# all_value

name: aug-cc-pVQZ-DK
description: VQZPD All-electron Douglas-Kroll Valence Quadruple Zeta + Polarization
elt: Sc
data:
SCANDIUM
S   21
  1 8417909.0000000             0.0000450        
  2 1260312.0000000             0.0001300        
  3 286798.4000000              0.0003520        
  4  81234.6900000              0.0008820        
  5  26503.1100000              0.0021990        
  6   9568.7010000              0.0055320        
  7   3732.4970000              0.0140830        
  8   1548.4220000              0.0350930        
  9    675.5420000              0.0814300        
 10    307.2522000              0.1645690        
 11    144.6672000              0.2626320        
 12     70.0438700              0.2731620        
 13     34.3225000              0.1412160        
 14     15.6122400              0.0704600        
 15      7.7437220              0.1249190        
 16      3.8442600              0.0881650        
 17      1.7197660              0.0113260        
 18      0.8325230             -0.0004190        
 19      0.3855640              0.0001250        
 20      0.0967000             -0.0000430        
 21      0.0477780              0.0000400        
S   21
  1 8417909.0000000            -0.0000260        
  2 1260312.0000000            -0.0000750        
  3 286798.4000000             -0.0002020        
  4  81234.6900000             -0.0005070        
  5  26503.1100000             -0.0012640        
  6   9568.7010000             -0.0031910        
  7   3732.4970000             -0.0081610        
  8   1548.4220000             -0.0206010        
  9    675.5420000             -0.0489160        
 10    307.2522000             -0.1043990        
 11    144.6672000             -0.1854760        
 12     70.0438700             -0.2443340        
 13     34.3225000             -0.1538870        
 14     15.6122400              0.1868870        
 15      7.7437220              0.5333670        
 16      3.8442600              0.3687560        
 17      1.7197660              0.0495060        
 18      0.8325230             -0.0039720        
 19      0.3855640              0.0001950        
 20      0.0967000             -0.0003590        
 21      0.0477780              0.0002880        
S   21
  1 8417909.0000000             0.0000050        
  2 1260312.0000000             0.0000150        
  3 286798.4000000              0.0000400        
  4  81234.6900000              0.0001000        
  5  26503.1100000              0.0002490        
  6   9568.7010000              0.0006330        
  7   3732.4970000              0.0016220        
  8   1548.4220000              0.0041490        
  9    675.5420000              0.0100150        
 10    307.2522000              0.0224020        
 11    144.6672000              0.0427710        
 12     70.0438700              0.0651430        
 13     34.3225000              0.0450750        
 14     15.6122400             -0.0858650        
 15      7.7437220             -0.3310660        
 16      3.8442600             -0.3584680        
 17      1.7197660              0.2210450        
 18      0.8325230              0.6853970        
 19      0.3855640              0.3601480        
 20      0.0967000              0.0191690        
 21      0.0477780             -0.0058640        
S   21
  1 8417909.0000000            -0.0000010        
  2 1260312.0000000            -0.0000040        
  3 286798.4000000             -0.0000100        
  4  81234.6900000             -0.0000240        
  5  26503.1100000             -0.0000600        
  6   9568.7010000             -0.0001530        
  7   3732.4970000             -0.0003920        
  8   1548.4220000             -0.0010030        
  9    675.5420000             -0.0024210        
 10    307.2522000             -0.0054190        
 11    144.6672000             -0.0103610        
 12     70.0438700             -0.0158320        
 13     34.3225000             -0.0110030        
 14     15.6122400              0.0211590        
 15      7.7437220              0.0853750        
 16      3.8442600              0.0964150        
 17      1.7197660             -0.0709410        
 18      0.8325230             -0.2398400        
 19      0.3855640             -0.2720170        
 20      0.0967000              0.3127010        
 21      0.0477780              0.6137670        
S   21
  1 8417909.0000000            -0.0000020        
  2 1260312.0000000            -0.0000060        
  3 286798.4000000             -0.0000170        
  4  81234.6900000             -0.0000420        
  5  26503.1100000             -0.0001030        
  6   9568.7010000             -0.0002720        
  7   3732.4970000             -0.0006550        
  8   1548.4220000             -0.0018210        
  9    675.5420000             -0.0039590        
 10    307.2522000             -0.0101080        
 11    144.6672000             -0.0162010        
 12     70.0438700             -0.0318930        
 13     34.3225000             -0.0102390        
 14     15.6122400              0.0155450        
 15      7.7437220              0.2031530        
 16      3.8442600              0.0891500        
 17      1.7197660              0.0262840        
 18      0.8325230             -0.9642330        
 19      0.3855640              0.2264090        
 20      0.0967000              2.0955710        
 21      0.0477780             -1.1942840        
S   21
  1 8417909.0000000            -0.0000030        
  2 1260312.0000000            -0.0000100        
  3 286798.4000000             -0.0000260        
  4  81234.6900000             -0.0000670        
  5  26503.1100000             -0.0001600        
  6   9568.7010000             -0.0004350        
  7   3732.4970000             -0.0010050        
  8   1548.4220000             -0.0029490        
  9    675.5420000             -0.0059720        
 10    307.2522000             -0.0166370        
 11    144.6672000             -0.0236840        
 12     70.0438700             -0.0549230        
 13     34.3225000             -0.0072170        
 14     15.6122400              0.0034090        
 15      7.7437220              0.3895120        
 16      3.8442600              0.0925470        
 17      1.7197660             -0.0164440        
 18      0.8325230             -2.3078390        
 19      0.3855640              2.7174500        
 20      0.0967000              0.0384980        
 21      0.0477780             -2.5297130        
S   21
  1 8417909.0000000            -0.0000040        
  2 1260312.0000000            -0.0000100        
  3 286798.4000000             -0.0000280        
  4  81234.6900000             -0.0000700        
  5  26503.1100000             -0.0001810        
  6   9568.7010000             -0.0004320        
  7   3732.4970000             -0.0012120        
  8   1548.4220000             -0.0027520        
  9    675.5420000             -0.0077240        
 10    307.2522000             -0.0142930        
 11    144.6672000             -0.0351350        
 12     70.0438700             -0.0368140        
 13     34.3225000             -0.0559630        
 14     15.6122400              0.1117600        
 15      7.7437220              0.2141660        
 16      3.8442600              0.6131590        
 17      1.7197660             -1.4758760        
 18      0.8325230             -0.6976530        
 19      0.3855640              2.9768830        
 20      0.0967000             -5.7468710        
 21      0.0477780              6.9531630        
S   1
  1      0.0223630              1.0000000        
S   1
  1      0.0104700              1.0000000        
P   17
  1  22640.9700000              0.0000390        
  2   5357.5450000              0.0001730        
  3   1740.3730000              0.0007840        
  4    666.6163000              0.0031410        
  5    283.6384000              0.0111150        
  6    129.7976000              0.0338110        
  7     62.6795600              0.0871300        
  8     31.5044100              0.1810660        
  9     16.2352500              0.2894700        
 10      8.5183240              0.3269550        
 11      4.5190050              0.2089190        
 12      2.3665910              0.0541810        
 13      1.2152350              0.0016720        
 14      0.6143480             -0.0015710        
 15      0.3007450             -0.0010160        
 16      0.1258340             -0.0000590        
 17      0.0547190             -0.0000200        
P   17
  1  22640.9700000             -0.0000130        
  2   5357.5450000             -0.0000570        
  3   1740.3730000             -0.0002570        
  4    666.6163000             -0.0010350        
  5    283.6384000             -0.0036790        
  6    129.7976000             -0.0113360        
  7     62.6795600             -0.0298480        
  8     31.5044100             -0.0640540        
  9     16.2352500             -0.1060770        
 10      8.5183240             -0.1280140        
 11      4.5190050             -0.0515380        
 12      2.3665910              0.1753060        
 13      1.2152350              0.3929150        
 14      0.6143480              0.3955600        
 15      0.3007450              0.1755030        
 16      0.1258340              0.0190220        
 17      0.0547190              0.0000740        
P   17
  1  22640.9700000             -0.0000030        
  2   5357.5450000             -0.0000140        
  3   1740.3730000             -0.0000630        
  4    666.6163000             -0.0002520        
  5    283.6384000             -0.0009000        
  6    129.7976000             -0.0027610        
  7     62.6795600             -0.0073230        
  8     31.5044100             -0.0156550        
  9     16.2352500             -0.0262660        
 10      8.5183240             -0.0315690        
 11      4.5190050             -0.0120800        
 12      2.3665910              0.0527840        
 13      1.2152350              0.1138130        
 14      0.6143480              0.1457620        
 15      0.3007450              0.0132030        
 16      0.1258340             -0.3522610        
 17      0.0547190             -0.5500870        
P   17
  1  22640.9700000              0.0000040        
  2   5357.5450000              0.0000170        
  3   1740.3730000              0.0000760        
  4    666.6163000              0.0003070        
  5    283.6384000              0.0010930        
  6    129.7976000              0.0033720        
  7     62.6795600              0.0088800        
  8     31.5044100              0.0191230        
  9     16.2352500              0.0317460        
 10      8.5183240              0.0387620        
 11      4.5190050              0.0146420        
 12      2.3665910             -0.0606900        
 13      1.2152350             -0.1356270        
 14      0.6143480             -0.1751720        
 15      0.3007450             -0.0771000        
 16      0.1258340              0.5646910        
 17      0.0547190              0.5410650        
P   17
  1  22640.9700000              0.0000080        
  2   5357.5450000              0.0000330        
  3   1740.3730000              0.0001590        
  4    666.6163000              0.0005920        
  5    283.6384000              0.0022770        
  6    129.7976000              0.0064620        
  7     62.6795600              0.0186080        
  8     31.5044100              0.0360080        
  9     16.2352500              0.0694180        
 10      8.5183240              0.0707610        
 11      4.5190050              0.0575890        
 12      2.3665910             -0.1767470        
 13      1.2152350             -0.3333020        
 14      0.6143480             -0.5698890        
 15      0.3007450              1.1782580        
 16      0.1258340              0.5507190        
 17      0.0547190             -0.9782210        
P   17
  1  22640.9700000             -0.0000090        
  2   5357.5450000             -0.0000440        
  3   1740.3730000             -0.0001670        
  4    666.6163000             -0.0008330        
  5    283.6384000             -0.0023500        
  6    129.7976000             -0.0091880        
  7     62.6795600             -0.0185450        
  8     31.5044100             -0.0537550        
  9     16.2352500             -0.0596530        
 10      8.5183240             -0.1569490        
 11      4.5190050              0.0129350        
 12      2.3665910              0.0894440        
 13      1.2152350              1.2768110        
 14      0.6143480             -1.0591470        
 15      0.3007450             -1.3241720        
 16      0.1258340              2.3680990        
 17      0.0547190             -1.1750710        
P   1
  1      0.0234880              1.0000000        
P   1
  1      0.0100800              1.0000000        
D   10
  1    148.0280000              0.0004900        
  2     43.8528000              0.0041290        
  3     16.6646000              0.0186860        
  4      6.9789300              0.0578540        
  5      3.1236900              0.1370780        
  6      1.4468700              0.2310160        
  7      0.6674070              0.2956830        
  8      0.3016330              0.3047830        
  9      0.1326740              0.2399250        
 10      0.0567390              0.1100890        
D   10
  1    148.0280000             -0.0005030        
  2     43.8528000             -0.0042440        
  3     16.6646000             -0.0192830        
  4      6.9789300             -0.0603550        
  5      3.1236900             -0.1437060        
  6      1.4468700             -0.2301500        
  7      0.6674070             -0.2631470        
  8      0.3016330             -0.0555990        
  9      0.1326740              0.4054920        
 10      0.0567390              0.4846050        
D   10
  1    148.0280000             -0.0006520        
  2     43.8528000             -0.0054270        
  3     16.6646000             -0.0252250        
  4      6.9789300             -0.0772000        
  5      3.1236900             -0.1898980        
  6      1.4468700             -0.2877690        
  7      0.6674070             -0.1763680        
  8      0.3016330              0.5992450        
  9      0.1326740              0.5002360        
 10      0.0567390             -0.6733890        
D   10
  1    148.0280000              0.0008350        
  2     43.8528000              0.0083830        
  3     16.6646000              0.0331020        
  4      6.9789300              0.1257230        
  5      3.1236900              0.2477730        
  6      1.4468700              0.4535390        
  7      0.6674070             -0.5351160        
  8      0.3016330             -0.8932680        
  9      0.1326740              1.4396580        
 10      0.0567390             -0.4547520        
D   1
  1      0.0231750              1.0000000        
D   1
  1      0.0094700              1.0000000        
F   1
  1      1.3905000              1.0000000        
F   1
  1      0.3921000              1.0000000        
F   1
  1      0.1106000              1.0000000        
F   1
  1      0.0306700              1.0000000        
G   1
  1      0.9757000              1.0000000        
G   1
  1      0.2530000              1.0000000        
G   1
  1      0.0706000              1.0000000        
H   1
  1      0.4934000              1.0000000        
H   1
  1      0.1193100              1.0000000


name: aug-cc-pVQZ-DK
description: VQZPD All-electron Douglas-Kroll Valence Quadruple Zeta + Polarization
elt: Ti
data:
TITANIUM
S   21
  1 9317034.0000000             0.0000480        
  2 1394971.0000000             0.0001370        
  3 317453.1000000              0.0003690        
  4  89921.0000000              0.0009180        
  5  29338.1600000              0.0022650        
  6  10592.6600000              0.0056370        
  7   4132.0560000              0.0142060        
  8   1714.2350000              0.0351600        
  9    747.9151000              0.0813360        
 10    340.1991000              0.1643130        
 11    160.2060000              0.2627320        
 12     77.5885100              0.2747630        
 13     38.0448900              0.1433810        
 14     17.3536200              0.0699260        
 15      8.6420620              0.1217330        
 16      4.3044040              0.0854080        
 17      1.9377180              0.0109570        
 18      0.9365940             -0.0003620        
 19      0.4326240              0.0000950        
 20      0.1073520             -0.0000310        
 21      0.0520340              0.0000390        
S   21
  1 9317034.0000000            -0.0000270        
  2 1394971.0000000            -0.0000780        
  3 317453.1000000             -0.0002090        
  4  89921.0000000             -0.0005220        
  5  29338.1600000             -0.0012900        
  6  10592.6600000             -0.0032220        
  7   4132.0560000             -0.0081580        
  8   1714.2350000             -0.0204590        
  9    747.9151000             -0.0484440        
 10    340.1991000             -0.1033990        
 11    160.2060000             -0.1841860        
 12     77.5885100             -0.2439660        
 13     38.0448900             -0.1550920        
 14     17.3536200              0.1879170        
 15      8.6420620              0.5361260        
 16      4.3044040              0.3679910        
 17      1.9377180              0.0494090        
 18      0.9365940             -0.0038250        
 19      0.4326240              0.0000870        
 20      0.1073520             -0.0003080        
 21      0.0520340              0.0002850        
S   21
  1 9317034.0000000             0.0000060        
  2 1394971.0000000             0.0000160        
  3 317453.1000000              0.0000430        
  4  89921.0000000              0.0001060        
  5  29338.1600000              0.0002630        
  6  10592.6600000              0.0006590        
  7   4132.0560000              0.0016720        
  8   1714.2350000              0.0042500        
  9    747.9151000              0.0102280        
 10    340.1991000              0.0228630        
 11    160.2060000              0.0437150        
 12     77.5885100              0.0667600        
 13     38.0448900              0.0466230        
 14     17.3536200             -0.0882470        
 15      8.6420620             -0.3414970        
 16      4.3044040             -0.3594440        
 17      1.9377180              0.2370220        
 18      0.9365940              0.6874350        
 19      0.4326240              0.3500250        
 20      0.1073520              0.0179040        
 21      0.0520340             -0.0054380        
S   21
  1 9317034.0000000            -0.0000010        
  2 1394971.0000000            -0.0000040        
  3 317453.1000000             -0.0000100        
  4  89921.0000000             -0.0000250        
  5  29338.1600000             -0.0000620        
  6  10592.6600000             -0.0001560        
  7   4132.0560000             -0.0003970        
  8   1714.2350000             -0.0010080        
  9    747.9151000             -0.0024260        
 10    340.1991000             -0.0054310        
 11    160.2060000             -0.0103860        
 12     77.5885100             -0.0159460        
 13     38.0448900             -0.0111360        
 14     17.3536200              0.0212810        
 15      8.6420620              0.0868200        
 16      4.3044040              0.0946190        
 17      1.9377180             -0.0736970        
 18      0.9365940             -0.2412180        
 19      0.4326240             -0.2563650        
 20      0.1073520              0.3168670        
 21      0.0520340              0.6062010        
S   21
  1 9317034.0000000            -0.0000020        
  2 1394971.0000000            -0.0000070        
  3 317453.1000000             -0.0000190        
  4  89921.0000000             -0.0000470        
  5  29338.1600000             -0.0001140        
  6  10592.6600000             -0.0002980        
  7   4132.0560000             -0.0007100        
  8   1714.2350000             -0.0019660        
  9    747.9151000             -0.0042390        
 10    340.1991000             -0.0108910        
 11    160.2060000             -0.0173170        
 12     77.5885100             -0.0346520        
 13     38.0448900             -0.0106910        
 14     17.3536200              0.0155810        
 15      8.6420620              0.2245120        
 16      4.3044040              0.0886640        
 17      1.9377180              0.0159690        
 18      0.9365940             -1.0519990        
 19      0.4326240              0.3677290        
 20      0.1073520              2.0024320        
 21      0.0520340             -1.2263140        
S   21
  1 9317034.0000000            -0.0000040        
  2 1394971.0000000            -0.0000110        
  3 317453.1000000             -0.0000290        
  4  89921.0000000             -0.0000740        
  5  29338.1600000             -0.0001770        
  6  10592.6600000             -0.0004720        
  7   4132.0560000             -0.0010940        
  8   1714.2350000             -0.0031320        
  9    747.9151000             -0.0064710        
 10    340.1991000             -0.0175340        
 11    160.2060000             -0.0259950        
 12     77.5885100             -0.0574830        
 13     38.0448900             -0.0112000        
 14     17.3536200              0.0114700        
 15      8.6420620              0.4086420        
 16      4.3044040              0.1257640        
 17      1.9377180             -0.1612930        
 18      0.9365940             -2.2350150        
 19      0.4326240              2.8573850        
 20      0.1073520             -0.4826880        
 21      0.0520340             -1.8788870        
S   21
  1 9317034.0000000            -0.0000040        
  2 1394971.0000000            -0.0000120        
  3 317453.1000000             -0.0000330        
  4  89921.0000000             -0.0000800        
  5  29338.1600000             -0.0002080        
  6  10592.6600000             -0.0004770        
  7   4132.0560000             -0.0013800        
  8   1714.2350000             -0.0029340        
  9    747.9151000             -0.0088360        
 10    340.1991000             -0.0148350        
 11    160.2060000             -0.0412370        
 12     77.5885100             -0.0353130        
 13     38.0448900             -0.0745600        
 14     17.3536200              0.1566220        
 15      8.6420620              0.1970970        
 16      4.3044040              0.7633560        
 17      1.9377180             -2.1344110        
 18      0.9365940              0.4049510        
 19      0.4326240              2.1153220        
 20      0.1073520             -5.0821820        
 21      0.0520340              6.4423500        
S   1
  1      0.0240380              1.0000000        
S   1
  1      0.0111000              1.0000000        
P   17
  1  25537.3300000              0.0000410        
  2   6042.2430000              0.0001750        
  3   1962.6530000              0.0007800        
  4    751.7338000              0.0030920        
  5    319.8833000              0.0109090        
  6    146.4300000              0.0332110        
  7     70.7486100              0.0858830        
  8     35.5908800              0.1795240        
  9     18.3689300              0.2888880        
 10      9.6586550              0.3276960        
 11      5.1367300              0.2100700        
 12      2.6988720              0.0549250        
 13      1.3897030              0.0018240        
 14      0.7031630             -0.0015830        
 15      0.3441230             -0.0010010        
 16      0.1413750             -0.0000600        
 17      0.0607910             -0.0000160        
P   17
  1  25537.3300000             -0.0000140        
  2   6042.2430000             -0.0000590        
  3   1962.6530000             -0.0002620        
  4    751.7338000             -0.0010410        
  5    319.8833000             -0.0036910        
  6    146.4300000             -0.0113840        
  7     70.7486100             -0.0300860        
  8     35.5908800             -0.0650050        
  9     18.3689300             -0.1085090        
 10      9.6586550             -0.1312330        
 11      5.1367300             -0.0513800        
 12      2.6988720              0.1797250        
 13      1.3897030              0.3962200        
 14      0.7031630              0.3915750        
 15      0.3441230              0.1730820        
 16      0.1413750              0.0188130        
 17      0.0607910             -0.0002960        
P   17
  1  25537.3300000              0.0000030        
  2   6042.2430000              0.0000140        
  3   1962.6530000              0.0000630        
  4    751.7338000              0.0002490        
  5    319.8833000              0.0008880        
  6    146.4300000              0.0027250        
  7     70.7486100              0.0072650        
  8     35.5908800              0.0156150        
  9     18.3689300              0.0264500        
 10      9.6586550              0.0317660        
 11      5.1367300              0.0120800        
 12      2.6988720             -0.0532040        
 13      1.3897030             -0.1129400        
 14      0.7031630             -0.1429220        
 15      0.3441230             -0.0096270        
 16      0.1413750              0.3540680        
 17      0.0607910              0.5482170        
P   17
  1  25537.3300000              0.0000040        
  2   6042.2430000              0.0000180        
  3   1962.6530000              0.0000790        
  4    751.7338000              0.0003140        
  5    319.8833000              0.0011130        
  6    146.4300000              0.0034320        
  7     70.7486100              0.0090940        
  8     35.5908800              0.0196660        
  9     18.3689300              0.0330480        
 10      9.6586550              0.0402020        
 11      5.1367300              0.0150120        
 12      2.6988720             -0.0640970        
 13      1.3897030             -0.1398750        
 14      0.7031630             -0.1795270        
 15      0.3441230             -0.0499880        
 16      0.1413750              0.5710180        
 17      0.0607910              0.5224460        
P   17
  1  25537.3300000              0.0000080        
  2   6042.2430000              0.0000340        
  3   1962.6530000              0.0001610        
  4    751.7338000              0.0005930        
  5    319.8833000              0.0022830        
  6    146.4300000              0.0064630        
  7     70.7486100              0.0187630        
  8     35.5908800              0.0364410        
  9     18.3689300              0.0710110        
 10      9.6586550              0.0710910        
 11      5.1367300              0.0583500        
 12      2.6988720             -0.1859340        
 13      1.3897030             -0.3293680        
 14      0.7031630             -0.5446980        
 15      0.3441230              1.1603920        
 16      0.1413750              0.5310260        
 17      0.0607910             -0.9673130        
P   17
  1  25537.3300000             -0.0000100        
  2   6042.2430000             -0.0000450        
  3   1962.6530000             -0.0001770        
  4    751.7338000             -0.0008240        
  5    319.8833000             -0.0024550        
  6    146.4300000             -0.0090560        
  7     70.7486100             -0.0196030        
  8     35.5908800             -0.0531680        
  9     18.3689300             -0.0659310        
 10      9.6586550             -0.1487020        
 11      5.1367300             -0.0224680        
 12      2.6988720              0.1803870        
 13      1.3897030              1.1704710        
 14      0.7031630             -1.0091870        
 15      0.3441230             -1.2804130        
 16      0.1413750              2.2836230        
 17      0.0607910             -1.1335330        
P   1
  1      0.0258310              1.0000000        
P   1
  1      0.0109800              1.0000000        
D   10
  1    199.9720000              0.0003870        
  2     59.1869000              0.0033620        
  3     22.6013000              0.0161370        
  4      9.5739100              0.0519050        
  5      4.3177100              0.1286240        
  6      2.0237300              0.2291190        
  7      0.9471690              0.3019170        
  8      0.4338770              0.3096490        
  9      0.1921260              0.2346190        
 10      0.0814040              0.1048760        
D   10
  1    199.9720000             -0.0003950        
  2     59.1869000             -0.0034330        
  3     22.6013000             -0.0165460        
  4      9.5739100             -0.0538430        
  5      4.3177100             -0.1356220        
  6      2.0237300             -0.2281990        
  7      0.9471690             -0.2563190        
  8      0.4338770             -0.0539210        
  9      0.1921260              0.3874070        
 10      0.0814040              0.4995520        
D   10
  1    199.9720000             -0.0006270        
  2     59.1869000             -0.0054590        
  3     22.6013000             -0.0266700        
  4      9.5739100             -0.0882250        
  5      4.3177100             -0.2246980        
  6      2.0237300             -0.3285440        
  7      0.9471690             -0.1158350        
  8      0.4338770              0.6164880        
  9      0.1921260              0.4178460        
 10      0.0814040             -0.6084680        
D   10
  1    199.9720000             -0.0007040        
  2     59.1869000             -0.0070290        
  3     22.6013000             -0.0306810        
  4      9.5739100             -0.1179840        
  5      4.3177100             -0.2736880        
  6      2.0237300             -0.3822080        
  7      0.9471690              0.5416700        
  8      0.4338770              0.7650710        
  9      0.1921260             -1.2834360        
 10      0.0814040              0.2757400        
D   1
  1      0.0322330              1.0000000        
D   1
  1      0.0127600              1.0000000        
F   1
  1      2.2331000              1.0000000        
F   1
  1      0.6332000              1.0000000        
F   1
  1      0.1796000              1.0000000        
F   1
  1      0.0544900              1.0000000        
G   1
  1      1.5503000              1.0000000        
G   1
  1      0.3947000              1.0000000        
G   1
  1      0.1231300              1.0000000        
H   1
  1      0.8524000              1.0000000        
H   1
  1      0.2625300              1.0000000


