  1      0.3204100              1.0000000        
G   1
  1      0.9281600              1.0000000


name: aug-cc-pVTZ-DK Diffuse
description: 1D Diffuse Functions
elt: Ni
data:
NICKEL
S   1
  1      0.0151600              1.0000000        
P   1
  1      0.0149400              1.0000000        
D   1
  1      0.0399900              1.0000000        
F   1
  1      0.3772500              1.0000000        
G   1
  1      1.1744600              1.0000000


name: aug-cc-pVTZ-DK Diffuse
description: 1D Diffuse Functions
elt: Cu
data:
COPPER
S   1
  1      0.0157200              1.0000000        
P   1
  1      0.0153800              1.0000000        
D   1
  1      0.0648900              1.0000000        
F   1
  1      0.4516500              1.0000000        
G   1
  1      1.4055600              1.0000000


name: aug-cc-pVTZ-DK Diffuse
description: 1D Diffuse Functions
elt: Zn
data:
ZINC
S   1
  1      0.0162300              1.0000000        
P   1
  1      0.0158200              1.0000000        
D   1
  1      0.0889700              1.0000000        
F   1
  1      0.5365400              1.0000000        
G   1
  1      1.7512600              1.0000000


name: aug-cc-pVTZ-DK Diffuse
description: 1D Diffuse Functions
elt: Kr
data:
KRYPTON
S   1
  1      0.0519850              1.0000000        
P   1
  1      0.0400330              1.0000000        
D   1
  1      0.1257000              1.0000000        
F   1
  1      0.3280000              1.0000000


name: aug-cc-pVTZ-DK Diffuse
description: 1D Diffuse Functions
elt: Y
data:
YTTRIUM
S   1
  1      0.0105000              1.0000000        
P   1
  1      0.0094000              1.0000000        
D   1
  1      0.0114000              1.0000000        
F   1
  1      0.0363000              1.0000000        
G   1
  1      0.0792000              1.0000000


name: aug-cc-pVTZ-DK Diffuse
description: 1D Diffuse Functions
elt: Zr
data:
ZIRCONIUM
S   1
  1      0.0112000              1.0000000        
P   1
  1      0.0105000              1.0000000        
D   1
  1      0.0149000              1.0000000        
F   1
  1      0.0631000              1.0000000        
G   1
  1      0.1377000              1.0000000


name: aug-cc-pVTZ-DK Diffuse
description: 1D Diffuse Functions
elt: Nb
data:
NIOBIUM
S   1
  1      0.0117000              1.0000000        
P   1
  1      0.0112000              1.0000000        
D   1
  1      0.0189000              1.0000000        
F   1
  1      0.0921000              1.0000000        
G   1
  1      0.2175000              1.0000000


name: aug-cc-pVTZ-DK Diffuse
description: 1D Diffuse Functions
elt: Mo
data:
MOLYBDENUM
S   1
  1      0.0124000              1.0000000        
P   1
  1      0.0119000              1.0000000        
D   1
  1      0.0201000              1.0000000        
F   1
  1      0.1190000              1.0000000        
G   1
  1      0.2855000              1.0000000


name: aug-cc-pVTZ-DK Diffuse
description: 1D Diffuse Functions
elt: Tc
data:
TECHNETIUM
S   1
  1      0.0127000              1.0000000        
P   1
  1      0.0123000              1.0000000        
D   1
  1      0.0235000              1.0000000        
F   1
  1      0.1460000              1.0000000        
G   1
  1      0.3554000              1.0000000


name: aug-cc-pVTZ-DK Diffuse
description: 1D Diffuse Functions
elt: Ru
data:
RUTHENIUM
S   1
  1      0.0132000              1.0000000        
P   1
  1      0.0123000              1.0000000        
D   1
  1      0.0261000              1.0000000        
F   1
  1      0.1757000              1.0000000        
G   1
  1      0.4376000              1.0000000


name: aug-cc-pVTZ-DK Diffuse
description: 1D Diffuse Functions
elt: Rh
data:
RHODIUM
S   1
  1      0.0140000              1.0000000        
P   1
  1      0.0136000              1.0000000        
D   1
  1      0.0290000              1.0000000        
F   1
  1      0.2080000              1.0000000        
G   1
  1      0.5224000              1.0000000


name: aug-cc-pVTZ-DK Diffuse
description: 1D Diffuse Functions
elt: Pd
data:
PALLADIUM
S   1
  1      0.0142000              1.0000000        
P   1
  1      0.0131000              1.0000000        
D   1
  1      0.0320000              1.0000000        
F   1
  1      0.2424000              1.0000000        
G   1
  1      0.6192000              1.0000000        
$


name: aug-cc-pVTZ-DK
description: VTZ2P All-electron 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        
S   1
  1      0.0252600              1.0000000        
P   1
  1      1.4070000              1.0000000        
P   1
  1      0.3880000              1.0000000        
P   1
  1      0.1020000              1.0000000        
D   1
  1      1.0570000              1.0000000        
D   1
  1      0.2470000              1.0000000