name: aug-cc-pVQZ-DK
description: VQZPD All-electron Douglas-Kroll Valence Quadruple Zeta + Polarization
elt: V
data:
VANADIUM
S   21
  1 10251780.0000000            0.0000510        
  2 1534920.0000000             0.0001450        
  3 349300.9000000              0.0003880        
  4  98942.0500000              0.0009590        
  5  32281.3600000              0.0023460        
  6  11655.2700000              0.0057780        
  7   4546.5480000              0.0144180        
  8   1886.1850000              0.0354410        
  9    822.9417000              0.0817150        
 10    374.3439000              0.1649650        
 11    176.3069000              0.2641750        
 12     85.4066100              0.2776330        
 13     41.9043500              0.1460600        
 14     19.1552500              0.0683250        
 15      9.5716170              0.1153650        
 16      4.7800860              0.0802700        
 17      2.1618600              0.0102060        
 18      1.0427110             -0.0003070        
 19      0.4802820              0.0000610        
 20      0.1176380             -0.0000200        
 21      0.0561740              0.0000370        
S   21
  1 10251780.0000000           -0.0000280        
  2 1534920.0000000            -0.0000800        
  3 349300.9000000             -0.0002150        
  4  98942.0500000             -0.0005330        
  5  32281.3600000             -0.0013050        
  6  11655.2700000             -0.0032250        
  7   4546.5480000             -0.0080890        
  8   1886.1850000             -0.0201520        
  9    822.9417000             -0.0475820        
 10    374.3439000             -0.1015860        
 11    176.3069000             -0.1814790        
 12     85.4066100             -0.2418400        
 13     41.9043500             -0.1546910        
 14     19.1552500              0.1906220        
 15      9.5716170              0.5397270        
 16      4.7800860              0.3667050        
 17      2.1618600              0.0489360        
 18      1.0427110             -0.0037570        
 19      0.4802820             -0.0000410        
 20      0.1176380             -0.0002620        
 21      0.0561740              0.0002880        
S   21
  1 10251780.0000000            0.0000060        
  2 1534920.0000000             0.0000170        
  3 349300.9000000              0.0000450        
  4  98942.0500000              0.0001130        
  5  32281.3600000              0.0002760        
  6  11655.2700000              0.0006850        
  7   4546.5480000              0.0017220        
  8   1886.1850000              0.0043460        
  9    822.9417000              0.0104260        
 10    374.3439000              0.0232820        
 11    176.3069000              0.0445480        
 12     85.4066100              0.0681470        
 13     41.9043500              0.0477830        
 14     19.1552500             -0.0909640        
 15      9.5716170             -0.3509110        
 16      4.7800860             -0.3582080        
 17      2.1618600              0.2523820        
 18      1.0427110              0.6881350        
 19      0.4802820              0.3404340        
 20      0.1176380              0.0167320        
 21      0.0561740             -0.0049670        
S   21
  1 10251780.0000000           -0.0000010        
  2 1534920.0000000            -0.0000040        
  3 349300.9000000             -0.0000110        
  4  98942.0500000             -0.0000260        
  5  32281.3600000             -0.0000640        
  6  11655.2700000             -0.0001590        
  7   4546.5480000             -0.0004010        
  8   1886.1850000             -0.0010120        
  9    822.9417000             -0.0024260        
 10    374.3439000             -0.0054310        
 11    176.3069000             -0.0103840        
 12     85.4066100             -0.0159960        
 13     41.9043500             -0.0111760        
 14     19.1552500              0.0214850        
 15      9.5716170              0.0878790        
 16      4.7800860              0.0922920        
 17      2.1618600             -0.0762840        
 18      1.0427110             -0.2409190        
 19      0.4802820             -0.2425420        
 20      0.1176380              0.3201900        
 21      0.0561740              0.5991660        
S   21
  1 10251780.0000000           -0.0000030        
  2 1534920.0000000            -0.0000080        
  3 349300.9000000             -0.0000200        
  4  98942.0500000             -0.0000510        
  5  32281.3600000             -0.0001220        
  6  11655.2700000             -0.0003180        
  7   4546.5480000             -0.0007480        
  8   1886.1850000             -0.0020610        
  9    822.9417000             -0.0044150        
 10    374.3439000             -0.0113810        
 11    176.3069000             -0.0180080        
 12     85.4066100             -0.0363880        
 13     41.9043500             -0.0109160        
 14     19.1552500              0.0158660        
 15      9.5716170              0.2385610        
 16      4.7800860              0.0861270        
 17      2.1618600              0.0045110        
 18      1.0427110             -1.0936470        
 19      0.4802820              0.4530570        
 20      0.1176380              1.9309090        
 21      0.0561740             -1.2327630        
S   21
  1 10251780.0000000           -0.0000040        
  2 1534920.0000000            -0.0000120        
  3 349300.9000000             -0.0000320        
  4  98942.0500000             -0.0000810        
  5  32281.3600000             -0.0001910        
  6  11655.2700000             -0.0005020        
  7   4546.5480000             -0.0011630        
  8   1886.1850000             -0.0032710        
  9    822.9417000             -0.0068350        
 10    374.3439000             -0.0181850        
 11    176.3069000             -0.0276530        
 12     85.4066100             -0.0593360        
 13     41.9043500             -0.0139910        
 14     19.1552500              0.0177810        
 15      9.5716170              0.4239440        
 16      4.7800860              0.1443250        
 17      2.1618600             -0.2717610        
 18      1.0427110             -2.1448410        
 19      0.4802820              2.9061280        
 20      0.1176380             -0.7881850        
 21      0.0561740             -1.4659060        
S   21
  1 10251780.0000000           -0.0000050        
  2 1534920.0000000            -0.0000140        
  3 349300.9000000             -0.0000370        
  4  98942.0500000             -0.0000890        
  5  32281.3600000             -0.0002320        
  6  11655.2700000             -0.0005200        
  7   4546.5480000             -0.0015180        
  8   1886.1850000             -0.0031210        
  9    822.9417000             -0.0096880        
 10    374.3439000             -0.0155290        
 11    176.3069000             -0.0457170        
 12     85.4066100             -0.0354600        
 13     41.9043500             -0.0871400        
 14     19.1552500              0.1876050        
 15      9.5716170              0.2022650        
 16      4.7800860              0.8408220        
 17      2.1618600             -2.5807070        
 18      1.0427110              1.1903460        
 19      0.4802820              1.4732050        
 20      0.1176380             -4.5441610        
 21      0.0561740              5.9967610        
S   1
  1      0.0256610              1.0000000        
S   1
  1      0.0117200              1.0000000        
P   17
  1  28563.3200000              0.0000430        
  2   6757.1910000              0.0001780        
  3   2194.6520000              0.0007810        
  4    840.5257000              0.0030620        
  5    357.6666000              0.0107680        
  6    163.7534000              0.0327920        
  7     79.1446600              0.0850360        
  8     39.8385800              0.1785820        
  9     20.5853600              0.2887830        
 10     10.8430700              0.3282520        
 11      5.7779690              0.2104570        
 12      3.0431700              0.0551900        
 13      1.5702390              0.0018830        
 14      0.7949750             -0.0016270        
 15      0.3889800             -0.0010070        
 16      0.1573350             -0.0000620        
 17      0.0665830             -0.0000130        
P   17
  1  28563.3200000             -0.0000150        
  2   6757.1910000             -0.0000610        
  3   2194.6520000             -0.0002670        
  4    840.5257000             -0.0010490        
  5    357.6666000             -0.0037070        
  6    163.7534000             -0.0114380        
  7     79.1446600             -0.0303200        
  8     39.8385800             -0.0658710        
  9     20.5853600             -0.1106360        
 10     10.8430700             -0.1337960        
 11      5.7779690             -0.0504700        
 12      3.0431700              0.1841380        
 13      1.5702390              0.3986760        
 14      0.7949750              0.3877830        
 15      0.3889800              0.1710070        
 16      0.1573350              0.0185650        
 17      0.0665830             -0.0005590        
P   17
  1  28563.3200000              0.0000040        
  2   6757.1910000              0.0000150        
  3   2194.6520000              0.0000650        
  4    840.5257000              0.0002520        
  5    357.6666000              0.0008980        
  6    163.7534000              0.0027560        
  7     79.1446600              0.0073760        
  8     39.8385800              0.0159330        
  9     20.5853600              0.0271950        
 10     10.8430700              0.0325940        
 11      5.7779690              0.0118210        
 12      3.0431700             -0.0558370        
 13      1.5702390             -0.1156350        
 14      0.7949750             -0.1386370        
 15      0.3889800              0.0022130        
 16      0.1573350              0.3520420        
 17      0.0665830              0.5411560        
P   17
  1  28563.3200000              0.0000040        
  2   6757.1910000              0.0000180        
  3   2194.6520000              0.0000810        
  4    840.5257000              0.0003180        
  5    357.6666000              0.0011240        
  6    163.7534000              0.0034680        
  7     79.1446600              0.0092140        
  8     39.8385800              0.0200460        
  9     20.5853600              0.0338840        
 10     10.8430700              0.0412880        
 11      5.7779690              0.0147000        
 12      3.0431700             -0.0662180        
 13      1.5702390             -0.1436870        
 14      0.7949750             -0.1780180        
 15      0.3889800             -0.0335830        
 16      0.1573350              0.5764400        
 17      0.0665830              0.5110710        
P   17
  1  28563.3200000              0.0000090        
  2   6757.1910000              0.0000360        
  3   2194.6520000              0.0001680        
  4    840.5257000              0.0006150        
  5    357.6666000              0.0023560        
  6    163.7534000              0.0066770        
  7     79.1446600              0.0194410        
  8     39.8385800              0.0380200        
  9     20.5853600              0.0743940        
 10     10.8430700              0.0746660        
 11      5.7779690              0.0596980        
 12      3.0431700             -0.2028460        
 13      1.5702390             -0.3467910        
 14      0.7949750             -0.4971730        
 15      0.3889800              1.1593020        
 16      0.1573350              0.4791120        
 17      0.0665830             -0.9455920        
P   17
  1  28563.3200000             -0.0000110        
  2   6757.1910000             -0.0000500        
  3   2194.6520000             -0.0001900        
  4    840.5257000             -0.0008750        
  5    357.6666000             -0.0026070        
  6    163.7534000             -0.0096130        
  7     79.1446600             -0.0209460        
  8     39.8385800             -0.0570950        
  9     20.5853600             -0.0712500        
 10     10.8430700             -0.1585200        
 11      5.7779690             -0.0187930        
 12      3.0431700              0.2409470        
 13      1.5702390              1.1423850        
 14      0.7949750             -1.1366200        
 15      0.3889800             -1.0774880        
 16      0.1573350              2.1602070        
 17      0.0665830             -1.1313370        
P   1
  1      0.0278440              1.0000000        
P   1
  1      0.0117200              1.0000000        
D   10
  1    244.3470000              0.0003510        
  2     72.2926000              0.0030850        
  3     27.6493000              0.0152580        
  4     11.7778000              0.0502450        
  5      5.3373100              0.1265230        
  6      2.5176000              0.2292800        
  7      1.1888100              0.3034060        
  8      0.5499670              0.3088670        
  9      0.2457380              0.2310890        
 10      0.1045040              0.1037090        
D   10
  1    244.3470000             -0.0003720        
  2     72.2926000             -0.0032770        
  3     27.6493000             -0.0162790        
  4     11.7778000             -0.0543160        
  5      5.3373100             -0.1399110        
  6      2.5176000             -0.2390000        
  7      1.1888100             -0.2538070        
  8      0.5499670             -0.0303220        
  9      0.2457380              0.3839470        
 10      0.1045040              0.4879820        
D   10
  1    244.3470000             -0.0005750        
  2     72.2926000             -0.0050770        
  3     27.6493000             -0.0255170        
  4     11.7778000             -0.0868340        
  5      5.3373100             -0.2285650        
  6      2.5176000             -0.3376560        
  7      1.1888100             -0.0917660        
  8      0.5499670              0.6199220        
  9      0.2457380              0.3937470        
 10      0.1045040             -0.6029800        
D   10
  1    244.3470000             -0.0007310        
  2     72.2926000             -0.0070950        
  3     27.6493000             -0.0331860        
  4     11.7778000             -0.1269420        
  5      5.3373100             -0.3250860        
  6      2.5176000             -0.3625000        
  7      1.1888100              0.6689130        
  8      0.5499670              0.6037430        
  9      0.2457380             -1.2164810        
 10      0.1045040              0.2817010        
D   1
  1      0.0411450              1.0000000        
D   1
  1      0.0162000              1.0000000        
F   1
  1      3.0318000              1.0000000        
F   1
  1      0.8733000              1.0000000        
F   1
  1      0.2516000              1.0000000        
F   1
  1      0.0805300              1.0000000        
G   1
  1      2.1265000              1.0000000        
G   1
  1      0.5564000              1.0000000        
G   1
  1      0.1892900              1.0000000        
H   1
  1      1.2875000              1.0000000        
H   1
  1      0.4549900              1.0000000