name: aug-cc-pVTZ-DK
description: VTZ2P All-electron 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        
S   1
  1      0.0513800              1.0000000        
P   1
  1      3.0440000              1.0000000        
P   1
  1      0.7580000              1.0000000        
P   1
  1      0.1993000              1.0000000        
D   1
  1      1.9650000              1.0000000        
D   1
  1      0.4592000              1.0000000


name: aug-cc-pVTZ-DK
description: VTZ2P All-electron 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        
S   1
  1      0.0076000              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        
P   1
  1      0.0091000              1.0000000        
D   1
  1      0.1874000              1.0000000        
D   1
  1      0.0801000              1.0000000        
D   1
  1      0.0371000              1.0000000        
F   1
  1      0.1829000              1.0000000        
F   1
  1      0.0816000              1.0000000


name: aug-cc-pVTZ-DK
description: VTZ2P All-electron 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        
S   1
  1      0.0150300              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        
P   1
  1      0.0070600              1.0000000        
D   1
  1      0.3480000              1.0000000        
D   1
  1      0.1803000              1.0000000        
D   1
  1      0.0654000              1.0000000        
F   1
  1      0.3250000              1.0000000        
F   1
  1      0.1533000              1.0000000


name: aug-cc-pVTZ-DK
description: VTZ2P All-electron 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        
S   1
  1      0.0291400              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        
P   1
  1      0.0209600              1.0000000        
D   1
  1      0.6610000              1.0000000        
D   1
  1      0.1990000              1.0000000        
D   1
  1      0.0604000              1.0000000        
F   1
  1      0.4900000              1.0000000        
F   1
  1      0.1630000              1.0000000


name: aug-cc-pVTZ-DK
description: VTZ2P All-electron 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        
S   1
  1      0.0440200              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        
P   1
  1      0.0356900              1.0000000        
D   1
  1      1.0970000              1.0000000        
D   1
  1      0.3180000              1.0000000        
D   1
  1      0.1000000              1.0000000        
F   1
  1      0.7610000              1.0000000        
F   1
  1      0.2680000              1.0000000


name: aug-cc-pVTZ-DK
description: VTZ2P All-electron 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        
S   1
  1      0.0576000              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        
P   1
  1      0.0491000              1.0000000        
D   1
  1      1.6540000              1.0000000        
D   1
  1      0.4690000              1.0000000        
D   1
  1      0.1510000              1.0000000        
F   1
  1      1.0930000              1.0000000        
F   1
  1      0.3640000              1.0000000


name: aug-cc-pVTZ-DK
description: VTZ2P All-electron 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        
S   1
  1      0.0737600              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        
P   1
  1      0.0597400              1.0000000        
D   1
  1      2.3140000              1.0000000        
D   1
  1      0.6450000              1.0000000        
D   1
  1      0.2140000              1.0000000        
F   1
  1      1.4280000              1.0000000        
F   1
  1      0.5000000              1.0000000


name: aug-cc-pVTZ-DK
description: VTZ2P All-electron 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        
S   1
  1      0.0915800              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        
P   1
  1      0.0736100              1.0000000        
D   1
  1      3.1070000              1.0000000        
D   1
  1      0.8550000              1.0000000        
D   1
  1      0.2920000              1.0000000        
F   1
  1      1.9170000              1.0000000        
F   1
  1      0.7240000              1.0000000


name: aug-cc-pVTZ-DK
description: VTZ2P All-electron 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        
S   1
  1      0.1133000              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        
P   1
  1      0.0917500              1.0000000        
D   1
  1      4.0140000              1.0000000        
D   1
  1      1.0960000              1.0000000        
D   1
  1      0.3860000              1.0000000        
F   1
  1      2.5440000              1.0000000        
F   1
  1      1.0840000              1.0000000


name: aug-cc-pVTZ-DK
description: VTZ2P All-electron 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        
S   1
  1      0.0066500              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        
P   1
  1      0.0070000              1.0000000        
D   1
  1      0.1367000              1.0000000        
D   1
  1      0.0636000              1.0000000        
D   1
  1      0.0223000              1.0000000        
F   1
  1      0.1397000              1.0000000        
F   1
  1      0.0714000              1.0000000


name: aug-cc-pVTZ-DK
description: VTZ2P All-electron 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        
S   1
  1      0.0129000              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        
P   1
  1      0.0074500              1.0000000        
D   1
  1      0.1260000              1.0000000        
D   1
  1      0.2940000              1.0000000        
D   1
  1      0.0468000              1.0000000        
F   1
  1      0.2520000              1.0000000        
F   1
  1      0.0940000              1.0000000


name: aug-cc-pVTZ-DK
description: VTZ2P All-electron 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        
S   1
  1      0.0221000              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        
P   1
  1      0.0146000              1.0000000        
D   1
  1      0.1090000              1.0000000        
D   1
  1      0.3330000              1.0000000        
D   1
  1      0.0356000              1.0000000        
F   1
  1      0.2440000              1.0000000        
F   1
  1      0.0858000              1.0000000


name: aug-cc-pVTZ-DK
description: VTZ2P All-electron 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        
S   1
  1      0.0330000              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        
P   1
  1      0.0237000              1.0000000        
D   1
  1      0.1590000              1.0000000        
D   1
  1      0.4810000              1.0000000        
D   1
  1      0.0556000              1.0000000        
F   1
  1      0.3360000              1.0000000        
F   1
  1      0.1250000              1.0000000


name: aug-cc-pVTZ-DK
description: VTZ2P All-electron Douglas-Kroll Valence Triple Zeta + Polarization
elt: P
data:
PHOSPHORUS
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        
S   1
  1      0.0409000              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        
P   1
  1      0.0307000              1.0000000        
D   1
  1      0.2160000              1.0000000        
D   1
  1      0.6520000              1.0000000        
D   1
  1      0.0775000              1.0000000        
F   1
  1      0.4520000              1.0000000        
F   1
  1      0.1650000              1.0000000


name: aug-cc-pVTZ-DK
description: VTZ2P All-electron 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        
S   1
  1      0.0497000              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        
P   1
  1      0.0351000              1.0000000        
D   1
  1      0.2690000              1.0000000        
D   1
  1      0.8190000              1.0000000        
D   1
  1      0.1010000              1.0000000        
F   1
  1      0.5570000              1.0000000        
F   1
  1      0.2180000              1.0000000


name: aug-cc-pVTZ-DK
description: VTZ2P All-electron 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        
S   1
  1      0.0591000              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        
P   1
  1      0.0419000              1.0000000        
D   1
  1      1.0460000              1.0000000        
D   1
  1      0.3440000              1.0000000        
D   1
  1      0.1350000              1.0000000        
F   1
  1      0.7060000              1.0000000        
F   1
  1      0.3120000              1.0000000


name: aug-cc-pVTZ-DK
description: VTZ2P All-electron 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        
S   1
  1      0.0685000              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        
P   1
  1      0.0487000              1.0000000        
D   1
  1      0.4100000              1.0000000        
D   1
  1      1.2540000              1.0000000        
D   1
  1      0.1690000              1.0000000        
F   1
  1      0.8900000              1.0000000        
F   1
  1      0.4060000              1.0000000


name: aug-cc-pVTZ-DK
description: VTZ2P All-electron 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        
S   1
  1      0.0111000              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        
P   1
  1      0.0106600              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        
D   1
  1      0.0124400              1.0000000        
F   1
  1      0.7126000              1.0000000        
F   1
  1      0.1636000              1.0000000        
F   1
  1      0.0406300              1.0000000        
G   1
  1      0.4112000              1.0000000        
G   1
  1      0.0947300              1.0000000


name: aug-cc-pVTZ-DK
description: VTZ2P All-electron 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        
S   1
  1      0.0117300              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        
P   1
  1      0.0117200              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        
D   1
  1      0.0171200              1.0000000        
F   1
  1      1.2274000              1.0000000        
F   1
  1      0.2788000              1.0000000        
F   1
  1      0.0806900              1.0000000        
G   1
  1      0.7092000              1.0000000        
G   1
  1      0.2041300              1.0000000


name: aug-cc-pVTZ-DK
description: VTZ2P All-electron 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        
S   1
  1      0.0123200              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        
P   1
  1      0.0124000              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        
D   1
  1      0.0224000              1.0000000        
F   1
  1      1.7488000              1.0000000        
F   1
  1      0.4057000              1.0000000        
F   1
  1      0.1281300              1.0000000        
G   1
  1      1.1127000              1.0000000        
G   1
  1      0.3721200              1.0000000


name: aug-cc-pVTZ-DK
description: VTZ2P All-electron 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        
S   1
  1      0.0124700              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        
P   1
  1      0.0130700              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        
D   1
  1      0.0249800              1.0000000        
F   1
  1      2.2211000              1.0000000        
F   1
  1      0.5231000              1.0000000        
F   1
  1      0.1724900              1.0000000        
G   1
  1      1.4199000              1.0000000        
G   1
  1      0.4989600              1.0000000


name: aug-cc-pVTZ-DK
description: VTZ2P All-electron 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        
S   1
  1      0.0133500              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        
P   1
  1      0.0137600              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        
D   1
  1      0.0285300              1.0000000        
F   1
  1      2.7032000              1.0000000        
F   1
  1      0.6438000              1.0000000        
F   1
  1      0.2176400              1.0000000        
G   1
  1      1.7022000              1.0000000        
G   1
  1      0.6143600              1.0000000


name: aug-cc-pVTZ-DK
description: VTZ2P All-electron 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        
S   1
  1      0.0140100              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        
P   1
  1      0.0140100              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        
D   1
  1      0.0321600              1.0000000        
F   1
  1      3.2243000              1.0000000        
F   1
  1      0.7758000              1.0000000        
F   1
  1      0.2672300              1.0000000        
G   1
  1      2.0515000              1.0000000        
G   1
  1      0.7642600              1.0000000