name: aug-cc-pVQZ-DK
description: VQZPD All-electron Douglas-Kroll Valence Quadruple Zeta + Polarization
elt: Cr
data:
CHROMIUM
S   21
  1 11016640.0000000            0.0000540        
  2 1649423.0000000             0.0001540        
  3 375358.9000000              0.0004120        
  4 106323.6000000              0.0010120        
  5  34689.7600000              0.0024600        
  6  12524.8300000              0.0060080        
  7   4885.7520000              0.0148700        
  8   2026.9180000              0.0363090        
  9    884.3645000              0.0833080        
 10    402.3170000              0.1673620        
 11    189.5271000              0.2661030        
 12     91.8609500              0.2761380        
 13     45.1247600              0.1429680        
 14     20.6251200              0.0695690        
 15     10.3197300              0.1153580        
 16      5.1577230              0.0760500        
 17      2.3126280              0.0089700        
 18      1.1030790             -0.0002630        
 19      0.4980420              0.0000710        
 20      0.1182470             -0.0000110        
 21      0.0573560              0.0000400        
S   21
  1 11016640.0000000           -0.0000300        
  2 1649423.0000000            -0.0000860        
  3 375358.9000000             -0.0002280        
  4 106323.6000000             -0.0005620        
  5  34689.7600000             -0.0013670        
  6  12524.8300000             -0.0033520        
  7   4885.7520000             -0.0083390        
  8   2026.9180000             -0.0206480        
  9    884.3645000             -0.0485430        
 10    402.3170000             -0.1032880        
 11    189.5271000             -0.1836520        
 12     91.8609500             -0.2426780        
 13     45.1247600             -0.1497000        
 14     20.6251200              0.2061910        
 15     10.3197300              0.5462950        
 16      5.1577230              0.3519330        
 17      2.3126280              0.0434510        
 18      1.1030790             -0.0034870        
 19      0.4980420              0.0000520        
 20      0.1182470             -0.0001960        
 21      0.0573560              0.0002860        
S   21
  1 11016640.0000000            0.0000060        
  2 1649423.0000000             0.0000180        
  3 375358.9000000              0.0000490        
  4 106323.6000000              0.0001210        
  5  34689.7600000              0.0002940        
  6  12524.8300000              0.0007250        
  7   4885.7520000              0.0018090        
  8   2026.9180000              0.0045400        
  9    884.3645000              0.0108370        
 10    402.3170000              0.0241590        
 11    189.5271000              0.0459620        
 12     91.8609500              0.0698970        
 13     45.1247600              0.0466910        
 14     20.6251200             -0.0999290        
 15     10.3197300             -0.3685700        
 16      5.1577230             -0.3424530        
 17      2.3126280              0.2985130        
 18      1.1030790              0.6976530        
 19      0.4980420              0.2956920        
 20      0.1182470              0.0095900        
 21      0.0573560             -0.0010750        
S   21
  1 11016640.0000000           -0.0000010        
  2 1649423.0000000            -0.0000040        
  3 375358.9000000             -0.0000110        
  4 106323.6000000             -0.0000280        
  5  34689.7600000             -0.0000670        
  6  12524.8300000             -0.0001660        
  7   4885.7520000             -0.0004120        
  8   2026.9180000             -0.0010390        
  9    884.3645000             -0.0024630        
 10    402.3170000             -0.0055480        
 11    189.5271000             -0.0104380        
 12     91.8609500             -0.0162390        
 13     45.1247600             -0.0103850        
 14     20.6251200              0.0224250        
 15     10.3197300              0.0924750        
 16      5.1577230              0.0833650        
 17      2.3126280             -0.0821470        
 18      1.1030790             -0.2590250        
 19      0.4980420             -0.2041760        
 20      0.1182470              0.3777770        
 21      0.0573560              0.5588970        
S   21
  1 11016640.0000000           -0.0000030        
  2 1649423.0000000            -0.0000080        
  3 375358.9000000             -0.0000220        
  4 106323.6000000             -0.0000550        
  5  34689.7600000             -0.0001310        
  6  12524.8300000             -0.0003380        
  7   4885.7520000             -0.0007860        
  8   2026.9180000             -0.0021660        
  9    884.3645000             -0.0045870        
 10    402.3170000             -0.0119040        
 11    189.5271000             -0.0184920        
 12     91.8609500             -0.0378720        
 13     45.1247600             -0.0093630        
 14     20.6251200              0.0177020        
 15     10.3197300              0.2547990        
 16      5.1577230              0.0707240        
 17      2.3126280             -0.0257070        
 18      1.1030790             -1.1363580        
 19      0.4980420              0.6281400        
 20      0.1182470              1.8833370        
 21      0.0573560             -1.3929490        
S   21
  1 11016640.0000000           -0.0000050        
  2 1649423.0000000            -0.0000130        
  3 375358.9000000             -0.0000350        
  4 106323.6000000             -0.0000870        
  5  34689.7600000             -0.0002080        
  6  12524.8300000             -0.0005320        
  7   4885.7520000             -0.0012540        
  8   2026.9180000             -0.0033990        
  9    884.3645000             -0.0073610        
 10    402.3170000             -0.0186100        
 11    189.5271000             -0.0301280        
 12     91.8609500             -0.0587280        
 13     45.1247600             -0.0190270        
 14     20.6251200              0.0388480        
 15     10.3197300              0.4187920        
 16      5.1577230              0.1853590        
 17      2.3126280             -0.5215690        
 18      1.1030790             -1.8075870        
 19      0.4980420              2.8725050        
 20      0.1182470             -1.3448820        
 21      0.0573560             -0.7200920        
S   21
  1 11016640.0000000           -0.0000050        
  2 1649423.0000000            -0.0000150        
  3 375358.9000000             -0.0000420        
  4 106323.6000000             -0.0000990        
  5  34689.7600000             -0.0002590        
  6  12524.8300000             -0.0005660        
  7   4885.7520000             -0.0016830        
  8   2026.9180000             -0.0033080        
  9    884.3645000             -0.0107390        
 10    402.3170000             -0.0160340        
 11    189.5271000             -0.0511580        
 12     91.8609500             -0.0331430        
 13     45.1247600             -0.1014980        
 14     20.6251200              0.2332710        
 15     10.3197300              0.2014630        
 16      5.1577230              0.8803140        
 17      2.3126280             -3.1030870        
 18      1.1030790              2.3290390        
 19      0.4980420              0.4451650        
 20      0.1182470             -3.8882070        
 21      0.0573560              5.5615460        
S   1
  1      0.0257600              1.0000000        
S   1
  1      0.0115700              1.0000000        
P   17
  1  31539.8900000              0.0000460        
  2   7460.2340000              0.0001840        
  3   2422.6220000              0.0007930        
  4    927.7547000              0.0030740        
  5    394.8041000              0.0107650        
  6    180.8027000              0.0327480        
  7     87.4239300              0.0849950        
  8     44.0342700              0.1788510        
  9     22.7770400              0.2896740        
 10     12.0154700              0.3283500        
 11      6.4117510              0.2090050        
 12      3.3811360              0.0543940        
 13      1.7470540              0.0020050        
 14      0.8850040             -0.0014380        
 15      0.4330280             -0.0009110        
 16      0.1739620             -0.0000520        
 17      0.0728230             -0.0000120        
P   17
  1  31539.8900000             -0.0000160        
  2   7460.2340000             -0.0000640        
  3   2422.6220000             -0.0002750        
  4    927.7547000             -0.0010700        
  5    394.8041000             -0.0037650        
  6    180.8027000             -0.0116070        
  7     87.4239300             -0.0308030        
  8     44.0342700             -0.0671020        
  9     22.7770400             -0.1130240        
 10     12.0154700             -0.1359580        
 11      6.4117510             -0.0478150        
 12      3.3811360              0.1907310        
 13      1.7470540              0.4011900        
 14      0.8850040              0.3827710        
 15      0.4330280              0.1674310        
 16      0.1739620              0.0180400        
 17      0.0728230             -0.0006540        
P   17
  1  31539.8900000              0.0000040        
  2   7460.2340000              0.0000150        
  3   2422.6220000              0.0000650        
  4    927.7547000              0.0002520        
  5    394.8041000              0.0008930        
  6    180.8027000              0.0027370        
  7     87.4239300              0.0073310        
  8     44.0342700              0.0158860        
  9     22.7770400              0.0271800        
 10     12.0154700              0.0324270        
 11      6.4117510              0.0108710        
 12      3.3811360             -0.0565060        
 13      1.7470540             -0.1144660        
 14      0.8850040             -0.1329640        
 15      0.4330280              0.0047140        
 16      0.1739620              0.3440550        
 17      0.0728230              0.5412790        
P   17
  1  31539.8900000              0.0000050        
  2   7460.2340000              0.0000190        
  3   2422.6220000              0.0000830        
  4    927.7547000              0.0003250        
  5    394.8041000              0.0011440        
  6    180.8027000              0.0035350        
  7     87.4239300              0.0093750        
  8     44.0342700              0.0205310        
  9     22.7770400              0.0346480        
 10     12.0154700              0.0423890        
 11      6.4117510              0.0133730        
 12      3.3811360             -0.0684010        
 13      1.7470540             -0.1487620        
 14      0.8850040             -0.1732490        
 15      0.4330280             -0.0207630        
 16      0.1739620              0.5782720        
 17      0.0728230              0.5031920        
P   17
  1  31539.8900000              0.0000100        
  2   7460.2340000              0.0000390        
  3   2422.6220000              0.0001790        
  4    927.7547000              0.0006500        
  5    394.8041000              0.0024720        
  6    180.8027000              0.0070230        
  7     87.4239300              0.0204050        
  8     44.0342700              0.0402100        
  9     22.7770400              0.0784580        
 10     12.0154700              0.0794720        
 11      6.4117510              0.0588510        
 12      3.3811360             -0.2240270        
 13      1.7470540             -0.3702630        
 14      0.8850040             -0.4376700        
 15      0.4330280              1.1645370        
 16      0.1739620              0.4154860        
 17      0.0728230             -0.9143280        
P   17
  1  31539.8900000             -0.0000130        
  2   7460.2340000             -0.0000540        
  3   2422.6220000             -0.0002070        
  4    927.7547000             -0.0009320        
  5    394.8041000             -0.0027990        
  6    180.8027000             -0.0101970        
  7     87.4239300             -0.0225810        
  8     44.0342700             -0.0608530        
  9     22.7770400             -0.0779640        
 10     12.0154700             -0.1676820        
 11      6.4117510             -0.0107790        
 12      3.3811360              0.3109570        
 13      1.7470540              1.0976240        
 14      0.8850040             -1.2795560        
 15      0.4330280             -0.8569200        
 16      0.1739620              2.0411650        
 17      0.0728230             -1.1202710        
P   1
  1      0.0299520              1.0000000        
P   1
  1      0.0123200              1.0000000        
D   10
  1    281.3120000              0.0003470        
  2     83.1885000              0.0030700        
  3     31.8396000              0.0153950        
  4     13.6026000              0.0513190        
  5      6.1829800              0.1296680        
  6      2.9227000              0.2347810        
  7      1.3821600              0.3080430        
  8      0.6394600              0.3080560        
  9      0.2848980              0.2239250        
 10      0.1200450              0.0946790        
D   10
  1    281.3120000             -0.0003940        
  2     83.1885000             -0.0034940        
  3     31.8396000             -0.0175900        
  4     13.6026000             -0.0596210        
  5      6.1829800             -0.1545140        
  6      2.9227000             -0.2603230        
  7      1.3821600             -0.2500610        
  8      0.6394600              0.0227810        
  9      0.2848980              0.4192340        
 10      0.1200450              0.4520610        
D   10
  1    281.3120000             -0.0005630        
  2     83.1885000             -0.0050080        
  3     31.8396000             -0.0254920        
  4     13.6026000             -0.0881820        
  5      6.1829800             -0.2353990        
  6      2.9227000             -0.3396410        
  7      1.3821600             -0.0376150        
  8      0.6394600              0.6602460        
  9      0.2848980              0.2965440        
 10      0.1200450             -0.6557610        
D   10
  1    281.3120000              0.0007970        
  2     83.1885000              0.0076390        
  3     31.8396000              0.0369700        
  4     13.6026000              0.1424390        
  5      6.1829800              0.3758710        
  6      2.9227000              0.3231850        
  7      1.3821600             -0.8334330        
  8      0.6394600             -0.3730540        
  9      0.2848980              1.2135530        
 10      0.1200450             -0.4829450        
D   1
  1      0.0462290              1.0000000        
D   1
  1      0.0178000              1.0000000        
F   1
  1      3.7289000              1.0000000        
F   1
  1      1.0824000              1.0000000        
F   1
  1      0.3142000              1.0000000        
F   1
  1      0.1024200              1.0000000        
G   1
  1      2.5880000              1.0000000        
G   1
  1      0.6848000              1.0000000        
G   1
  1      0.2400200              1.0000000        
H   1
  1      1.6472000              1.0000000        
H   1
  1      0.6147900              1.0000000


name: aug-cc-pVQZ-DK
description: VQZPD All-electron Douglas-Kroll Valence Quadruple Zeta + Polarization
elt: Mn
data:
MANGANESE
S   21
  1 12210500.0000000            0.0000580        
  2 1828157.0000000             0.0001650        
  3 416030.3000000              0.0004380        
  4 117843.6000000              0.0010700        
  5  38448.1400000              0.0025760        
  6  13881.7100000              0.0062270        
  7   5415.0020000              0.0152550        
  8   2246.4600000              0.0369930        
  9    980.1463000              0.0847020        
 10    445.8952000              0.1707500        
 11    210.0558000              0.2743970        
 12    101.8046000              0.2920430        
 13     50.0112600              0.1562220        
 14     22.9393900              0.0570620        
 15     11.5226400              0.0808350        
 16      5.7763380              0.0554240        
 17      2.6259590              0.0066290        
 18      1.2603220             -0.0002790        
 19      0.5771300             -0.0000720        
 20      0.1365820             -0.0000030        
 21      0.0635350              0.0000180        
S   21
  1 12210500.0000000           -0.0000280        
  2 1828157.0000000            -0.0000790        
  3 416030.3000000             -0.0002090        
  4 117843.6000000             -0.0005120        
  5  38448.1400000             -0.0012360        
  6  13881.7100000             -0.0030000        
  7   5415.0020000             -0.0073920        
  8   2246.4600000             -0.0181990        
  9    980.1463000             -0.0427750        
 10    445.8952000             -0.0916740        
 11    210.0558000             -0.1657000        
 12    101.8046000             -0.2259060        
 13     50.0112600             -0.1460020        
 14     22.9393900              0.2013410        
 15     11.5226400              0.5511090        
 16      5.7763380              0.3649400        
 17      2.6259590              0.0468620        
 18      1.2603220             -0.0049100        
 19      0.5771300             -0.0008110        
 20      0.1365820             -0.0002310        
 21      0.0635350              0.0002610        
S   21
  1 12210500.0000000            0.0000070        
  2 1828157.0000000             0.0000190        
  3 416030.3000000              0.0000510        
  4 117843.6000000              0.0001250        
  5  38448.1400000              0.0003020        
  6  13881.7100000              0.0007350        
  7   5415.0020000              0.0018160        
  8   2246.4600000              0.0045200        
  9    980.1463000              0.0107630        
 10    445.8952000              0.0239650        
 11    210.0558000              0.0458380        
 12    101.8046000              0.0701710        
 13     50.0112600              0.0489920        
 14     22.9393900             -0.0969430        
 15     11.5226400             -0.3667830        
 16      5.7763380             -0.3506890        
 17      2.6259590              0.2826890        
 18      1.2603220              0.6877440        
 19      0.5771300              0.3208270        
 20      0.1365820              0.0142970        
 21      0.0635350             -0.0039610        
S   21
  1 12210500.0000000           -0.0000020        
  2 1828157.0000000            -0.0000040        
  3 416030.3000000             -0.0000110        
  4 117843.6000000             -0.0000280        
  5  38448.1400000             -0.0000670        
  6  13881.7100000             -0.0001640        
  7   5415.0020000             -0.0004050        
  8   2246.4600000             -0.0010090        
  9    980.1463000             -0.0023990        
 10    445.8952000             -0.0053570        
 11    210.0558000             -0.0102290        
 12    101.8046000             -0.0157930        
 13     50.0112600             -0.0109470        
 14     22.9393900              0.0218960        
 15     11.5226400              0.0881540        
 16      5.7763380              0.0858360        
 17      2.6259590             -0.0805790        
 18      1.2603220             -0.2334220        
 19      0.5771300             -0.2180350        
 20      0.1365820              0.3213000        
 21      0.0635350              0.5871860        
S   21
  1 12210500.0000000           -0.0000030        
  2 1828157.0000000            -0.0000090        
  3 416030.3000000             -0.0000230        
  4 117843.6000000             -0.0000570        
  5  38448.1400000             -0.0001340        
  6  13881.7100000             -0.0003410        
  7   5415.0020000             -0.0007900        
  8   2246.4600000             -0.0021450        
  9    980.1463000             -0.0045600        
 10    445.8952000             -0.0117340        
 11    210.0558000             -0.0185180        
 12    101.8046000             -0.0375870        
 13     50.0112600             -0.0109190        
 14     22.9393900              0.0172930        
 15     11.5226400              0.2491810        
 16      5.7763380              0.0803670        
 17      2.6259590             -0.0187700        
 18      1.2603220             -1.0968980        
 19      0.5771300              0.5280050        
 20      0.1365820              1.8057720        
 21      0.0635350             -1.1683710        
S   21
  1 12210500.0000000           -0.0000050        
  2 1828157.0000000            -0.0000140        
  3 416030.3000000             -0.0000370        
  4 117843.6000000             -0.0000910        
  5  38448.1400000             -0.0002130        
  6  13881.7100000             -0.0005440        
  7   5415.0020000             -0.0012540        
  8   2246.4600000             -0.0034240        
  9    980.1463000             -0.0072400        
 10    445.8952000             -0.0187740        
 11    210.0558000             -0.0294560        
 12    101.8046000             -0.0606780        
 13     50.0112600             -0.0172460        
 14     22.9393900              0.0278370        
 15     11.5226400              0.4339450        
 16      5.7763380              0.1645920        
 17      2.6259590             -0.4097160        
 18      1.2603220             -1.9645600        
 19      0.5771300              2.8395490        
 20      0.1365820             -0.9662380        
 21      0.0635350             -1.1393420        
S   21
  1 12210500.0000000           -0.0000060        
  2 1828157.0000000            -0.0000160        
  3 416030.3000000             -0.0000440        
  4 117843.6000000             -0.0001040        
  5  38448.1400000             -0.0002660        
  6  13881.7100000             -0.0005870        
  7   5415.0020000             -0.0016770        
  8   2246.4600000             -0.0034070        
  9    980.1463000             -0.0105060        
 10    445.8952000             -0.0167510        
 11    210.0558000             -0.0495550        
 12    101.8046000             -0.0381420        
 13     50.0112600             -0.0951520        
 14     22.9393900              0.2112910        
 15     11.5226400              0.2315620        
 16      5.7763380              0.8752810        
 17      2.6259590             -2.9729550        
 18      1.2603220              1.9405330        
 19      0.5771300              0.8065440        
 20      0.1365820             -3.8652740        
 21      0.0635350              5.3654950        
S   1
  1      0.0285210              1.0000000        
S   1
  1      0.0128000              1.0000000        
P   17
  1  35005.1200000              0.0000480        
  2   8279.4620000              0.0001870        
  3   2688.4650000              0.0007950        
  4   1029.4900000              0.0030450        
  5    438.0708000              0.0106220        
  6    200.6153000              0.0323120        
  7     97.0076900              0.0841060        
  8     48.8705200              0.1778670        
  9     25.2928100              0.2896740        
 10     13.3538200              0.3295160        
 11      7.1317860              0.2101060        
 12      3.7643650              0.0543090        
 13      1.9462650              0.0009210        
 14      0.9854550             -0.0025450        
 15      0.4818650             -0.0013860        
 16      0.18822219            -0.0001010        
 17      0.07753957            -0.0000060        
P   17
  1  35005.1200000             -0.0000170        
  2   8279.4620000             -0.0000650        
  3   2688.4650000             -0.0002760        
  4   1029.4900000             -0.0010630        
  5    438.0708000             -0.0037280        
  6    200.6153000             -0.0114960        
  7     97.0076900             -0.0306030        
  8     48.8705200             -0.0670670        
  9     25.2928100             -0.1137030        
 10     13.3538200             -0.1370730        
 11      7.1317860             -0.0467790        
 12      3.7643650              0.1938100        
 13      1.9462650              0.4032800        
 14      0.9854550              0.3802000        
 15      0.4818650              0.1659910        
 16      0.18822219             0.0176060        
 17      0.07753957            -0.0009790        
P   17
  1  35005.1200000             -0.0000040        
  2   8279.4620000             -0.0000150        
  3   2688.4650000             -0.0000640        
  4   1029.4900000             -0.0002440        
  5    438.0708000             -0.0008620        
  6    200.6153000             -0.0026400        
  7     97.0076900             -0.0071040        
  8     48.8705200             -0.0154490        
  9     25.2928100             -0.0266700        
 10     13.3538200             -0.0317120        
 11      7.1317860             -0.0106380        
 12      3.7643650              0.0556750        
 13      1.9462650              0.1103720        
 14      0.9854550              0.1279880        
 15      0.4818650             -0.0059250        
 16      0.18822219            -0.3403060        
 17      0.07753957            -0.5399780        
P   17
  1  35005.1200000              0.0000050        
  2   8279.4620000              0.0000200        
  3   2688.4650000              0.0000870        
  4   1029.4900000              0.0003310        
  5    438.0708000              0.0011680        
  6    200.6153000              0.0035830        
  7     97.0076900              0.0096140        
  8     48.8705200              0.0209630        
  9     25.2928100              0.0360950        
 10     13.3538200              0.0432600        
 11      7.1317860              0.0145930        
 12      3.7643650             -0.0739170        
 13      1.9462650             -0.1508130        
 14      0.9854550             -0.1784340        
 15      0.4818650              0.0078630        
 16      0.18822219             0.5895700        
 17      0.07753957             0.4812390        
P   17
  1  35005.1200000              0.0000110        
  2   8279.4620000              0.0000420        
  3   2688.4650000              0.0001890        
  4   1029.4900000              0.0006700        
  5    438.0708000              0.0025720        
  6    200.6153000              0.0072120        
  7     97.0076900              0.0213320        
  8     48.8705200              0.0415820        
  9     25.2928100              0.0832960        
 10     13.3538200              0.0812140        
 11      7.1317860              0.0663900        
 12      3.7643650             -0.2544520        
 13      1.9462650             -0.3788380        
 14      0.9854550             -0.3911210        
 15      0.4818650              1.1724280        
 16      0.18822219             0.3433290        
 17      0.07753957            -0.8913400        
P   17
  1  35005.1200000             -0.0000150        
  2   8279.4620000             -0.0000600        
  3   2688.4650000             -0.0002330        
  4   1029.4900000             -0.0009920        
  5    438.0708000             -0.0031070        
  6    200.6153000             -0.0108160        
  7     97.0076900             -0.0253500        
  8     48.8705200             -0.0647510        
  9     25.2928100             -0.0906570        
 10     13.3538200             -0.1700890        
 11      7.1317860             -0.0386240        
 12      3.7643650              0.4446210        
 13      1.9462650              1.0592000        
 14      0.9854550             -1.5463780        
 15      0.4818650             -0.4568530        
 16      0.18822219             1.7988000        
 17      0.07753957            -1.0962300        
P   1
  1      0.03154945             1.0000000        
P   1
  1      0.0128400              1.0000000        
D   10
  1    313.1090000              0.0003590        
  2     92.5276000              0.0031830        
  3     35.4191000              0.0160470        
  4     15.1577000              0.0537480        
  5      6.9096400              0.1349810        
  6      3.2725600              0.2407980        
  7      1.5493600              0.3099540        
  8      0.7170940              0.3033480        
  9      0.3193100              0.2162990        
 10      0.1341570              0.0917180        
D   10
  1    313.1090000             -0.0003660        
  2     92.5276000             -0.0032550        
  3     35.4191000             -0.0164410        
  4     15.1577000             -0.0558650        
  5      6.9096400             -0.1438070        
  6      3.2725600             -0.2453650        
  7      1.5493600             -0.2370140        
  8      0.7170940              0.0168210        
  9      0.3193100              0.3826800        
 10      0.1341570              0.4703680        
D   10
  1    313.1090000             -0.0005780        
  2     92.5276000             -0.0051700        
  3     35.4191000             -0.0263440        
  4     15.1577000             -0.0919750        
  5      6.9096400             -0.2428130        
  6      3.2725600             -0.3418720        
  7      1.5493600             -0.0269540        
  8      0.7170940              0.6038520        
  9      0.3193100              0.3360190        
 10      0.1341570             -0.5511860        
D   10
  1    313.1090000             -0.0007350        
  2     92.5276000             -0.0066420        
  3     35.4191000             -0.0338840        
  4     15.1577000             -0.1226080        
  5      6.9096400             -0.3500800        
  6      3.2725600             -0.3191570        
  7      1.5493600              0.7228530        
  8      0.7170940              0.4559420        
  9      0.3193100             -1.0589930        
 10      0.1341570              0.1545530        
D   1
  1      0.0514000              1.0000000        
D   1
  1      0.0196900              1.0000000        
F   1
  1      4.4261000              1.0000000        
F   1
  1      1.2989000              1.0000000        
F   1
  1      0.3812000              1.0000000        
F   1
  1      0.1262400              1.0000000        
G   1
  1      3.1273000              1.0000000        
G   1
  1      0.8520000              1.0000000        
G   1
  1      0.3111900              1.0000000        
H   1
  1      1.9660000              1.0000000        
H   1
  1      0.7551300              1.0000000


name: aug-cc-pVQZ-DK
description: VQZPD All-electron Douglas-Kroll Valence Quadruple Zeta + Polarization
elt: Fe
data:
IRON
S   21
  1      0.1327714E+08          0.0000600        
  2 1987888.0000000             0.0001700        
  3 452387.1000000              0.0004500        
  4 128143.7000000              0.0010930        
  5  41809.1700000              0.0026130        
  6  15095.3300000              0.0062600        
  7   5888.4380000              0.0151950        
  8   2442.8760000              0.0365770        
  9   1065.8570000              0.0833750        
 10    484.9096000              0.1676340        
 11    228.4585000              0.2688600        
 12    110.7453000              0.2852350        
 13     54.4311600              0.1525320        
 14     25.0109600              0.0633810        
 15     12.5926200              0.0967240        
 16      6.3232020              0.0654700        
 17      2.8833840              0.0079630        
 18      1.3828680             -0.0002530        
 19      0.6322010             -0.0000320        
 20      0.1492380             -0.0000070        
 21      0.0684940              0.0000190        
S   21
  1      0.1327714E+08         -0.0000310        
  2 1987888.0000000            -0.0000880        
  3 452387.1000000             -0.0002320        
  4 128143.7000000             -0.0005650        
  5  41809.1700000             -0.0013530        
  6  15095.3300000             -0.0032560        
  7   5888.4380000             -0.0079480        
  8   2442.8760000             -0.0194130        
  9   1065.8570000             -0.0453820        
 10    484.9096000             -0.0967990        
 11    228.4585000             -0.1739720        
 12    110.7453000             -0.2350940        
 13     54.4311600             -0.1511880        
 14     25.0109600              0.2012780        
 15     12.5926200              0.5494000        
 16      6.3232020              0.3609330        
 17      2.8833840              0.0465600        
 18      1.3828680             -0.0040160        
 19      0.6322010             -0.0004730        
 20      0.1492380             -0.0002090        
 21      0.0684940              0.0002150        
S   21
  1      0.1327714E+08          0.0000070        
  2 1987888.0000000             0.0000210        
  3 452387.1000000              0.0000540        
  4 128143.7000000              0.0001320        
  5  41809.1700000              0.0003160        
  6  15095.3300000              0.0007640        
  7   5888.4380000              0.0018690        
  8   2442.8760000              0.0046210        
  9   1065.8570000              0.0109610        
 10    484.9096000              0.0243640        
 11    228.4585000              0.0465960        
 12    110.7453000              0.0713740        
 13     54.4311600              0.0498900        
 14     25.0109600             -0.0995880        
 15     12.5926200             -0.3739230        
 16      6.3232020             -0.3489040        
 17      2.8833840              0.2920800        
 18      1.3828680              0.6871120        
 19      0.6322010              0.3152790        
 20      0.1492380              0.0138550        
 21      0.0684940             -0.0034390        
S   21
  1      0.1327714E+08         -0.0000020        
  2 1987888.0000000            -0.0000040        
  3 452387.1000000             -0.0000120        
  4 128143.7000000             -0.0000290        
  5  41809.1700000             -0.0000690        
  6  15095.3300000             -0.0001670        
  7   5888.4380000             -0.0004080        
  8   2442.8760000             -0.0010090        
  9   1065.8570000             -0.0023900        
 10    484.9096000             -0.0053290        
 11    228.4585000             -0.0101780        
 12    110.7453000             -0.0157200        
 13     54.4311600             -0.0109200        
 14     25.0109600              0.0220630        
 15     12.5926200              0.0880750        
 16      6.3232020              0.0836500        
 17      2.8833840             -0.0817500        
 18      1.3828680             -0.2293920        
 19      0.6322010             -0.2098240        
 20      0.1492380              0.3095030        
 21      0.0684940              0.5849850        
S   21
  1      0.1327714E+08         -0.0000030        
  2 1987888.0000000            -0.0000090        
  3 452387.1000000             -0.0000240        
  4 128143.7000000             -0.0000590        
  5  41809.1700000             -0.0001370        
  6  15095.3300000             -0.0003440        
  7   5888.4380000             -0.0007940        
  8   2442.8760000             -0.0021300        
  9   1065.8570000             -0.0045440        
 10    484.9096000             -0.0115700        
 11    228.4585000             -0.0184810        
 12    110.7453000             -0.0369330        
 13     54.4311600             -0.0115290        
 14     25.0109600              0.0192290        
 15     12.5926200              0.2443040        
 16      6.3232020              0.0827020        
 17      2.8833840             -0.0399450        
 18      1.3828680             -1.0397040        
 19      0.6322010              0.4953030        
 20      0.1492380              1.6957440        
 21      0.0684940             -0.9636980        
S   21
  1      0.1327714E+08         -0.0000050        
  2 1987888.0000000            -0.0000150        
  3 452387.1000000             -0.0000390        
  4 128143.7000000             -0.0000960        
  5  41809.1700000             -0.0002240        
  6  15095.3300000             -0.0005620        
  7   5888.4380000             -0.0013010        
  8   2442.8760000             -0.0034750        
  9   1065.8570000             -0.0074620        
 10    484.9096000             -0.0188700        
 11    228.4585000             -0.0305680        
 12    110.7453000             -0.0602890        
 13     54.4311600             -0.0205920        
 14     25.0109600              0.0357860        
 15     12.5926200              0.4216870        
 16      6.3232020              0.2092330        
 17      2.8833840             -0.4975030        
 18      1.3828680             -1.8683190        
 19      0.6322010              2.7545840        
 20      0.1492380             -0.8331090        
 21      0.0684940             -1.2311520        
S   21
  1      0.1327714E+08         -0.0000060        
  2 1987888.0000000            -0.0000170        
  3 452387.1000000             -0.0000450        
  4 128143.7000000             -0.0001070        
  5  41809.1700000             -0.0002720        
  6  15095.3300000             -0.0005940        
  7   5888.4380000             -0.0016900        
  8   2442.8760000             -0.0033830        
  9   1065.8570000             -0.0105020        
 10    484.9096000             -0.0164400        
 11    228.4585000             -0.0496220        
 12    110.7453000             -0.0365410        
 13     54.4311600             -0.0969090        
 14     25.0109600              0.2140750        
 15     12.5926200              0.2010450        
 16      6.3232020              0.9699410        
 17      2.8833840             -3.1426280        
 18      1.3828680              2.1267050        
 19      0.6322010              0.6989570        
 20      0.1492380             -3.7298890        
 21      0.0684940              5.1457330        
S   1
  1      0.0303810              1.0000000        
S   1
  1      0.0134800              1.0000000        
P   17
  1  38282.0500000              0.0000510        
  2   9061.5560000              0.0001930        
  3   2944.4500000              0.0008070        
  4   1128.1580000              0.0030540        
  5    480.3380000              0.0105910        
  6    220.1368000              0.0321420        
  7    106.5482000              0.0836490        
  8     53.7426200              0.1771500        
  9     27.8631800              0.2890860        
 10     14.7438200              0.3291570        
 11      7.8933510              0.2104230        
 12      4.1794970              0.0551740        
 13      2.1656690              0.0015110        
 14      1.0972400             -0.0021830        
 15      0.5360850             -0.0012180        
 16      0.2024530             -0.0000850        
 17      0.0816950             -0.0000020        
P   17
  1  38282.0500000             -0.0000180        
  2   9061.5560000             -0.0000680        
  3   2944.4500000             -0.0002850        
  4   1128.1580000             -0.0010820        
  5    480.3380000             -0.0037730        
  6    220.1368000             -0.0116110        
  7    106.5482000             -0.0309030        
  8     53.7426200             -0.0678610        
  9     27.8631800             -0.1153490        
 10     14.7438200             -0.1389140        
 11      7.8933510             -0.0466250        
 12      4.1794970              0.1946700        
 13      2.1656690              0.4040100        
 14      1.0972400              0.3786780        
 15      0.5360850              0.1665960        
 16      0.2024530              0.0175340        
 17      0.0816950             -0.0013550        
P   17
  1  38282.0500000              0.0000040        
  2   9061.5560000              0.0000150        
  3   2944.4500000              0.0000620        
  4   1128.1580000              0.0002350        
  5    480.3380000              0.0008270        
  6    220.1368000              0.0025220        
  7    106.5482000              0.0067960        
  8     53.7426200              0.0147820        
  9     27.8631800              0.0256530        
 10     14.7438200              0.0303130        
 11      7.8933510              0.0102010        
 12      4.1794970             -0.0531930        
 13      2.1656690             -0.1036780        
 14      1.0972400             -0.1209980        
 15      0.5360850              0.0031080        
 16      0.2024530              0.3283150        
 17      0.0816950              0.5422430        
P   17
  1  38282.0500000              0.0000060        
  2   9061.5560000              0.0000230        
  3   2944.4500000              0.0000960        
  4   1128.1580000              0.0003580        
  5    480.3380000              0.0012700        
  6    220.1368000              0.0038420        
  7    106.5482000              0.0104410        
  8     53.7426200              0.0224790        
  9     27.8631800              0.0395990        
 10     14.7438200              0.0459830        
 11      7.8933510              0.0175790        
 12      4.1794970             -0.0850280        
 13      2.1656690             -0.1609090        
 14      1.0972400             -0.1945280        
 15      0.5360850              0.0582050        
 16      0.2024530              0.6259810        
 17      0.0816950              0.4271460        
P   17
  1  38282.0500000              0.0000130        
  2   9061.5560000              0.0000460        
  3   2944.4500000              0.0002060        
  4   1128.1580000              0.0007160        
  5    480.3380000              0.0027590        
  6    220.1368000              0.0076430        
  7    106.5482000              0.0228730        
  8     53.7426200              0.0440810        
  9     27.8631800              0.0899840        
 10     14.7438200              0.0853400        
 11      7.8933510              0.0772780        
 12      4.1794970             -0.2972450        
 13      2.1656690             -0.4067180        
 14      1.0972400             -0.3121550        
 15      0.5360850              1.2052550        
 16      0.2024530              0.1894990        
 17      0.0816950             -0.8424540        
P   17
  1  38282.0500000             -0.0000160        
  2   9061.5560000             -0.0000650        
  3   2944.4500000             -0.0002560        
  4   1128.1580000             -0.0010400        
  5    480.3380000             -0.0033700        
  6    220.1368000             -0.0112410        
  7    106.5482000             -0.0275820        
  8     53.7426200             -0.0670210        
  9     27.8631800             -0.1006940        
 10     14.7438200             -0.1703110        
 11      7.8933510             -0.0783230        
 12      4.1794970              0.6077450        
 13      2.1656690              0.9645760        
 14      1.0972400             -1.7927730        
 15      0.5360850             -0.0262890        
 16      0.2024530              1.5460990        
 17      0.0816950             -1.0949690        
P   1
  1      0.0326140              1.0000000        
P   1
  1      0.0130200              1.0000000        
D   10
  1    350.9950000              0.0003590        
  2    103.6670000              0.0031850        
  3     39.7043000              0.0161760        
  4     17.0310000              0.0545530        
  5      7.7890200              0.1367300        
  6      3.6995500              0.2420240        
  7      1.7553200              0.3084870        
  8      0.8128450              0.3004030        
  9      0.3614410              0.2164630        
 10      0.1513460              0.0943300        
D   10
  1    350.9950000             -0.0003950        
  2    103.6670000             -0.0035300        
  3     39.7043000             -0.0179410        
  4     17.0310000             -0.0614610        
  5      7.7890200             -0.1583160        
  6      3.6995500             -0.2693400        
  7      1.7553200             -0.2412260        
  8      0.8128450              0.0585700        
  9      0.3614410              0.4116150        
 10      0.1513460              0.4361600        
D   10
  1    350.9950000             -0.0005700        
  2    103.6670000             -0.0051170        
  3     39.7043000             -0.0262340        
  4     17.0310000             -0.0920690        
  5      7.7890200             -0.2464400        
  6      3.6995500             -0.3502150        
  7      1.7553200              0.0307360        
  8      0.8128450              0.6477360        
  9      0.3614410              0.2400240        
 10      0.1513460             -0.6048030        
D   10
  1    350.9950000             -0.0008190        
  2    103.6670000             -0.0070130        
  3     39.7043000             -0.0378470        
  4     17.0310000             -0.1314140        
  5      7.7890200             -0.4094000        
  6      3.6995500             -0.2893670        
  7      1.7553200              0.9175770        
  8      0.8128450              0.2020840        
  9      0.3614410             -1.0761670        
 10      0.1513460              0.4017690        
D   1
  1      0.0575130              1.0000000        
D   1
  1      0.0218600              1.0000000        
F   1
  1      5.1588000              1.0000000        
F   1
  1      1.5344000              1.0000000        
F   1
  1      0.4564000              1.0000000        
F   1
  1      0.1527000              1.0000000        
G   1
  1      3.7476000              1.0000000        
G   1
  1      1.0505000              1.0000000        
G   1
  1      0.3981500              1.0000000        
H   1
  1      2.3448000              1.0000000        
H   1
  1      0.9324500              1.0000000


name: aug-cc-pVQZ-DK
description: VQZPD All-electron Douglas-Kroll Valence Quadruple Zeta + Polarization
elt: Co
data:
COBALT
S   21
  1      0.1437022E+08          0.0000630        
  2 2151540.0000000             0.0001780        
  3 489625.7000000              0.0004680        
  4 138690.3000000              0.0011300        
  5  45249.8900000              0.0026830        
  6  16337.6200000              0.0063740        
  7   6373.0730000              0.0153380        
  8   2643.9580000              0.0366560        
  9   1153.6140000              0.0831830        
 10    524.8606000              0.1668550        
 11    247.3069000              0.2672920        
 12    119.9063000              0.2833740        
 13     58.9642900              0.1517480        
 14     27.1361600              0.0652490        
 15     13.6891200              0.1004050        
 16      6.8827710              0.0672310        
 17      3.1446470              0.0081260        
 18      1.5062660             -0.0002610        
 19      0.6872680             -0.0000390        
 20      0.1609720             -0.0000080        
 21      0.0730170              0.0000140        
S   21
  1      0.1437022E+08         -0.0000330        
  2 2151540.0000000            -0.0000940        
  3 489625.7000000             -0.0002460        
  4 138690.3000000             -0.0005960        
  5  45249.8900000             -0.0014180        
  6  16337.6200000             -0.0033820        
  7   6373.0730000             -0.0081850        
  8   2643.9580000             -0.0198490        
  9   1153.6140000             -0.0461910        
 10    524.8606000             -0.0982720        
 11    247.3069000             -0.1763040        
 12    119.9063000             -0.2377920        
 13     58.9642900             -0.1523860        
 14     27.1361600              0.2036220        
 15     13.6891200              0.5501680        
 16      6.8827710              0.3578070        
 17      3.1446470              0.0457660        
 18      1.5062660             -0.0038900        
 19      0.6872680             -0.0004840        
 20      0.1609720             -0.0002010        
 21      0.0730170              0.0001790        
S   21
  1      0.1437022E+08          0.0000080        
  2 2151540.0000000             0.0000220        
  3 489625.7000000              0.0000570        
  4 138690.3000000              0.0001390        
  5  45249.8900000              0.0003300        
  6  16337.6200000              0.0007910        
  7   6373.0730000              0.0019200        
  8   2643.9580000              0.0047140        
  9   1153.6140000              0.0111330        
 10    524.8606000              0.0246990        
 11    247.3069000              0.0472060        
 12    119.9063000              0.0722950        
 13     58.9642900              0.0503830        
 14     27.1361600             -0.1023930        
 15     13.6891200             -0.3802180        
 16      6.8827710             -0.3454400        
 17      3.1446470              0.3024920        
 18      1.5062660              0.6860590        
 19      0.6872680              0.3089540        
 20      0.1609720              0.0132060        
 21      0.0730170             -0.0031170        
S   21
  1      0.1437022E+08         -0.0000020        
  2 2151540.0000000            -0.0000050        
  3 489625.7000000             -0.0000120        
  4 138690.3000000             -0.0000300        
  5  45249.8900000             -0.0000700        
  6  16337.6200000             -0.0001690        
  7   6373.0730000             -0.0004100        
  8   2643.9580000             -0.0010070        
  9   1153.6140000             -0.0023760        
 10    524.8606000             -0.0052860        
 11    247.3069000             -0.0100900        
 12    119.9063000             -0.0155790        
 13     58.9642900             -0.0107950        
 14     27.1361600              0.0222270        
 15     13.6891200              0.0876570        
 16      6.8827710              0.0809210        
 17      3.1446470             -0.0827610        
 18      1.5062660             -0.2246610        
 19      0.6872680             -0.2015800        
 20      0.1609720              0.3017660        
 21      0.0730170              0.5810930        
S   21
  1      0.1437022E+08         -0.0000030        
  2 2151540.0000000            -0.0000090        
  3 489625.7000000             -0.0000240        
  4 138690.3000000             -0.0000590        
  5  45249.8900000             -0.0001380        
  6  16337.6200000             -0.0003430        
  7   6373.0730000             -0.0007880        
  8   2643.9580000             -0.0020850        
  9   1153.6140000             -0.0044670        
 10    524.8606000             -0.0112370        
 11    247.3069000             -0.0181850        
 12    119.9063000             -0.0356690        
 13     58.9642900             -0.0119320        
 14     27.1361600              0.0212370        
 15     13.6891200              0.2348300        
 16      6.8827710              0.0848480        
 17      3.1446470             -0.0615640        
 18      1.5062660             -0.9633490        
 19      0.6872680              0.4435460        
 20      0.1609720              1.5994950        
 21      0.0730170             -0.7695260        
S   21
  1      0.1437022E+08         -0.0000060        
  2 2151540.0000000            -0.0000160        
  3 489625.7000000             -0.0000420        
  4 138690.3000000             -0.0001020        
  5  45249.8900000             -0.0002390        
  6  16337.6200000             -0.0005910        
  7   6373.0730000             -0.0013670        
  8   2643.9580000             -0.0035830        
  9   1153.6140000             -0.0077820        
 10    524.8606000             -0.0192710        
 11    247.3069000             -0.0320140        
 12    119.9063000             -0.0609120        
 13     58.9642900             -0.0236150        
 14     27.1361600              0.0437420        
 15     13.6891200              0.4195750        
 16      6.8827710              0.2454930        
 17      3.1446470             -0.5913480        
 18      1.5062660             -1.7723080        
 19      0.6872680              2.6790200        
 20      0.1609720             -0.7274990        
 21      0.0730170             -1.2747080        
S   21
  1      0.1437022E+08         -0.0000060        
  2 2151540.0000000            -0.0000180        
  3 489625.7000000             -0.0000470        
  4 138690.3000000             -0.0001110        
  5  45249.8900000             -0.0002800        
  6  16337.6200000             -0.0006050        
  7   6373.0730000             -0.0017140        
  8   2643.9580000             -0.0033760        
  9   1153.6140000             -0.0105710        
 10    524.8606000             -0.0161940        
 11    247.3069000             -0.0500370        
 12    119.9063000             -0.0349470        
 13     58.9642900             -0.0993410        
 14     27.1361600              0.2194560        
 15     13.6891200              0.1784260        
 16      6.8827710              1.0401950        
 17      3.1446470             -3.3014820        
 18      1.5062660              2.3454950        
 19      0.6872680              0.5436570        
 20      0.1609720             -3.5761260        
 21      0.0730170              4.9421090        
S   1
  1      0.0320710              1.0000000        
S   1
  1      0.0140900              1.0000000        
P   17
  1  41961.4000000              0.0000530        
  2   9928.3060000              0.0001980        
  3   3224.9710000              0.0008160        
  4   1235.2930000              0.0030540        
  5    525.8469000              0.0105440        
  6    240.9762000              0.0319630        
  7    116.6418000              0.0832750        
  8     58.8483400              0.1768010        
  9     30.5291000              0.2892520        
 10     16.1694300              0.3294090        
 11      8.6642360              0.2103030        
 12      4.5919430              0.0551480        
 13      2.3810480              0.0015780        
 14      1.2062460             -0.0021450        
 15      0.5888220             -0.0011880        
 16      0.2248930             -0.0000800        
 17      0.0904480             -0.0000030        
P   17
  1  41961.4000000             -0.0000190        
  2   9928.3060000             -0.0000710        
  3   3224.9710000             -0.0002910        
  4   1235.2930000             -0.0010940        
  5    525.8469000             -0.0037960        
  6    240.9762000             -0.0116670        
  7    116.6418000             -0.0310950        
  8     58.8483400             -0.0684730        
  9     30.5291000             -0.1168130        
 10     16.1694300             -0.1403400        
 11      8.6642360             -0.0455310        
 12      4.5919430              0.1979890        
 13      2.3810480              0.4052460        
 14      1.2062460              0.3766180        
 15      0.5888220              0.1642500        
 16      0.2248930              0.0173260        
 17      0.0904480             -0.0011590        
P   17
  1  41961.4000000              0.0000040        
  2   9928.3060000              0.0000160        
  3   3224.9710000              0.0000640        
  4   1235.2930000              0.0002400        
  5    525.8469000              0.0008410        
  6    240.9762000              0.0025640        
  7    116.6418000              0.0069140        
  8     58.8483400              0.0150970        
  9     30.5291000              0.0262560        
 10     16.1694300              0.0310480        
 11      8.6642360              0.0100640        
 12      4.5919430             -0.0546020        
 13      2.3810480             -0.1063460        
 14      1.2062460             -0.1210550        
 15      0.5888220              0.0063130        
 16      0.2248930              0.3283220        
 17      0.0904480              0.5404380        
P   17
  1  41961.4000000              0.0000070        
  2   9928.3060000              0.0000250        
  3   3224.9710000              0.0001030        
  4   1235.2930000              0.0003800        
  5    525.8469000              0.0013410        
  6    240.9762000              0.0040530        
  7    116.6418000              0.0110330        
  8     58.8483400              0.0238220        
  9     30.5291000              0.0421320        
 10     16.1694300              0.0489260        
 11      8.6642360              0.0182370        
 12      4.5919430             -0.0927790        
 13      2.3810480             -0.1742910        
 14      1.2062460             -0.1949580        
 15      0.5888220              0.0866440        
 16      0.2248930              0.6196070        
 17      0.0904480              0.4155170        
P   17
  1  41961.4000000              0.0000140        
  2   9928.3060000              0.0000490        
  3   3224.9710000              0.0002170        
  4   1235.2930000              0.0007530        
  5    525.8469000              0.0028520        
  6    240.9762000              0.0080000        
  7    116.6418000              0.0236410        
  8     58.8483400              0.0464590        
  9     30.5291000              0.0930840        
 10     16.1694300              0.0921130        
 11      8.6642360              0.0774220        
 12      4.5919430             -0.3214270        
 13      2.3810480             -0.4386490        
 14      1.2062460             -0.2191060        
 15      0.5888220              1.1794450        
 16      0.2248930              0.1324390        
 17      0.0904480             -0.8109210        
P   17
  1  41961.4000000              0.0000180        
  2   9928.3060000              0.0000680        
  3   3224.9710000              0.0002720        
  4   1235.2930000              0.0010650        
  5    525.8469000              0.0035430        
  6    240.9762000              0.0114310        
  7    116.6418000              0.0291160        
  8     58.8483400              0.0681050        
  9     30.5291000              0.1082440        
 10     16.1694300              0.1709700        
 11      8.6642360              0.1038320        
 12      4.5919430             -0.7477390        
 13      2.3810480             -0.8092780        
 14      1.2062460              1.8373640        
 15      0.5888220             -0.1406610        
 16      0.2248930             -1.4398920        
 17      0.0904480              1.0498300        
P   1
  1      0.0358200              1.0000000        
P   1
  1      0.0141900              1.0000000        
D   10
  1    371.5660000              0.0003980        
  2    110.1150000              0.0034810        
  3     42.4255000              0.0173620        
  4     18.3369000              0.0576820        
  5      8.4573000              0.1418110        
  6      4.0417900              0.2456560        
  7      1.9260300              0.3075020        
  8      0.8942810              0.2955950        
  9      0.3979880              0.2121670        
 10      0.1665000              0.0928960        
D   10
  1    371.5660000             -0.0004600        
  2    110.1150000             -0.0040610        
  3     42.4255000             -0.0202580        
  4     18.3369000             -0.0685820        
  5      8.4573000             -0.1734630        
  6      4.0417900             -0.2858720        
  7      1.9260300             -0.2288420        
  8      0.8942810              0.1000240        
  9      0.3979880              0.4213280        
 10      0.1665000              0.4054680        
D   10
  1    371.5660000             -0.0006110        
  2    110.1150000             -0.0054160        
  3     42.4255000             -0.0272350        
  4     18.3369000             -0.0942080        
  5      8.4573000             -0.2495960        
  6      4.0417900             -0.3440740        
  7      1.9260300              0.0830320        
  8      0.8942810              0.6510980        
  9      0.3979880              0.1778030        
 10      0.1665000             -0.6155820        
D   10
  1    371.5660000             -0.0009190        
  2    110.1150000             -0.0075970        
  3     42.4255000             -0.0410110        
  4     18.3369000             -0.1379990        
  5      8.4573000             -0.4392740        
  6      4.0417900             -0.2345360        
  7      1.9260300              0.9736790        
  8      0.8942810              0.0750400        
  9      0.3979880             -1.0306680        
 10      0.1665000              0.4434900        
D   1
  1      0.0630250              1.0000000        
D   1
  1      0.0238600              1.0000000        
F   1
  1      5.9410000              1.0000000        
F   1
  1      1.7850000              1.0000000        
F   1
  1      0.5363000              1.0000000        
F   1
  1      0.1808700              1.0000000        
G   1
  1      4.3870000              1.0000000        
G   1
  1      1.2510000              1.0000000        
G   1
  1      0.4852100              1.0000000        
H   1
  1      2.7485000              1.0000000        
H   1
  1      1.1246100              1.0000000


name: aug-cc-pVQZ-DK
description: VQZPD All-electron Douglas-Kroll Valence Quadruple Zeta + Polarization
elt: Ni
data:
NICKEL
S   19
  1 15503020.0000000            0.0000680        
  2 2321071.0000000             0.0001920        
  3 528180.2000000              0.0005030        
  4 149604.0000000              0.0012080        
  5  48809.0700000              0.0028490        
  6  17622.3900000              0.0067150        
  7   6874.2010000              0.0160260        
  8   2851.8570000              0.0380450        
  9   1244.3340000              0.0860160        
 10    566.1547000              0.1724730        
 11    266.7873000              0.2771470        
 12    129.3752000              0.2968780        
 13     63.6516100              0.1607220        
 14     29.3330200              0.0532090        
 15     14.8221200              0.0670780        
 16      7.4605130              0.0451040        
 17      3.4135760              0.0051630        
 18      1.6328840             -0.0001680        
 19      0.7435790             -0.0000810        
S   21
  1 15503020.0000000           -0.0000310        
  2 2321071.0000000            -0.0000870        
  3 528180.2000000             -0.0002280        
  4 149604.0000000             -0.0005490        
  5  48809.0700000             -0.0012970        
  6  17622.3900000             -0.0030720        
  7   6874.2010000             -0.0073790        
  8   2851.8570000             -0.0178050        
  9   1244.3340000             -0.0413840        
 10    566.1547000             -0.0884770        
 11    266.7873000             -0.1605330        
 12    129.3752000             -0.2211450        
 13     63.6516100             -0.1429300        
 14     29.3330200              0.2105090        
 15     14.8221200              0.5571780        
 16      7.4605130              0.3587470        
 17      3.4135760              0.0448050        
 18      1.6328840             -0.0047710        
 19      0.7435790             -0.0009710        
 20      0.1725920             -0.0002250        
 21      0.0774200              0.0001450        
S   21
  1 15503020.0000000            0.0000080        
  2 2321071.0000000             0.0000230        
  3 528180.2000000              0.0000600        
  4 149604.0000000              0.0001450        
  5  48809.0700000              0.0003430        
  6  17622.3900000              0.0008140        
  7   6874.2010000              0.0019600        
  8   2851.8570000              0.0047790        
  9   1244.3340000              0.0112410        
 10    566.1547000              0.0248800        
 11    266.7873000              0.0475220        
 12    129.3752000              0.0727080        
 13     63.6516100              0.0504870        
 14     29.3330200             -0.1049100        
 15     14.8221200             -0.3841580        
 16      7.4605130             -0.3405100        
 17      3.4135760              0.3128690        
 18      1.6328840              0.6787890        
 19      0.7435790              0.3074190        
 20      0.1725920              0.0146650        
 21      0.0774200             -0.0039540        
S   21
  1 15503020.0000000           -0.0000020        
  2 2321071.0000000            -0.0000050        
  3 528180.2000000             -0.0000130        
  4 149604.0000000             -0.0000310        
  5  48809.0700000             -0.0000730        
  6  17622.3900000             -0.0001730        
  7   6874.2010000             -0.0004150        
  8   2851.8570000             -0.0010130        
  9   1244.3340000             -0.0023810        
 10    566.1547000             -0.0052860        
 11    266.7873000             -0.0100820        
 12    129.3752000             -0.0155550        
 13     63.6516100             -0.0107280        
 14     29.3330200              0.0225870        
 15     14.8221200              0.0878230        
 16      7.4605130              0.0787500        
 17      3.4135760             -0.0841310        
 18      1.6328840             -0.2212350        
 19      0.7435790             -0.1943700        
 20      0.1725920              0.2958150        
 21      0.0774200              0.5768850        
S   21
  1 15503020.0000000           -0.0000040        
  2 2321071.0000000            -0.0000100        
  3 528180.2000000             -0.0000260        
  4 149604.0000000             -0.0000630        
  5  48809.0700000             -0.0001460        
  6  17622.3900000             -0.0003590        
  7   6874.2010000             -0.0008240        
  8   2851.8570000             -0.0021470        
  9   1244.3340000             -0.0046300        
 10    566.1547000             -0.0114660        
 11    266.7873000             -0.0188850        
 12    129.3752000             -0.0360910        
 13     63.6516100             -0.0131930        
 14     29.3330200              0.0249350        
 15     14.8221200              0.2351510        
 16      7.4605130              0.0995590        
 17      3.4135760             -0.0991250        
 18      1.6328840             -0.9520230        
 19      0.7435790              0.4790000        
 20      0.1725920              1.4997280        
 21      0.0774200             -0.6533590        
S   21
  1 15503020.0000000           -0.0000060        
  2 2321071.0000000            -0.0000170        
  3 528180.2000000             -0.0000450        
  4 149604.0000000             -0.0001080        
  5  48809.0700000             -0.0002530        
  6  17622.3900000             -0.0006140        
  7   6874.2010000             -0.0014330        
  8   2851.8570000             -0.0036470        
  9   1244.3340000             -0.0081260        
 10    566.1547000             -0.0193360        
 11    266.7873000             -0.0337780        
 12    129.3752000             -0.0597330        
 13     63.6516100             -0.0291950        
 14     29.3330200              0.0576720        
 15     14.8221200              0.3962980        
 16      7.4605130              0.3262820        
 17      3.4135760             -0.7659990        
 18      1.6328840             -1.5951110        
 19      0.7435790              2.6051560        
 20      0.1725920             -0.7647690        
 21      0.0774200             -1.1749130        
S   21
  1 15503020.0000000           -0.0000070        
  2 2321071.0000000            -0.0000190        
  3 528180.2000000             -0.0000500        
  4 149604.0000000             -0.0001170        
  5  48809.0700000             -0.0002940        
  6  17622.3900000             -0.0006290        
  7   6874.2010000             -0.0017690        
  8   2851.8570000             -0.0034530        
  9   1244.3340000             -0.0108110        
 10    566.1547000             -0.0163970        
 11    266.7873000             -0.0511320        
 12    129.3752000             -0.0347730        
 13     63.6516100             -0.1020090        
 14     29.3330200              0.2248130        
 15     14.8221200              0.1666290        
 16      7.4605130              1.1504080        
 17      3.4135760             -3.6677600        
 18      1.6328840              2.9089060        
 19      0.7435790              0.1233070        
 20      0.1725920             -3.2568870        
 21      0.0774200              4.6303440        
S   1
  1      0.0337010              1.0000000        
S   1
  1      0.0146700              1.0000000        
P   17
  1  45066.6200000              0.0000570        
  2  10662.6400000              0.0002080        
  3   3463.4310000              0.0008460        
  4   1326.6240000              0.0031340        
  5    564.7414000              0.0107650        
  6    258.8288000              0.0325410        
  7    125.3115000              0.0846200        
  8     63.2423300              0.1792530        
  9     32.8240600              0.2920770        
 10     17.3969200              0.3290800        
 11      9.3243940              0.2060500        
 12      4.9388390              0.0521800        
 13      2.5620250              0.0007930        
 14      1.2992940             -0.0024970        
 15      0.6346780             -0.0013400        
 16      0.2325994             -0.0000960        
 17      0.0915230              0.0000050        
P   17
  1  45066.6200000             -0.0000200        
  2  10662.6400000             -0.0000740        
  3   3463.4310000             -0.0003020        
  4   1326.6240000             -0.0011260        
  5    564.7414000             -0.0038860        
  6    258.8288000             -0.0119180        
  7    125.3115000             -0.0317080        
  8     63.2423300             -0.0697490        
  9     32.8240600             -0.1185830        
 10     17.3969200             -0.1405920        
 11      9.3243940             -0.0391820        
 12      4.9388390              0.2070370        
 13      2.5620250              0.4068660        
 14      1.2992940              0.3672130        
 15      0.6346780              0.1625320        
 16      0.2325994              0.0179490        
 17      0.0915230             -0.0016100        
P   17
  1  45066.6200000              0.0000040        
  2  10662.6400000              0.0000150        
  3   3463.4310000              0.0000620        
  4   1326.6240000              0.0002270        
  5    564.7414000              0.0007940        
  6    258.8288000              0.0024100        
  7    125.3115000              0.0065010        
  8     63.2423300              0.0141420        
  9     32.8240600              0.0246010        
 10     17.3969200              0.0284870        
 11      9.3243940              0.0079730        
 12      4.9388390             -0.0524750        
 13      2.5620250             -0.0961500        
 14      1.2992940             -0.1098910        
 15      0.6346780              0.0052770        
 16      0.2325994              0.3160560        
 17      0.0915230              0.5414170        
P   17
  1  45066.6200000              0.0000090        
  2  10662.6400000              0.0000310        
  3   3463.4310000              0.0001290        
  4   1326.6240000              0.0004670        
  5    564.7414000              0.0016690        
  6    258.8288000              0.0049420        
  7    125.3115000              0.0137030        
  8     63.2423300              0.0288820        
  9     32.8240600              0.0525090        
 10     17.3969200              0.0575250        
 11      9.3243940              0.0233410        
 12      4.9388390             -0.1314790        
 13      2.5620250             -0.2125180        
 14      1.2992940             -0.2149510        
 15      0.6346780              0.2264290        
 16      0.2325994              0.6390330        
 17      0.0915230              0.3129740        
P   17
  1  45066.6200000              0.0000150        
  2  10662.6400000              0.0000540        
  3   3463.4310000              0.0002330        
  4   1326.6240000              0.0008060        
  5    564.7414000              0.0030230        
  6    258.8288000              0.0085050        
  7    125.3115000              0.0249740        
  8     63.2423300              0.0493100        
  9     32.8240600              0.0977120        
 10     17.3969200              0.0978230        
 11      9.3243940              0.0747930        
 12      4.9388390             -0.3728930        
 13      2.5620250             -0.4521070        
 14      1.2992940             -0.0831810        
 15      0.6346780              1.1810810        
 16      0.2325994             -0.0996300        
 17      0.0915230             -0.7437020        
P   17
  1  45066.6200000              0.0000210        
  2  10662.6400000              0.0000770        
  3   3463.4310000              0.0003040        
  4   1326.6240000              0.0011710        
  5    564.7414000              0.0039020        
  6    258.8288000              0.0124890        
  7    125.3115000              0.0320120        
  8     63.2423300              0.0742030        
  9     32.8240600              0.1186720        
 10     17.3969200              0.1888440        
 11      9.3243940              0.1042450        
 12      4.9388390             -0.9857230        
 13      2.5620250             -0.5224120        
 14      1.2992940              2.0084850        
 15      0.6346780             -0.6516730        
 16      0.2325994             -1.0910670        
 17      0.0915230              1.0098080        
P   1
  1      0.0355740              1.0000000        
P   1
  1      0.0138300              1.0000000        
D   10
  1    432.2741887              0.0003510        
  2    127.4570298              0.0031160        
  3     48.83096424             0.0160110        
  4     21.01674656             0.0546140        
  5      9.65710264             0.1364950        
  6      4.60305286             0.2389110        
  7      2.18924426             0.3000020        
  8      1.01439313             0.2906960        
  9      0.45035253             0.2209770        
 10      0.18765306             0.1203230        
D   10
  1    432.2741887             -0.0003600        
  2    127.4570298             -0.0032190        
  3     48.83096424            -0.0165480        
  4     21.01674656            -0.0572710        
  5      9.65710264            -0.1468730        
  6      4.60305286            -0.2479010        
  7      2.18924426            -0.2234890        
  8      1.01439313             0.0132390        
  9      0.45035253             0.3104770        
 10      0.18765306             0.4522510        
D   10
  1    432.2741887              0.0005070        
  2    127.4570298              0.0045770        
  3     48.83096424             0.0235490        
  4     21.01674656             0.0831870        
  5      9.65710264             0.2210890        
  6      4.60305286             0.3398130        
  7      2.18924426             0.0390780        
  8      1.01439313            -0.5221520        
  9      0.45035253            -0.3950570        
 10      0.18765306             0.3656590        
D   10
  1    432.2741887             -0.0007300        
  2    127.4570298             -0.0062770        
  3     48.83096424            -0.0340630        
  4     21.01674656            -0.1184390        
  5      9.65710264            -0.3663900        
  6      4.60305286            -0.3205530        
  7      2.18924426             0.6939770        
  8      1.01439313             0.4623840        
  9      0.45035253            -0.8214790        
 10      0.18765306            -0.1860170        
D   1
  1      0.07047793             1.0000000        
D   1
  1      0.0264700              1.0000000        
F   1
  1      6.8303000              1.0000000        
F   1
  1      2.0748000              1.0000000        
F   1
  1      0.6302000              1.0000000        
F   1
  1      0.2152600              1.0000000        
G   1
  1      5.3315000              1.0000000        
G   1
  1      1.5215000              1.0000000        
G   1
  1      0.6112100              1.0000000        
H   1
  1      3.1948000              1.0000000        
H   1
  1      1.3438200              1.0000000


name: aug-cc-pVQZ-DK
description: VQZPD All-electron Douglas-Kroll Valence Quadruple Zeta + Polarization
elt: Cu
data:
COPPER
S   21
  1 16665490.0000000            0.0000690        
  2 2495213.0000000             0.0001920        
  3 567850.7000000              0.0005020        
  4 160853.1000000              0.0012000        
  5  52481.8600000              0.0028120        
  6  18948.8500000              0.0065760        
  7   7391.6550000              0.0155630        
  8   3066.5170000              0.0366600        
  9   1337.9940000              0.0824010        
 10    608.7830000              0.1643320        
 11    286.8980000              0.2621450        
 12    139.1530000              0.2764660        
 13     68.4945500              0.1478900        
 14     31.6010800              0.0715990        
 15     15.9915800              0.1144220        
 16      8.0565100              0.0747330        
 17      3.6903290              0.0089010        
 18      1.7629020             -0.0003240        
 19      0.8012690             -0.0000580        
 20      0.1842430             -0.0000130        
 21      0.0817930              0.0000070        
S   21
  1 16665490.0000000           -0.0000390        
  2 2495213.0000000            -0.0001080        
  3 567850.7000000             -0.0002830        
  4 160853.1000000             -0.0006760        
  5  52481.8600000             -0.0015880        
  6  18948.8500000             -0.0037300        
  7   7391.6550000             -0.0088800        
  8   3066.5170000             -0.0212230        
  9   1337.9940000             -0.0488990        
 10    608.7830000             -0.1033220        
 11    286.8980000             -0.1841780        
 12    139.1530000             -0.2462790        
 13     68.4945500             -0.1557580        
 14     31.6010800              0.2083890        
 15     15.9915800              0.5500740        
 16      8.0565100              0.3499800        
 17      3.6903290              0.0438090        
 18      1.7629020             -0.0036690        
 19      0.8012690             -0.0005070        
 20      0.1842430             -0.0001860        
 21      0.0817930              0.0001150        
S   21
  1 16665490.0000000            0.0000090        
  2 2495213.0000000             0.0000240        
  3 567850.7000000              0.0000640        
  4 160853.1000000              0.0001530        
  5  52481.8600000              0.0003590        
  6  18948.8500000              0.0008470        
  7   7391.6550000              0.0020240        
  8   3066.5170000              0.0049000        
  9   1337.9940000              0.0114730        
 10    608.7830000              0.0253410        
 11    286.8980000              0.0483250        
 12    139.1530000              0.0738920        
 13     68.4945500              0.0509150        
 14     31.6010800             -0.1083140        
 15     15.9915800             -0.3914490        
 16      8.0565100             -0.3369910        
 17      3.6903290              0.3223440        
 18      1.7629020              0.6829570        
 19      0.8012690              0.2970280        
 20      0.1842430              0.0119740        
 21      0.0817930             -0.0026920        
S   21
  1 16665490.0000000           -0.0000020        
  2 2495213.0000000            -0.0000050        
  3 567850.7000000             -0.0000130        
  4 160853.1000000             -0.0000310        
  5  52481.8600000             -0.0000730        
  6  18948.8500000             -0.0001730        
  7   7391.6550000             -0.0004130        
  8   3066.5170000             -0.0010020        
  9   1337.9940000             -0.0023440        
 10    608.7830000             -0.0051920        
 11    286.8980000             -0.0098910        
 12    139.1530000             -0.0152450        
 13     68.4945500             -0.0104490        
 14     31.6010800              0.0225660        
 15     15.9915800              0.0864480        
 16      8.0565100              0.0753310        
 17      3.6903290             -0.0842130        
 18      1.7629020             -0.2151650        
 19      0.8012690             -0.1866230        
 20      0.1842430              0.2899280        
 21      0.0817930              0.5722780        
S   21
  1 16665490.0000000           -0.0000030        
  2 2495213.0000000            -0.0000090        
  3 567850.7000000             -0.0000240        
  4 160853.1000000             -0.0000590        
  5  52481.8600000             -0.0001370        
  6  18948.8500000             -0.0003320        
  7   7391.6550000             -0.0007580        
  8   3066.5170000             -0.0019560        
  9   1337.9940000             -0.0042140        
 10    608.7830000             -0.0103720        
 11    286.8980000             -0.0171440        
 12    139.1530000             -0.0325260        
 13     68.4945500             -0.0120170        
 14     31.6010800              0.0239630        
 15     15.9915800              0.2119610        
 16      8.0565100              0.0842800        
 17      3.6903290             -0.0894720        
 18      1.7629020             -0.8091960        
 19      0.8012690              0.3242170        
 20      0.1842430              1.4472890        
 21      0.0817930             -0.4431320        
S   21
  1 16665490.0000000           -0.0000070        
  2 2495213.0000000            -0.0000190        
  3 567850.7000000             -0.0000490        
  4 160853.1000000             -0.0001170        
  5  52481.8600000             -0.0002720        
  6  18948.8500000             -0.0006580        
  7   7391.6550000             -0.0015150        
  8   3066.5170000             -0.0038590        
  9   1337.9940000             -0.0084690        
 10    608.7830000             -0.0203920        
 11    286.8980000             -0.0348960        
 12    139.1530000             -0.0634080        
 13     68.4945500             -0.0280780        
 14     31.6010800              0.0570580        
 15     15.9915800              0.4302750        
 16      8.0565100              0.2973020        
 17      3.6903290             -0.7723650        
 18      1.7629020             -1.5798620        
 19      0.8012690              2.5350850        
 20      0.1842430             -0.5516530        
 21      0.0817930             -1.3122570        
S   21
  1 16665490.0000000           -0.0000070        
  2 2495213.0000000            -0.0000200        
  3 567850.7000000             -0.0000520        
  4 160853.1000000             -0.0001210        
  5  52481.8600000             -0.0003000        
  6  18948.8500000             -0.0006410        
  7   7391.6550000             -0.0017830        
  8   3066.5170000             -0.0034630        
  9   1337.9940000             -0.0107780        
 10    608.7830000             -0.0163220        
 11    286.8980000             -0.0508210        
 12    139.1530000             -0.0344510        
 13     68.4945500             -0.1011720        
 14     31.6010800              0.2246670        
 15     15.9915800              0.1699430        
 16      8.0565100              1.1132610        
 17      3.6903290             -3.5632140        
 18      1.7629020              2.7675090        
 19      0.8012690              0.2188800        
 20      0.1842430             -3.2660310        
 21      0.0817930              4.5609720        
S   1
  1      0.0353030              1.0000000        
S   1
  1      0.0152400              1.0000000        
P   16
  1  48218.4100000              0.0000610        
  2  11420.5500000              0.0002180        
  3   3713.5690000              0.0008730        
  4   1423.7620000              0.0031990        
  5    606.6041000              0.0109150        
  6    278.2564000              0.0328650        
  7    134.8449000              0.0852580        
  8     68.1225400              0.1802690        
  9     35.4008800              0.2930290        
 10     18.7902900              0.3282030        
 11     10.0835600              0.2037720        
 12      5.3461200              0.0514610        
 13      2.7752280              0.0013730        
 14      1.4075640             -0.0018930        
 15      0.6872130             -0.0010340        
 16      0.2473970             -0.0000600        
P   17
  1  48218.4100000             -0.0000220        
  2  11420.5500000             -0.0000790        
  3   3713.5690000             -0.0003170        
  4   1423.7620000             -0.0011670        
  5    606.6041000             -0.0040020        
  6    278.2564000             -0.0122280        
  7    134.8449000             -0.0324630        
  8     68.1225400             -0.0712940        
  9     35.4008800             -0.1210220        
 10     18.7902900             -0.1421450        
 11     10.0835600             -0.0363680        
 12      5.3461200              0.2125470        
 13      2.7752280              0.4098670        
 14      1.4075640              0.3653240        
 15      0.6872130              0.1559160        
 16      0.2473970              0.0154970        
 17      0.0961870             -0.0015450        
P   17
  1  48218.4100000              0.0000040        
  2  11420.5500000              0.0000150        
  3   3713.5690000              0.0000620        
  4   1423.7620000              0.0002260        
  5    606.6041000              0.0007840        
  6    278.2564000              0.0023700        
  7    134.8449000              0.0063880        
  8     68.1225400              0.0138590        
  9     35.4008800              0.0241140        
 10     18.7902900              0.0275710        
 11     10.0835600              0.0070970        
 12      5.3461200             -0.0519240        
 13      2.7752280             -0.0926040        
 14      1.4075640             -0.1055640        
 15      0.6872130              0.0063780        
 16      0.2473970              0.3117760        
 17      0.0961870              0.5407510        
P   17
  1  48218.4100000              0.0000090        
  2  11420.5500000              0.0000300        
  3   3713.5690000              0.0001240        
  4   1423.7620000              0.0004430        
  5    606.6041000              0.0015740        
  6    278.2564000              0.0046340        
  7    134.8449000              0.0128440        
  8     68.1225400              0.0269700        
  9     35.4008800              0.0491200        
 10     18.7902900              0.0529930        
 11     10.0835600              0.0206170        
 12      5.3461200             -0.1226650        
 13      2.7752280             -0.1911910        
 14      1.4075640             -0.2074430        
 15      0.6872130              0.1926460        
 16      0.2473970              0.6490010        
 17      0.0961870              0.3287320        
P   17
  1  48218.4100000              0.0000170        
  2  11420.5500000              0.0000580        
  3   3713.5690000              0.0002460        
  4   1423.7620000              0.0008420        
  5    606.6041000              0.0031310        
  6    278.2564000              0.0087870        
  7    134.8449000              0.0257090        
  8     68.1225400              0.0507520        
  9     35.4008800              0.1002550        
 10     18.7902900              0.1005250        
 11     10.0835600              0.0733500        
 12      5.3461200             -0.3887260        
 13      2.7752280             -0.4495470        
 14      1.4075640             -0.0766170        
 15      0.6872130              1.1820700        
 16      0.2473970             -0.0996590        
 17      0.0961870             -0.7171210        
P   17
  1  48218.4100000              0.0000210        
  2  11420.5500000              0.0000800        
  3   3713.5690000              0.0002990        
  4   1423.7620000              0.0011990        
  5    606.6041000              0.0037440        
  6    278.2564000              0.0127080        
  7    134.8449000              0.0303320        
  8     68.1225400              0.0759830        
  9     35.4008800              0.1085020        
 10     18.7902900              0.2051540        
 11     10.0835600              0.0570150        
 12      5.3461200             -0.9117820        
 13      2.7752280             -0.5409620        
 14      1.4075640              1.9497620        
 15      0.6872130             -0.5880390        
 16      0.2473970             -1.1302240        
 17      0.0961870              1.0441460        
P   1
  1      0.0369480              1.0000000        
P   1
  1      0.0141900              1.0000000        
D   10
  1    556.3170000              0.0002610        
  2    163.6920000              0.0023440        
  3     62.7973000              0.0124860        
  4     27.2478000              0.0442820        
  5     12.6298000              0.1159340        
  6      6.1034100              0.2174500        
  7      2.9654480              0.2914210        
  8      1.4126530              0.2983570        
  9      0.6498450              0.2379860        
 10      0.2837010              0.1332530        
D   10
  1    556.3170000             -0.0003240        
  2    163.6920000             -0.0029180        
  3     62.7973000             -0.0155940        
  4     27.2478000             -0.0559610        
  5     12.6298000             -0.1518160        
  6      6.1034100             -0.2797870        
  7      2.9654480             -0.2715330        
  8      1.4126530              0.0180900        
  9      0.6498450              0.3562040        
 10      0.2837010              0.4201600        
D   10
  1    556.3170000              0.0003890        
  2    163.6920000              0.0035340        
  3     62.7973000              0.0189360        
  4     27.2478000              0.0689280        
  5     12.6298000              0.1972720        
  6      6.1034100              0.3487360        
  7      2.9654480              0.0597030        
  8      1.4126530             -0.5596990        
  9      0.6498450             -0.3880260        
 10      0.2837010              0.4383270        
D   10
  1    556.3170000             -0.0006030        
  2    163.6920000             -0.0050540        
  3     62.7973000             -0.0293200        
  4     27.2478000             -0.1016320        
  5     12.6298000             -0.3526730        
  6      6.1034100             -0.4213890        
  7      2.9654480              0.7343300        
  8      1.4126530              0.5564940        
  9      0.6498450             -0.9765450        
 10      0.2837010             -0.0899130        
D   1
  1      0.1133290              1.0000000        
D   1
  1      0.0452700              1.0000000        
F   1
  1      7.6837000              1.0000000        
F   1
  1      2.3657000              1.0000000        
F   1
  1      0.7284000              1.0000000        
F   1
  1      0.2500700              1.0000000        
G   1
  1      5.9423000              1.0000000        
G   1
  1      1.7494000              1.0000000        
G   1
  1      0.7103500              1.0000000        
H   1
  1      3.7293000              1.0000000        
H   1
  1      1.6227600              1.0000000


name: aug-cc-pVQZ-DK
description: VQZPD All-electron Douglas-Kroll Valence Quadruple Zeta + Polarization
elt: Zn
data:
ZINC
S   21
  1      0.1785293E+08          0.0000790        
  2 2673038.0000000             0.0002200        
  3 608324.4000000              0.0005730        
  4 172317.6000000              0.0013640        
  5  56222.6900000              0.0031790        
  6  20299.8500000              0.0073820        
  7   7918.8710000              0.0173430        
  8   3285.3400000              0.0406290        
  9   1433.5240000              0.0911280        
 10    652.2889000              0.1824150        
 11    307.4360000              0.2944610        
 12    149.1466000              0.3208580        
 13     73.4510800              0.1763940        
 14     33.9256200              0.0269500        
 15     17.1894700             -0.0014620        
 16      8.6665950              0.0009880        
 17      3.9725050             -0.0004540        
 18      1.8946650              0.0001670        
 19      0.8593850             -0.0000670        
 20      0.1952560              0.0000210        
 21      0.0858540             -0.0000150        
S   21
  1      0.1785293E+08         -0.0000250        
  2 2673038.0000000            -0.0000690        
  3 608324.4000000             -0.0001810        
  4 172317.6000000             -0.0004320        
  5  56222.6900000             -0.0010080        
  6  20299.8500000             -0.0023580        
  7   7918.8710000             -0.0055880        
  8   3285.3400000             -0.0133770        
  9   1433.5240000             -0.0311060        
 10    652.2889000             -0.0675820        
 11    307.4360000             -0.1266200        
 12    149.1466000             -0.1842860        
 13     73.4510800             -0.1210030        
 14     33.9256200              0.2220190        
 15     17.1894700              0.5609470        
 16      8.6665950              0.3524860        
 17      3.9725050              0.0454330        
 18      1.8946650              0.0000520        
 19      0.8593850              0.0010090        
 20      0.1952560             -0.0001180        
 21      0.0858540              0.0000890        
S   21
  1      0.1785293E+08          0.0000090        
  2 2673038.0000000             0.0000260        
  3 608324.4000000              0.0000690        
  4 172317.6000000              0.0001640        
  5  56222.6900000              0.0003820        
  6  20299.8500000              0.0008950        
  7   7918.8710000              0.0021220        
  8   3285.3400000              0.0051030        
  9   1433.5240000              0.0118880        
 10    652.2889000              0.0261860        
 11    307.4360000              0.0498050        
 12    149.1466000              0.0759660        
 13     73.4510800              0.0517660        
 14     33.9256200             -0.1129780        
 15     17.1894700             -0.4012980        
 16      8.6665950             -0.3347370        
 17      3.9725050              0.3331000        
 18      1.8946650              0.6889720        
 19      0.8593850              0.2848640        
 20      0.1952560              0.0082440        
 21      0.0858540             -0.0030930        
S   21
  1      0.1785293E+08         -0.0000020        
  2 2673038.0000000            -0.0000050        
  3 608324.4000000             -0.0000140        
  4 172317.6000000             -0.0000330        
  5  56222.6900000             -0.0000770        
  6  20299.8500000             -0.0001820        
  7   7918.8710000             -0.0004290        
  8   3285.3400000             -0.0010360        
  9   1433.5240000             -0.0024050        
 10    652.2889000             -0.0053370        
 11    307.4360000             -0.0100900        
 12    149.1466000             -0.0156710        
 13     73.4510800             -0.0104000        
 14     33.9256200              0.0231260        
 15     17.1894700              0.0899450        
 16      8.6665950              0.0735120        
 17      3.9725050             -0.0850030        
 18      1.8946650             -0.2289690        
 19      0.8593850             -0.1810930        
 20      0.1952560              0.3479990        
 21      0.0858540              0.5700400        
S   21
  1      0.1785293E+08         -0.0000050        
  2 2673038.0000000            -0.0000150        
  3 608324.4000000             -0.0000390        
  4 172317.6000000             -0.0000930        
  5  56222.6900000             -0.0002130        
  6  20299.8500000             -0.0005170        
  7   7918.8710000             -0.0011580        
  8   3285.3400000             -0.0030170        
  9   1433.5240000             -0.0063280        
 10    652.2889000             -0.0159920        
 11    307.4360000             -0.0253830        
 12    149.1466000             -0.0508780        
 13     73.4510800             -0.0147930        
 14     33.9256200              0.0305570        
 15     17.1894700              0.3475700        
 16      8.6665950              0.1094030        
 17      3.9725050             -0.2208400        
 18      1.8946650             -1.3044110        
 19      0.8593850              1.0663570        
 20      0.1952560              1.4271740        
 21      0.0858540             -1.2613610        
S   21
  1      0.1785293E+08          0.0000070        
  2 2673038.0000000             0.0000210        
  3 608324.4000000              0.0000540        
  4 172317.6000000              0.0001270        
  5  56222.6900000              0.0002990        
  6  20299.8500000              0.0006950        
  7   7918.8710000              0.0016700        
  8   3285.3400000              0.0039400        
  9   1433.5240000              0.0094460        
 10    652.2889000              0.0201520        
 11    307.4360000              0.0404710        
 12    149.1466000              0.0582110        
 13     73.4510800              0.0480920        
 14     33.9256200             -0.1061780        
 15     17.1894700             -0.3822290        
 16      8.6665950             -0.5135870        
 17      3.9725050              1.5357960        
 18      1.8946650              0.6749030        
 19      0.8593850             -2.5422360        
 20      0.1952560              2.3368240        
 21      0.0858540             -0.9072220        
S   21
  1      0.1785293E+08         -0.0000100        
  2 2673038.0000000            -0.0000280        
  3 608324.4000000             -0.0000730        
  4 172317.6000000             -0.0001710        
  5  56222.6900000             -0.0004140        
  6  20299.8500000             -0.0009140        
  7   7918.8710000             -0.0023740        
  8   3285.3400000             -0.0050120        
  9   1433.5240000             -0.0139070        
 10    652.2889000             -0.0245170        
 11    307.4360000             -0.0633700        
 12    149.1466000             -0.0618520        
 13     73.4510800             -0.1068480        
 14     33.9256200              0.2254310        
 15     17.1894700              0.5674800        
 16      8.6665950              1.0107520        
 17      3.9725050             -5.5611700        
 18      1.8946650              6.9915000        
 19      0.8593850             -3.5424600        
 20      0.1952560              0.0395280        
 21      0.0858540              1.6266830        
S   1
  1      0.0367810              1.0000000        
S   1
  1      0.0157600              1.0000000        
P   17
  1  52867.9300000              0.0000630        
  2  12511.7900000              0.0002210        
  3   4065.2860000              0.0008710        
  4   1557.5950000              0.0031550        
  5    663.2892000              0.0107140        
  6    304.1561000              0.0322280        
  7    147.3680000              0.0837700        
  8     74.4546900              0.1778440        
  9     38.7149300              0.2905790        
 10     20.5702200              0.3275000        
 11     11.0542500              0.2059230        
 12      5.8746610              0.0549140        
 13      3.0529360              0.0049090        
 14      1.5472250              0.0009730        
 15      0.7541510              0.0001840        
 16      0.2655530              0.0000500        
 17      0.1019080             -0.0000120        
P   17
  1  52867.9300000             -0.0000240        
  2  12511.7900000             -0.0000830        
  3   4065.2860000             -0.0003270        
  4   1557.5950000             -0.0011910        
  5    663.2892000             -0.0040650        
  6    304.1561000             -0.0124020        
  7    147.3680000             -0.0329760        
  8     74.4546900             -0.0726830        
  9     38.7149300             -0.1239840        
 10     20.5702200             -0.1462900        
 11     11.0542500             -0.0402280        
 12      5.8746610              0.2098190        
 13      3.0529360              0.4113650        
 14      1.5472250              0.3688220        
 15      0.7541510              0.1542010        
 16      0.2655530              0.0141420        
 17      0.1019080             -0.0015040        
P   17
  1  52867.9300000              0.0000040        
  2  12511.7900000              0.0000150        
  3   4065.2860000              0.0000610        
  4   1557.5950000              0.0002180        
  5    663.2892000              0.0007550        
  6    304.1561000              0.0022760        
  7    147.3680000              0.0061530        
  8     74.4546900              0.0133900        
  9     38.7149300              0.0234670        
 10     20.5702200              0.0268920        
 11     11.0542500              0.0074420        
 12      5.8746610             -0.0497760        
 13      3.0529360             -0.0890630        
 14      1.5472250             -0.1028810        
 15      0.7541510              0.0042210        
 16      0.2655530              0.3049800        
 17      0.1019080              0.5410500        
P   17
  1  52867.9300000              0.0000080        
  2  12511.7900000              0.0000270        
  3   4065.2860000              0.0001090        
  4   1557.5950000              0.0003850        
  5    663.2892000              0.0013540        
  6    304.1561000              0.0040080        
  7    147.3680000              0.0110550        
  8     74.4546900              0.0234910        
  9     38.7149300              0.0425770        
 10     20.5702200              0.0468610        
 11     11.0542500              0.0177220        
 12      5.8746610             -0.1003030        
 13      3.0529360             -0.1633930        
 14      1.5472250             -0.1893930        
 15      0.7541510              0.1172440        
 16      0.2655530              0.6469500        
 17      0.1019080              0.3799520        
P   17
  1  52867.9300000              0.0000170        
  2  12511.7900000              0.0000580        
  3   4065.2860000              0.0002460        
  4   1557.5950000              0.0008210        
  5    663.2892000              0.0030900        
  6    304.1561000              0.0085000        
  7    147.3680000              0.0254170        
  8     74.4546900              0.0492100        
  9     38.7149300              0.1006690        
 10     20.5702200              0.0965090        
 11     11.0542500              0.0819270        
 12      5.8746610             -0.3834010        
 13      3.0529360             -0.4182030        
 14      1.5472250             -0.1677070        
 15      0.7541510              1.1948090        
 16      0.2655530             -0.0019210        
 17      0.1019080             -0.7337660        
P   17
  1  52867.9300000             -0.0000220        
  2  12511.7900000             -0.0000800        
  3   4065.2860000             -0.0002860        
  4   1557.5950000             -0.0011850        
  5    663.2892000             -0.0034930        
  6    304.1561000             -0.0125320        
  7    147.3680000             -0.0281370        
  8     74.4546900             -0.0760000        
  9     38.7149300             -0.0985060        
 10     20.5702200             -0.2143670        
 11     11.0542500             -0.0265110        
 12      5.8746610              0.7728880        
 13      3.0529360              0.6874980        
 14      1.5472250             -1.8748440        
 15      0.7541510              0.3864500        
 16      0.2655530              1.2436150        
 17      0.1019080             -1.0725970        
P   1
  1      0.0386230              1.0000000        
P   1
  1      0.0146400              1.0000000        
D   10
  1    690.0847000              0.0002080        
  2    202.3066000              0.0018800        
  3     77.4459400              0.0103150        
  4     33.6837800              0.0379340        
  5     15.6699800              0.1028900        
  6      7.6224700              0.2026810        
  7      3.7499780              0.2845300        
  8      1.8181510              0.3024300        
  9      0.8555970              0.2489250        
 10      0.3838420              0.1422960        
D   10
  1    690.0847000             -0.0002900        
  2    202.3066000             -0.0026300        
  3     77.4459400             -0.0145340        
  4     33.6837800             -0.0539330        
  5     15.6699800             -0.1524270        
  6      7.6224700             -0.3000970        
  7      3.7499780             -0.3103010        
  8      1.8181510              0.0218570        
  9      0.8555970              0.3961220        
 10      0.3838420              0.3968090        
D   10
  1    690.0847000             -0.0003220        
  2    202.3066000             -0.0029800        
  3     77.4459400             -0.0163530        
  4     33.6837800             -0.0616730        
  5     15.6699800             -0.1858900        
  6      7.6224700             -0.3750080        
  7      3.7499780             -0.0401820        
  8      1.8181510              0.6109590        
  9      0.8555970              0.3386520        
 10      0.3838420             -0.4891340        
D   10
  1    690.0847000              0.0004570        
  2    202.3066000              0.0037910        
  3     77.4459400              0.0230360        
  4     33.6837800              0.0812020        
  5     15.6699800              0.2937930        
  6      7.6224700              0.4477370        
  7      3.7499780             -0.6033540        
  8      1.8181510             -0.6904040        
  9      0.8555970              0.9760680        
 10      0.3838420              0.2286070        
D   1
  1      0.1579520              1.0000000        
D   1
  1      0.0650000              1.0000000        
F   1
  1      8.6408000              1.0000000        
F   1
  1      2.6947000              1.0000000        
F   1
  1      0.8403000              1.0000000        
F   1
  1      0.2939000              1.0000000        
G   1
  1      6.8215000              1.0000000        
G   1
  1      2.0378000              1.0000000        
G   1
  1      0.8473000              1.0000000        
H   1
  1      4.3396000              1.0000000        
H   1
  1      1.9605400              1.0000000


name: aug-cc-pVQZ-DK
description: VQZPD All-electron Douglas-Kroll Valence Quadruple Zeta + Polarization
elt: Ga
data:
GALLIUM
S   18
  1 11274496.0000000            0.0001221        
  2 1688053.4000000             0.0003424        
  3 384140.8300000              0.0009020        
  4 108807.0300000              0.0021882        
  5  35497.6910000              0.0052363        
  6  12815.1040000              0.0125481        
  7   4998.1087000              0.0302576        
  8   2072.8848000              0.0711138        
  9    903.7458200              0.1527992        
 10    410.4430700              0.2724282        
 11    192.6063600              0.3423241        
 12     92.0496780              0.2281097        
 13     42.0478110              0.0454772        
 14     21.0692170             -0.0021551        
 15     10.4479150              0.0016736        
 16      4.7776580             -0.0007754        
 17      2.2825660              0.0003295        
 18      1.0353030             -0.0001316        
S   18
  1 11274496.0000000           -0.0000387        
  2 1688053.4000000            -0.0001086        
  3 384140.8300000             -0.0002865        
  4 108807.0300000             -0.0006966        
  5  35497.6910000             -0.0016755        
  6  12815.1040000             -0.0040452        
  7   4998.1087000             -0.0099194        
  8   2072.8848000             -0.0240086        
  9    903.7458200             -0.0550941        
 10    410.4430700             -0.1114520        
 11    192.6063600             -0.1807762        
 12     92.0496780             -0.1616077        
 13     42.0478110              0.1324047        
 14     21.0692170              0.5454004        
 15     10.4479150              0.4289256        
 16      4.7776580              0.0686669        
 17      2.2825660             -0.0004995        
 18      1.0353030              0.0014802        
S   18
  1 11274496.0000000            0.0000148        
  2 1688053.4000000             0.0000416        
  3 384140.8300000              0.0001097        
  4 108807.0300000              0.0002667        
  5  35497.6910000              0.0006423        
  6  12815.1040000              0.0015507        
  7   4998.1087000              0.0038164        
  8   2072.8848000              0.0092515        
  9    903.7458200              0.0214694        
 10    410.4430700              0.0439881        
 11    192.6063600              0.0743123        
 12     92.0496780              0.0693819        
 13     42.0478110             -0.0656190        
 14     21.0692170             -0.3670556        
 15     10.4479150             -0.4085287        
 16      4.7776580              0.2312384        
 17      2.2825660              0.7140331        
 18      1.0353030              0.3465773        
S   18
  1 11274496.0000000           -0.0000035        
  2 1688053.4000000            -0.0000097        
  3 384140.8300000             -0.0000257        
  4 108807.0300000             -0.0000625        
  5  35497.6910000             -0.0001507        
  6  12815.1040000             -0.0003634        
  7   4998.1087000             -0.0008967        
  8   2072.8848000             -0.0021675        
  9    903.7458200             -0.0050593        
 10    410.4430700             -0.0103217        
 11    192.6063600             -0.0176880        
 12     92.0496780             -0.0163015        
 13     42.0478110              0.0153154        
 14     21.0692170              0.0945371        
 15     10.4479150              0.1056313        
 16      4.7776580             -0.0684160        
 17      2.2825660             -0.2684861        
 18      1.0353030             -0.2431889        
S   1
  1      0.2576740              1.0000000        
S   1
  1      0.1191790              1.0000000        
S   1
  1      0.0512940              1.0000000        
S   1
  1      0.0184750              1.0000000        
P   13
  1  22059.7710000              0.0001895        
  2   5222.3129000              0.0008161        
  3   1696.0601000              0.0036080        
  4    648.7657300              0.0138076        
  5    275.1026700              0.0455148        
  6    125.3463400              0.1222649        
  7     60.0543340              0.2511555        
  8     29.7237680              0.3591516        
  9     15.0397810              0.2909065        
 10      7.5722730              0.0961232        
 11      3.7386760              0.0085053        
 12      1.7967880              0.0013554        
 13      0.8299100              0.0000797        
P   13
  1  22059.7710000             -0.0000721        
  2   5222.3129000             -0.0003114        
  3   1696.0601000             -0.0013804        
  4    648.7657300             -0.0053301        
  5    275.1026700             -0.0178363        
  6    125.3463400             -0.0495036        
  7     60.0543340             -0.1059787        
  8     29.7237680             -0.1610286        
  9     15.0397810             -0.1102836        
 10      7.5722730              0.1516034        
 11      3.7386760              0.4294623        
 12      1.7967880              0.4201505        
 13      0.8299100              0.1558343        
P   13
  1  22059.7710000              0.0000118        
  2   5222.3129000              0.0000506        
  3   1696.0601000              0.0002263        
  4    648.7657300              0.0008662        
  5    275.1026700              0.0029349        
  6    125.3463400              0.0080718        
  7     60.0543340              0.0176257        
  8     29.7237680              0.0263521        
  9     15.0397810              0.0186524        
 10      7.5722730             -0.0324099        
 11      3.7386760             -0.0803246        
 12      1.7967880             -0.0996614        
 13      0.8299100             -0.0070314        
P   1
  1      0.2728740              1.0000000        
P   1
  1      0.1015400              1.0000000        
P   1
  1      0.0376580              1.0000000        
P   1
  1      0.0114060              1.0000000        
D   9
  1    766.4369600              0.0002043        
  2    231.0042500              0.0017452        
  3     89.7812380              0.0094505        
  4     39.5466810              0.0349208        
  5     18.6075830              0.0959410        
  6      9.1512870              0.1945035        
  7      4.5650050              0.2822292        
  8      2.2530660              0.3078219        
  9      1.0867230              0.2526903        
D   1
  1      0.5033040              1.0000000        
D   1
  1      0.2122830              1.0000000        
D   1
  1      0.0828000              1.0000000        
D   1
  1      0.0279000              1.0000000        
F   1
  1      0.1810000              1.0000000        
F   1
  1      0.4710000              1.0000000        
F   1
  1      0.0655000              1.0000000        
G   1
  1      0.4032000              1.0000000        
G   1
  1      0.1680000              1.0000000


name: aug-cc-pVQZ-DK
description: VQZPD All-electron Douglas-Kroll Valence Quadruple Zeta + Polarization
elt: Ge
data:
GERMANIUM
S   18
  1 12360507.0000000            0.0001254        
  2 1850697.8000000             0.0003501        
  3 421131.4200000              0.0009182        
  4 119278.2600000              0.0022132        
  5  38912.2770000              0.0052537        
  6  14048.6820000              0.0124666        
  7   5480.6992000              0.0297706        
  8   2274.2055000              0.0694856        
  9    992.2412900              0.1490768        
 10    450.9996600              0.2672390        
 11    211.8202400              0.3413982        
 12    101.4110200              0.2353125        
 13     46.9140900              0.0505022        
 14     23.5089500             -0.0017194        
 15     11.6813110              0.0016793        
 16      5.4345260             -0.0007899        
 17      2.6088080              0.0003389        
 18      1.1984420             -0.0001429        
S   18
  1 12360507.0000000           -0.0000399        
  2 1850697.8000000            -0.0001115        
  3 421131.4200000             -0.0002930        
  4 119278.2600000             -0.0007081        
  5  38912.2770000             -0.0016893        
  6  14048.6820000             -0.0040398        
  7   5480.6992000             -0.0098058        
  8   2274.2055000             -0.0235684        
  9    992.2412900             -0.0538821        
 10    450.9996600             -0.1093039        
 11    211.8202400             -0.1787172        
 12    101.4110200             -0.1667879        
 13     46.9140900              0.1102405        
 14     23.5089500              0.5327701        
 15     11.6813110              0.4491280        
 16      5.4345260              0.0802648        
 17      2.6088080             -0.0000026        
 18      1.1984420              0.0015904        
S   18
  1 12360507.0000000            0.0000154        
  2 1850697.8000000             0.0000431        
  3 421131.4200000              0.0001134        
  4 119278.2600000              0.0002740        
  5  38912.2770000              0.0006544        
  6  14048.6820000              0.0015651        
  7   5480.6992000              0.0038114        
  8   2274.2055000              0.0091796        
  9    992.2412900              0.0212059        
 10    450.9996600              0.0435954        
 11    211.8202400              0.0740931        
 12    101.4110200              0.0723978        
 13     46.9140900             -0.0552386        
 14     23.5089500             -0.3558186        
 15     11.6813110             -0.4294906        
 16      5.4345260              0.1839053        
 17      2.6088080              0.7193170        
 18      1.1984420              0.3790653        
S   18
  1 12360507.0000000           -0.0000040        
  2 1850697.8000000            -0.0000111        
  3 421131.4200000             -0.0000292        
  4 119278.2600000             -0.0000707        
  5  38912.2770000             -0.0001689        
  6  14048.6820000             -0.0004035        
  7   5480.6992000             -0.0009851        
  8   2274.2055000             -0.0023657        
  9    992.2412900             -0.0054973        
 10    450.9996600             -0.0112530        
 11    211.8202400             -0.0194033        
 12    101.4110200             -0.0187269        
 13     46.9140900              0.0140815        
 14     23.5089500              0.1009262        
 15     11.6813110              0.1227674        
 16      5.4345260             -0.0594256        
 17      2.6088080             -0.2989059        
 18      1.1984420             -0.2869919        
S   1
  1      0.3298080              1.0000000        
S   1
  1      0.1554330              1.0000000        
S   1
  1      0.0669130              1.0000000        
S   1
  1      0.0263900              1.0000000        
P   13
  1  24017.4660000              0.0001945        
  2   5685.7175000              0.0008185        
  3   1846.4859000              0.0035724        
  4    706.2498100              0.0135752        
  5    299.4561000              0.0447080        
  6    136.4390400              0.1204056        
  7     65.3901550              0.2486703        
  8     32.3937350              0.3581298        
  9     16.4156160              0.2933743        
 10      8.2877870              0.0991565        
 11      4.1126340              0.0091030        
 12      1.9988540              0.0013896        
 13      0.9442910              0.0000404        
P   13
  1  24017.4660000             -0.0000752        
  2   5685.7175000             -0.0003171        
  3   1846.4859000             -0.0013878        
  4    706.2498100             -0.0053212        
  5    299.4561000             -0.0177878        
  6    136.4390400             -0.0494958        
  7     65.3901550             -0.1065591        
  8     32.3937350             -0.1630877        
  9     16.4156160             -0.1137000        
 10      8.2877870              0.1482356        
 11      4.1126340              0.4298190        
 12      1.9988540              0.4213163        
 13      0.9442910              0.1539937        
P   13
  1  24017.4660000              0.0000148        
  2   5685.7175000              0.0000623        
  3   1846.4859000              0.0002745        
  4    706.2498100              0.0010453        
  5    299.4561000              0.0035310        
  6    136.4390400              0.0097625        
  7     65.3901550              0.0213795        
  8     32.3937350              0.0323668        
  9     16.4156160              0.0230092        
 10      8.2877870             -0.0385579        
 11      4.1126340             -0.0991983        
 12      1.9988540             -0.1227246        
 13      0.9442910             -0.0067912        
P   1
  1      0.3412110              1.0000000        
P   1
  1      0.1343500              1.0000000        
P   1
  1      0.0517350              1.0000000        
P   1
  1      0.0185500              1.0000000        
D   9
  1    864.6741100              0.0001963        
  2    261.0376300              0.0016603        
  3    101.7703000              0.0089824        
  4     45.1166410              0.0332761        
  5     21.4306860              0.0916437        
  6     10.6598610              0.1882303        
  7      5.3922870              0.2792207        
  8      2.7044970              0.3112443        
  9      1.3285440              0.2561363        
D   1
  1      0.6264520              1.0000000        
D   1
  1      0.2660130              1.0000000        
D   1
  1      0.1063000              1.0000000        
D   1
  1      0.0397000              1.0000000        
F   1
  1      0.5492000              1.0000000        
F   1
  1      0.2190000              1.0000000        
F   1
  1      0.0884000              1.0000000        
G   1
  1      0.4681000              1.0000000        
G   1
  1      0.2143000              1.0000000


name: aug-cc-pVQZ-DK
description: VQZPD All-electron Douglas-Kroll Valence Quadruple Zeta + Polarization
elt: As
data:
ARSENIC
S   18
  1 13600341.0000000            0.0001281        
  2 2036507.3000000             0.0003562        
  3 463432.7800000              0.0009301        
  4 131259.9400000              0.0022276        
  5  42819.1920000              0.0052458        
  6  15457.0190000              0.0123309        
  7   6028.4583000              0.0291843        
  8   2500.5599000              0.0677198        
  9   1090.6149000              0.1452401        
 10    495.6215400              0.2619983        
 11    232.8166900              0.3403199        
 12    111.6311800              0.2425280        
 13     52.2699500              0.0560425        
 14     26.1498780             -0.0011099        
 15     13.0187570              0.0016505        
 16      6.1554320             -0.0007865        
 17      2.9591270              0.0003373        
 18      1.3738740             -0.0001501        
S   18
  1 13600341.0000000           -0.0000410        
  2 2036507.3000000            -0.0001140        
  3 463432.7800000             -0.0002982        
  4 131259.9400000             -0.0007162        
  5  42819.1920000             -0.0016948        
  6  15457.0190000             -0.0040157        
  7   6028.4583000             -0.0096556        
  8   2500.5599000             -0.0230687        
  9   1090.6149000             -0.0526016        
 10    495.6215400             -0.1070835        
 11    232.8166900             -0.1765278        
 12    111.6311800             -0.1715660        
 13     52.2699500              0.0889297        
 14     26.1498780              0.5189430        
 15     13.0187570              0.4676663        
 16      6.1554320              0.0928651        
 17      2.9591270              0.0007983        
 18      1.3738740              0.0016437        
S   18
  1 13600341.0000000            0.0000160        
  2 2036507.3000000             0.0000446        
  3 463432.7800000              0.0001166        
  4 131259.9400000              0.0002800        
  5  42819.1920000              0.0006633        
  6  15457.0190000              0.0015724        
  7   6028.4583000              0.0037917        
  8   2500.5599000              0.0090817        
  9   1090.6149000              0.0209082        
 10    495.6215400              0.0431594        
 11    232.8166900              0.0738090        
 12    111.6311800              0.0752721        
 13     52.2699500             -0.0451843        
 14     26.1498780             -0.3442939        
 15     13.0187570             -0.4482416        
 16      6.1554320              0.1391954        
 17      2.9591270              0.7228593        
 18      1.3738740              0.4085359        
S   18
  1 13600341.0000000           -0.0000044        
  2 2036507.3000000            -0.0000123        
  3 463432.7800000             -0.0000323        
  4 131259.9400000             -0.0000775        
  5  42819.1920000             -0.0001837        
  6  15457.0190000             -0.0004348        
  7   6028.4583000             -0.0010514        
  8   2500.5599000             -0.0025109        
  9   1090.6149000             -0.0058149        
 10    495.6215400             -0.0119527        
 11    232.8166900             -0.0207383        
 12    111.6311800             -0.0209056        
 13     52.2699500              0.0122366        
 14     26.1498780              0.1048581        
 15     13.0187570              0.1380268        
 16      6.1554320             -0.0476628        
 17      2.9591270             -0.3236730        
 18      1.3738740             -0.3260622        
S   1
  1      0.4088500              1.0000000        
S   1
  1      0.1945110              1.0000000        
S   1
  1      0.0836410              1.0000000        
S   1
  1      0.0324990              1.0000000        
P   13
  1  25570.4180000              0.0002043        
  2   6052.9237000              0.0008448        
  3   1965.7002000              0.0036482        
  4    751.7722900              0.0137712        
  5    318.6814000              0.0452467        
  6    145.1474900              0.1216992        
  7     69.5411620              0.2509195        
  8     34.4513760              0.3593791        
  9     17.4606100              0.2908093        
 10      8.8086090              0.0964509        
 11      4.3786460              0.0084783        
 12      2.1444050              0.0013971        
 13      1.0293500             -0.0000365        
P   13
  1  25570.4180000             -0.0000801        
  2   6052.9237000             -0.0003324        
  3   1965.7002000             -0.0014389        
  4    751.7722900             -0.0054824        
  5    318.6814000             -0.0182841        
  6    145.1474900             -0.0508440        
  7     69.5411620             -0.1093204        
  8     34.4513760             -0.1665310        
  9     17.4606100             -0.1119705        
 10      8.8086090              0.1582078        
 11      4.3786460              0.4394225        
 12      2.1444050              0.4147421        
 13      1.0293500              0.1396396        
P   13
  1  25570.4180000              0.0000178        
  2   6052.9237000              0.0000738        
  3   1965.7002000              0.0003210        
  4    751.7722900              0.0012174        
  5    318.6814000              0.0040936        
  6    145.1474900              0.0113436        
  7     69.5411620              0.0247398        
  8     34.4513760              0.0374810        
  9     17.4606100              0.0252354        
 10      8.8086090             -0.0462849        
 11      4.3786460             -0.1172897        
 12      2.1444050             -0.1395291        
 13      1.0293500              0.0036001        
P   1
  1      0.4046360              1.0000000        
P   1
  1      0.1656220              1.0000000        
P   1
  1      0.0656100              1.0000000        
P   1
  1      0.0236980              1.0000000        
D   9
  1    996.9796000              0.0001786        
  2    300.9851800              0.0015025        
  3    117.2347300              0.0082298        
  4     51.9569040              0.0311597        
  5     24.6894400              0.0876325        
  6     12.2951710              0.1843352        
  7      6.2446520              0.2794446        
  8      3.1554600              0.3157554        
  9      1.5680490              0.2578297        
D   1
  1      0.7486470              1.0000000        
D   1
  1      0.3191250              1.0000000        
D   1
  1      0.1300000              1.0000000        
D   1
  1      0.0531000              1.0000000        
F   1
  1      0.2640000              1.0000000        
F   1
  1      0.6440000              1.0000000        
F   1
  1      0.1132000              1.0000000        
G   1
  1      0.5465000              1.0000000        
G   1
  1      0.2390000              1.0000000


name: aug-cc-pVQZ-DK
description: VQZPD All-electron Douglas-Kroll Valence Quadruple Zeta + Polarization
elt: Se
data:
SELENIUM
S   18
  1 15011000.0000000            0.0001303        
  2 2247500.0000000             0.0003610        
  3 511450.0000000              0.0009384        
  4 144870.0000000              0.0022332        
  5  47261.0000000              0.0052164        
  6  17062.0000000              0.0121422        
  7   6654.5000000              0.0284669        
  8   2759.8000000              0.0656505        
  9   1203.2000000              0.1408188        
 10    546.5300000              0.2559985        
 11    256.6300000              0.3390371        
 12    123.1400000              0.2506722        
 13     58.2630000              0.0625857        
 14     29.0230000             -0.0003178        
 15     14.4650000              0.0015954        
 16      6.9348000             -0.0007685        
 17      3.3299000              0.0003278        
 18      1.5600000             -0.0001531        
S   18
  1 15011000.0000000           -0.0000419        
  2 2247500.0000000            -0.0001161        
  3 511450.0000000             -0.0003023        
  4 144870.0000000             -0.0007214        
  5  47261.0000000             -0.0016930        
  6  17062.0000000             -0.0039731        
  7   6654.5000000             -0.0094577        
  8   2759.8000000             -0.0224521        
  9   1203.2000000             -0.0510721        
 10    546.5300000             -0.1044447        
 11    256.6300000             -0.1739596        
 12    123.1400000             -0.1764504        
 13     58.2630000              0.0676008        
 14     29.0230000              0.5042927        
 15     14.4650000              0.4849518        
 16      6.9348000              0.1062494        
 17      3.3299000              0.0018677        
 18      1.5600000              0.0016392        
S   18
  1 15011000.0000000            0.0000165        
  2 2247500.0000000             0.0000459        
  3 511450.0000000              0.0001194        
  4 144870.0000000              0.0002850        
  5  47261.0000000              0.0006694        
  6  17062.0000000              0.0015720        
  7   6654.5000000              0.0037516        
  8   2759.8000000              0.0089320        
  9   1203.2000000              0.0204985        
 10    546.5300000              0.0425223        
 11    256.6300000              0.0733281        
 12    123.1400000              0.0781782        
 13     58.2630000             -0.0349730        
 14     29.0230000             -0.3325539        
 15     14.4650000             -0.4650068        
 16      6.9348000              0.0975826        
 17      3.3299000              0.7248941        
 18      1.5600000              0.4346646        
S   18
  1 15011000.0000000           -0.0000049        
  2 2247500.0000000            -0.0000135        
  3 511450.0000000             -0.0000350        
  4 144870.0000000             -0.0000836        
  5  47261.0000000             -0.0001966        
  6  17062.0000000             -0.0004610        
  7   6654.5000000             -0.0011032        
  8   2759.8000000             -0.0026187        
  9   1203.2000000             -0.0060460        
 10    546.5300000             -0.0124885        
 11    256.6300000             -0.0218509        
 12    123.1400000             -0.0230412        
 13     58.2630000              0.0098807        
 14     29.0230000              0.1074920        
 15     14.4650000              0.1523472        
 16      6.9348000             -0.0345796        
 17      3.3299000             -0.3461549        
 18      1.5600000             -0.3630380        
S   1
  1      0.4929100              1.0000000        
S   1
  1      0.2352500              1.0000000        
S   1
  1      0.1003700              1.0000000        
S   1
  1      0.0381520              1.0000000        
P   13
  1  25217.0000000              0.0002334        
  2   5969.9000000              0.0009661        
  3   1938.9000000              0.0041635        
  4    741.6600000              0.0156292        
  5    314.5000000              0.0508446        
  6    143.3100000              0.1342348        
  7     68.6500000              0.2687028        
  8     33.9950000              0.3654719        
  9     17.1850000              0.2695391        
 10      8.5740000              0.0766748        
 11      4.2206000              0.0049392        
 12      2.0521000              0.0012847        
 13      0.9615600             -0.0001905        
P   13
  1  25217.0000000             -0.0000929        
  2   5969.9000000             -0.0003857        
  3   1938.9000000             -0.0016666        
  4    741.6600000             -0.0063216        
  5    314.5000000             -0.0208964        
  6    143.3100000             -0.0571845        
  7     68.6500000             -0.1195375        
  8     33.9950000             -0.1730980        
  9     17.1850000             -0.0894815        
 10      8.5740000              0.2131136        
 11      4.2206000              0.4744642        
 12      2.0521000              0.3768487        
 13      0.9615600              0.0889947        
P   13
  1  25217.0000000              0.0000224        
  2   5969.9000000              0.0000931        
  3   1938.9000000              0.0004028        
  4    741.6600000              0.0015268        
  5    314.5000000              0.0050679        
  6    143.3100000              0.0138956        
  7     68.6500000              0.0293016        
  8     33.9950000              0.0426207        
  9     17.1850000              0.0205713        
 10      8.5740000             -0.0655065        
 11      4.2206000             -0.1440456        
 12      2.0521000             -0.1416899        
 13      0.9615600              0.0680594        
P   1
  1      0.4215100              1.0000000        
P   1
  1      0.1762600              1.0000000        
P   1
  1      0.0706630              1.0000000        
P   1
  1      0.0265690              1.0000000        
D   9
  1   1143.4000000              0.0001630        
  2    345.3300000              0.0013598        
  3    134.4600000              0.0075189        
  4     59.5670000              0.0290814        
  5     28.2830000              0.0837798        
  6     14.0610000              0.1811677        
  7      7.1390000              0.2812152        
  8      3.6148000              0.3214168        
  9      1.8072000              0.2588963        
D   1
  1      0.8694400              1.0000000        
D   1
  1      0.3703600              1.0000000        
D   1
  1      0.1530000              1.0000000        
D   1
  1      0.0619000              1.0000000        
F   1
  1      0.2840000              1.0000000        
F   1
  1      0.7097000              1.0000000        
F   1
  1      0.1240000              1.0000000        
G   1
  1      0.5730000              1.0000000        
G   1
  1      0.2630000              1.0000000


name: aug-cc-pVQZ-DK
description: VQZPD All-electron Douglas-Kroll Valence Quadruple Zeta + Polarization
elt: Br
data:
BROMINE
S   18
  1 16475000.0000000            0.0001329        
  2 2466600.0000000             0.0003668        
  3 561310.0000000              0.0009494        
  4 158990.0000000              0.0022461        
  5  51869.0000000              0.0052073        
  6  18726.0000000              0.0120104        
  7   7303.6000000              0.0279010        
  8   3029.1000000              0.0638973        
  9   1320.8000000              0.1368623        
 10    600.0300000              0.2502349        
 11    281.9000000              0.3368755        
 12    135.5400000              0.2577522        
 13     64.8700000              0.0695754        
 14     32.1290000              0.0007984        
 15     16.0370000              0.0014489        
 16      7.7849000             -0.0007014        
 17      3.7247000              0.0002926        
 18      1.7583000             -0.0001453        
S   18
  1 16475000.0000000           -0.0000429        
  2 2466600.0000000            -0.0001185        
  3 561310.0000000             -0.0003072        
  4 158990.0000000             -0.0007289        
  5  51869.0000000             -0.0016976        
  6  18726.0000000             -0.0039484        
  7   7303.6000000             -0.0093084        
  8   3029.1000000             -0.0219410        
  9   1320.8000000             -0.0497226        
 10    600.0300000             -0.1019813        
 11    281.9000000             -0.1711437        
 12    135.5400000             -0.1802775        
 13     64.8700000              0.0473692        
 14     32.1290000              0.4879628        
 15     16.0370000              0.5006495        
 16      7.7849000              0.1208402        
 17      3.7247000              0.0032118        
 18      1.7583000              0.0015939        
S   18
  1 16475000.0000000            0.0000171        
  2 2466600.0000000             0.0000473        
  3 561310.0000000              0.0001226        
  4 158990.0000000              0.0002908        
  5  51869.0000000              0.0006779        
  6  18726.0000000              0.0015780        
  7   7303.6000000              0.0037286        
  8   3029.1000000              0.0088178        
  9   1320.8000000              0.0201457        
 10    600.0300000              0.0419299        
 11    281.9000000              0.0727123        
 12    135.5400000              0.0806250        
 13     64.8700000             -0.0252254        
 14     32.1290000             -0.3199661        
 15     16.0370000             -0.4794888        
 16      7.7849000              0.0572749        
 17      3.7247000              0.7253427        
 18      1.7583000              0.4588536        
S   18
  1 16475000.0000000           -0.0000053        
  2 2466600.0000000            -0.0000145        
  3 561310.0000000             -0.0000377        
  4 158990.0000000             -0.0000894        
  5  51869.0000000             -0.0002085        
  6  18726.0000000             -0.0004847        
  7   7303.6000000             -0.0011486        
  8   3029.1000000             -0.0027081        
  9   1320.8000000             -0.0062245        
 10    600.0300000             -0.0129000        
 11    281.9000000             -0.0226984        
 12    135.5400000             -0.0249048        
 13     64.8700000              0.0072616        
 14     32.1290000              0.1083844        
 15     16.0370000              0.1650089        
 16      7.7849000             -0.0201229        
 17      3.7247000             -0.3644571        
 18      1.7583000             -0.3967725        
S   1
  1      0.5833100              1.0000000        
S   1
  1      0.2785600              1.0000000        
S   1
  1      0.1182900              1.0000000        
S   1
  1      0.0442700              1.0000000        
P   13
  1  26607.0000000              0.0002461        
  2   6298.2000000              0.0010035        
  3   2045.2000000              0.0042844        
  4    782.1600000              0.0159811        
  5    331.6300000              0.0518132        
  6    151.1100000              0.1363384        
  7     72.3920000              0.2717214        
  8     35.8620000              0.3662189        
  9     18.1340000              0.2655160        
 10      9.0430000              0.0736289        
 11      4.4500000              0.0044829        
 12      2.1661000              0.0012090        
 13      0.9962800             -0.0002215        
P   13
  1  26607.0000000             -0.0000993        
  2   6298.2000000             -0.0004062        
  3   2045.2000000             -0.0017392        
  4    782.1600000             -0.0065556        
  5    331.6300000             -0.0216064        
  6    151.1100000             -0.0589530        
  7     72.3920000             -0.1228123        
  8     35.8620000             -0.1761001        
  9     18.1340000             -0.0853725        
 10      9.0430000              0.2264412        
 11      4.4500000              0.4859297        
 12      2.1661000              0.3651096        
 13      0.9962800              0.0748584        
P   13
  1  26607.0000000              0.0000257        
  2   6298.2000000              0.0001050        
  3   2045.2000000              0.0004497        
  4    782.1600000              0.0016974        
  5    331.6300000              0.0056053        
  6    151.1100000              0.0153694        
  7     72.3920000              0.0322002        
  8     35.8620000              0.0466542        
  9     18.1340000              0.0202782        
 10      9.0430000             -0.0742025        
 11      4.4500000             -0.1630600        
 12      2.1661000             -0.1454754        
 13      0.9962800              0.1117576        
P   1
  1      0.4544300              1.0000000        
P   1
  1      0.1940400              1.0000000        
P   1
  1      0.0789970              1.0000000        
P   1
  1      0.0305130              1.0000000        
D   9
  1   1289.6000000              0.0001527        
  2    389.7500000              0.0012619        
  3    151.7600000              0.0070154        
  4     67.2230000              0.0275756        
  5     31.9130000              0.0809015        
  6     15.8570000              0.1786691        
  7      8.0545000              0.2826135        
  8      4.0887000              0.3259893        
  9      2.0556000              0.2592316        
D   1
  1      0.9950900              1.0000000        
D   1
  1      0.4231300              1.0000000        
D   1
  1      0.1779000              1.0000000        
D   1
  1      0.0829000              1.0000000        
F   1
  1      0.3407000              1.0000000        
F   1
  1      0.8257000              1.0000000        
F   1
  1      0.1748000              1.0000000        
G   1
  1      0.6491000              1.0000000        
G   1
  1      0.3110000              1.0000000


name: aug-cc-pVQZ-DK
description: VQZPD All-electron Douglas-Kroll Valence Quadruple Zeta + Polarization
elt: Kr
data:
KRYPTON
S   18
  1 18226108.0000000            0.0001346        
  2 2728802.5000000             0.0003699        
  3 620997.7100000              0.0009532        
  4 175899.5800000              0.0022414        
  5  57387.4970000              0.0051564        
  6  20717.1810000              0.0117831        
  7   8078.8899000              0.0271181        
  8   3349.5170000              0.0617018        
  9   1459.7812000              0.1320938        
 10    662.8939100              0.2433513        
 11    311.3921500              0.3342231        
 12    149.9375100              0.2660010        
 13     72.4982490              0.0783391        
 14     35.5693540              0.0022830        
 15     17.7666330              0.0012440        
 16      8.7123830             -0.0006064        
 17      4.1449710              0.0002445        
 18      1.9696490             -0.0001311        
S   18
  1 18226108.0000000           -0.0000436        
  2 2728802.5000000            -0.0001200        
  3 620997.7100000             -0.0003098        
  4 175899.5800000             -0.0007306        
  5  57387.4970000             -0.0016882        
  6  20717.1810000             -0.0038910        
  7   8078.8899000             -0.0090818        
  8   3349.5170000             -0.0212637        
  9   1459.7812000             -0.0480311        
 10    662.8939100             -0.0989321        
 11    311.3921500             -0.1676847        
 12    149.9375100             -0.1842099        
 13     72.4982490              0.0259546        
 14     35.5693540              0.4697271        
 15     17.7666330              0.5159235        
 16      8.7123830              0.1369852        
 17      4.1449710              0.0048179        
 18      1.9696490              0.0015158        
S   18
  1 18226108.0000000            0.0000176        
  2 2728802.5000000             0.0000483        
  3 620997.7100000              0.0001248        
  4 175899.5800000              0.0002943        
  5  57387.4970000              0.0006806        
  6  20717.1810000              0.0015702        
  7   8078.8899000              0.0036720        
  8   3349.5170000              0.0086288        
  9   1459.7812000              0.0196348        
 10    662.8939100              0.0410530        
 11    311.3921500              0.0717503        
 12    149.9375100              0.0830652        
 13     72.4982490             -0.0147751        
 14     35.5693540             -0.3060106        
 15     17.7666330             -0.4924458        
 16      8.7123830              0.0173704        
 17      4.1449710              0.7241199        
 18      1.9696490              0.4816145        
S   18
  1 18226108.0000000           -0.0000056        
  2 2728802.5000000            -0.0000154        
  3 620997.7100000             -0.0000398        
  4 175899.5800000             -0.0000939        
  5  57387.4970000             -0.0002175        
  6  20717.1810000             -0.0005010        
  7   8078.8899000             -0.0011749        
  8   3349.5170000             -0.0027527        
  9   1459.7812000             -0.0063013        
 10    662.8939100             -0.0131196        
 11    311.3921500             -0.0232625        
 12    149.9375100             -0.0266687        
 13     72.4982490              0.0041194        
 14     35.5693540              0.1076512        
 15     17.7666330              0.1764312        
 16      8.7123830             -0.0044879        
 17      4.1449710             -0.3791695        
 18      1.9696490             -0.4281149        
S   1
  1      0.6799520              1.0000000        
S   1
  1      0.3245020              1.0000000        
S   1
  1      0.1374410              1.0000000        
S   1
  1      0.0503880              1.0000000        
P   13
  1  28600.8310000              0.0002534        
  2   6770.9912000              0.0010131        
  3   2199.0489000              0.0042729        
  4    841.1795700              0.0158146        
  5    356.7663300              0.0511469        
  6    162.6362000              0.1347035        
  7     77.9660350              0.2695313        
  8     38.6614890              0.3656351        
  9     19.5767910              0.2680330        
 10      9.7917610              0.0758652        
 11      4.8353830              0.0047626        
 12      2.3681250              0.0011771        
 13      1.0899960             -0.0002294        
P   13
  1  28600.8310000             -0.0001036        
  2   6770.9912000             -0.0004157        
  3   2199.0489000             -0.0017585        
  4    841.1795700             -0.0065757        
  5    356.7663300             -0.0216222        
  6    162.6362000             -0.0590317        
  7     77.9660350             -0.1235313        
  8     38.6614890             -0.1782107        
  9     19.5767910             -0.0889368        
 10      9.7917610              0.2246505        
 11      4.8353830              0.4903919        
 12      2.3681250              0.3649839        
 13      1.0899960              0.0721021        
P   13
  1  28600.8310000              0.0000281        
  2   6770.9912000              0.0001129        
  3   2199.0489000              0.0004774        
  4    841.1795700              0.0017895        
  5    356.7663300              0.0058901        
  6    162.6362000              0.0161827        
  7     77.9660350              0.0340172        
  8     38.6614890              0.0497318        
  9     19.5767910              0.0220555        
 10      9.7917610             -0.0778025        
 11      4.8353830             -0.1765263        
 12      2.3681250             -0.1520689        
 13      1.0899960              0.1361487        
P   1
  1      0.5045880              1.0000000        
P   1
  1      0.2184550              1.0000000        
P   1
  1      0.0899590              1.0000000        
P   1
  1      0.0344570              1.0000000        
D   9
  1   1437.7792000              0.0001457        
  2    434.2684600              0.0011947        
  3    168.9269900              0.0066778        
  4     74.7775350              0.0265666        
  5     35.5160240              0.0788804        
  6     17.6710510              0.1764128        
  7      9.0046110              0.2825681        
  8      4.5947730              0.3287200        
  9      2.3264860              0.2596116        
D   1
  1      1.1332470              1.0000000        
D   1
  1      0.4813070              1.0000000        
D   1
  1      0.2053000              1.0000000        
D   1
  1      0.1039000              1.0000000        
F   1
  1      0.4130000              1.0000000        
F   1
  1      0.9557000              1.0000000        
F   1
  1      0.2256000              1.0000000        
G   1
  1      0.7395000              1.0000000        
G   1
  1      0.3590000              1.0000000


name: aug-cc-pVQZ-NR MP2 Fitting
description: MP2 auxiliary basis for use with aug-cc-pVQZ-NR AO basis set
elt: Sc
data:
SCANDIUM
S   1
  1    215.6790000              1.0000000        
S   1
  1    126.6830000              1.0000000        
S   1
  1     52.1795000              1.0000000        
S   1
  1     20.6449000              1.0000000        
S   1
  1      8.2952400              1.0000000        
S   1
  1      3.4988700              1.0000000        
S   1
  1      1.8986600              1.0000000        
S   1
  1      1.2271600              1.0000000        
S   1
  1      0.7584390              1.0000000        
S   1
  1      0.4723890              1.0000000        
S   1
  1      0.1692090              1.0000000        
S   1
  1      0.0909070              1.0000000        
S   1
  1      0.0509670              1.0000000        
S   1
  1      0.0285740              1.0000000        
P   1
  1    106.9170000              1.0000000        
P   1
  1     37.3716000              1.0000000        
P   1
  1     18.1065000              1.0000000        
P   1
  1      7.9133000              1.0000000        
P   1
  1      3.2428400              1.0000000        
P   1
  1      1.6726900              1.0000000        
P   1
  1      0.8150120              1.0000000        
P   1
  1      0.6079970              1.0000000        
P   1
  1      0.4283020              1.0000000        
P   1
  1      0.1788320              1.0000000        
P   1
  1      0.1023810              1.0000000        
P   1
  1      0.0526820              1.0000000        
P   1
  1      0.0271090              1.0000000        
D   1
  1     27.4621000              1.0000000        
D   1
  1      8.6024900              1.0000000        
D   1
  1      5.3722300              1.0000000        
D   1
  1      2.5792900              1.0000000        
D   1
  1      1.4992400              1.0000000        
D   1
  1      0.7743910              1.0000000        
D   1
  1      0.3675720              1.0000000        
D   1
  1      0.1859760              1.0000000        
D   1
  1      0.1049200              1.0000000        
D   1
  1      0.0527290              1.0000000        
D   1
  1      0.0265000              1.0000000        
F   1
  1     18.3645000              1.0000000        
F   1
  1      7.4498000              1.0000000        
F   1
  1      2.8649600              1.0000000        
F   1
  1      1.7096600              1.0000000        
F   1
  1      0.8508920              1.0000000        
F   1
  1      0.5235400              1.0000000        
F   1
  1      0.2536730              1.0000000        
F   1
  1      0.1508660              1.0000000        
F   1
  1      0.0726910              1.0000000        
F   1
  1      0.0350240              1.0000000        
G   1
  1     11.8669000              1.0000000        
G   1
  1      4.1832100              1.0000000        
G   1
  1      1.7499100              1.0000000        
G   1
  1      1.0134900              1.0000000        
G   1
  1      0.3030700              1.0000000        
G   1
  1      0.1762710              1.0000000        
G   1
  1      0.0874220              1.0000000        
G   1
  1      0.0433580              1.0000000        
H   1
  1      4.8975300              1.0000000        
H   1
  1      2.2325100              1.0000000        
H   1
  1      0.9895890              1.0000000        
H   1
  1      0.5648920              1.0000000        
H   1
  1      0.2532280              1.0000000        
H   1
  1      0.1135160              1.0000000        
I   1
  1      4.0664100              1.0000000        
I   1
  1      1.7037900              1.0000000        
I   1
  1      0.9028570              1.0000000        
I   1
  1      0.4455150              1.0000000        
I   1
  1      0.2198400              1.0000000        
K   1
  1      1.8807300              1.0000000        
K   1
  1      0.7995290              1.0000000        
K   1
  1      0.3398930              1.0000000


name: aug-cc-pVQZ-NR MP2 Fitting
description: MP2 auxiliary basis for use with aug-cc-pVQZ-NR AO basis set
elt: Ti
data:
TITANIUM
S   1
  1    233.3170000              1.0000000        
S   1
  1    142.5390000              1.0000000        
S   1
  1     61.2313000              1.0000000        
S   1
  1     24.7638000              1.0000000        
S   1
  1      9.4744000              1.0000000        
S   1
  1      3.6212800              1.0000000        
S   1
  1      1.9132200              1.0000000        
S   1
  1      1.2305000              1.0000000        
S   1
  1      0.7594350              1.0000000        
S   1
  1      0.4941400              1.0000000        
S   1
  1      0.2120330              1.0000000        
S   1
  1      0.1114080              1.0000000        
S   1
  1      0.0546720              1.0000000        
S   1
  1      0.0268300              1.0000000        
P   1
  1    112.5550000              1.0000000        
P   1
  1     40.2767000              1.0000000        
P   1
  1     19.4593000              1.0000000        
P   1
  1      8.7684700              1.0000000        
P   1
  1      4.2470700              1.0000000        
P   1
  1      1.9789400              1.0000000        
P   1
  1      0.8349170              1.0000000        
P   1
  1      0.6422020              1.0000000        
P   1
  1      0.4705880              1.0000000        
P   1
  1      0.2135510              1.0000000        
P   1
  1      0.1166570              1.0000000        
P   1
  1      0.0560040              1.0000000        
P   1
  1      0.0268860              1.0000000        
D   1
  1     32.6615000              1.0000000        
D   1
  1     15.2374000              1.0000000        
D   1
  1      7.4239000              1.0000000        
D   1
  1      3.4226100              1.0000000        
D   1
  1      1.6203600              1.0000000        
D   1
  1      0.8022810              1.0000000        
D   1
  1      0.4245090              1.0000000        
D   1
  1      0.1993150              1.0000000        
D   1
  1      0.1314080              1.0000000        
D   1
  1      0.0621810              1.0000000        
D   1
  1      0.0294230              1.0000000        
F   1
  1     20.5465000              1.0000000        
F   1
  1      8.0235200              1.0000000        
F   1
  1      3.2050000              1.0000000        
F   1
  1      1.7818800              1.0000000        
F   1
  1      0.9793350              1.0000000        
F   1
  1      0.6264680              1.0000000        
F   1
  1      0.2745170              1.0000000        
F   1
  1      0.1600850              1.0000000        
F   1
  1      0.0842500              1.0000000        
F   1
  1      0.0443400              1.0000000        
G   1
  1     12.8787000              1.0000000        
G   1
  1      4.6652900              1.0000000        
G   1
  1      1.9560800              1.0000000        
G   1
  1      0.8952370              1.0000000        
G   1
  1      0.4687060              1.0000000        
G   1
  1      0.1982770              1.0000000        
G   1
  1      0.0973030              1.0000000        
G   1
  1      0.0477500              1.0000000        
H   1
  1      5.5184300              1.0000000        
H   1
  1      2.9459100              1.0000000        
H   1
  1      1.3936800              1.0000000        
H   1
  1      0.8961590              1.0000000        
H   1
  1      0.3410490              1.0000000        
H   1
  1      0.1297920              1.0000000        
I   1
  1      4.2342200              1.0000000        
I   1
  1      2.2185800              1.0000000        
I   1
  1      1.2471400              1.0000000        
I   1
  1      0.6153230              1.0000000        
I   1
  1      0.3035920              1.0000000        
K   1
  1      2.4941100              1.0000000        
K   1
  1      1.2426500              1.0000000        
K   1
  1      0.6191260              1.0000000


name: aug-cc-pVQZ-NR MP2 Fitting
description: MP2 auxiliary basis for use with aug-cc-pVQZ-NR AO basis set
elt: V
data:
VANADIUM
S   1
  1    286.9330000              1.0000000        
S   1
  1    157.7470000              1.0000000        
S   1
  1     69.1582000              1.0000000        
S   1
  1     28.5322000              1.0000000        
S   1
  1     11.2122000              1.0000000        
S   1
  1      6.1921000              1.0000000        
S   1
  1      3.2433500              1.0000000        
S   1
  1      1.8842600              1.0000000        
S   1
  1      0.9050660              1.0000000        
S   1
  1      0.5435840              1.0000000        
S   1
  1      0.2235610              1.0000000        
S   1
  1      0.0890980              1.0000000        
S   1
  1      0.0642670              1.0000000        
S   1
  1      0.0463560              1.0000000        
P   1
  1    124.2770000              1.0000000        
P   1
  1     52.3316000              1.0000000        
P   1
  1     21.7522000              1.0000000        
P   1
  1      9.8330700              1.0000000        
P   1
  1      5.2952900              1.0000000        
P   1
  1      2.5703900              1.0000000        
P   1
  1      1.0170600              1.0000000        
P   1
  1      0.7864650              1.0000000        
P   1
  1      0.5750130              1.0000000        
P   1
  1      0.2175350              1.0000000        
P   1
  1      0.1171890              1.0000000        
P   1
  1      0.0626040              1.0000000        
P   1
  1      0.0334440              1.0000000        
D   1
  1     50.2711000              1.0000000        
D   1
  1     16.7760000              1.0000000        
D   1
  1      8.1791500              1.0000000        
D   1
  1      3.5273000              1.0000000        
D   1
  1      2.1111500              1.0000000        
D   1
  1      0.8968620              1.0000000        
D   1
  1      0.6762530              1.0000000        
D   1
  1      0.3021950              1.0000000        
D   1
  1      0.1580750              1.0000000        
D   1
  1      0.0794760              1.0000000        
D   1
  1      0.0399590              1.0000000        
F   1
  1     29.8687000              1.0000000        
F   1
  1      9.5644700              1.0000000        
F   1
  1      4.6538900              1.0000000        
F   1
  1      2.3923100              1.0000000        
F   1
  1      1.3970100              1.0000000        
F   1
  1      0.7892970              1.0000000        
F   1
  1      0.3940030              1.0000000        
F   1
  1      0.2468090              1.0000000        
F   1
  1      0.1265300              1.0000000        
F   1
  1      0.0648670              1.0000000        
G   1
  1     19.1913000              1.0000000        
G   1
  1      6.7624400              1.0000000        
G   1
  1      2.7651800              1.0000000        
G   1
  1      1.4981000              1.0000000        
G   1
  1      0.6838040              1.0000000        
G   1
  1      0.4421030              1.0000000        
G   1
  1      0.1504660              1.0000000        
G   1
  1      0.0512100              1.0000000        
H   1
  1      9.6107500              1.0000000        
H   1
  1      4.5797700              1.0000000        
H   1
  1      2.1908900              1.0000000        
H   1
  1      1.3395800              1.0000000        
H   1
  1      0.5421980              1.0000000        
H   1
  1      0.2194570              1.0000000        
I   1
  1      5.9493200              1.0000000        
I   1
  1      3.1740300              1.0000000        
I   1
  1      1.8053500              1.0000000        
I   1
  1      0.9253370              1.0000000        
I   1
  1      0.4742860              1.0000000        
K   1
  1      3.7783200              1.0000000        
K   1
  1      1.9297600              1.0000000        
K   1
  1      0.9856210              1.0000000


name: aug-cc-pVQZ-NR MP2 Fitting
description: MP2 auxiliary basis for use with aug-cc-pVQZ-NR AO basis set
elt: Cr
data:
CHROMIUM
S   1
  1    328.8940000              1.0000000        
S   1
  1    165.7300000              1.0000000        
S   1
  1     75.1535000              1.0000000        
S   1
  1     31.5321000              1.0000000        
S   1
  1     13.1886000              1.0000000        
S   1
  1      7.0688800              1.0000000        
S   1
  1      3.7590700              1.0000000        
S   1
  1      1.9650100              1.0000000        
S   1
  1      0.8985760              1.0000000        
S   1
  1      0.5210470              1.0000000        
S   1
  1      0.2175680              1.0000000        
S   1
  1      0.0862130              1.0000000        
S   1
  1      0.0649180              1.0000000        
S   1
  1      0.0488820              1.0000000        
P   1
  1    139.3180000              1.0000000        
P   1
  1     58.4358000              1.0000000        
P   1
  1     25.8858000              1.0000000        
P   1
  1     11.7726000              1.0000000        
P   1
  1      6.5543500              1.0000000        
P   1
  1      3.3386300              1.0000000        
P   1
  1      1.1195300              1.0000000        
P   1
  1      0.7623470              1.0000000        
P   1
  1      0.5542060              1.0000000        
P   1
  1      0.2794210              1.0000000        
P   1
  1      0.1220900              1.0000000        
P   1
  1      0.0669280              1.0000000        
P   1
  1      0.0366890              1.0000000        
D   1
  1     86.2913000              1.0000000        
D   1
  1     18.4390000              1.0000000        
D   1
  1      9.1407200              1.0000000        
D   1
  1      3.6158800              1.0000000        
D   1
  1      2.4928200              1.0000000        
D   1
  1      0.9828200              1.0000000        
D   1
  1      0.7225860              1.0000000        
D   1
  1      0.3443910              1.0000000        
D   1
  1      0.1665210              1.0000000        
D   1
  1      0.0851030              1.0000000        
D   1
  1      0.0434930              1.0000000        
F   1
  1     41.5721000              1.0000000        
F   1
  1     11.7171000              1.0000000        
F   1
  1      5.6425200              1.0000000        
F   1
  1      2.5212500              1.0000000        
F   1
  1      1.6109700              1.0000000        
F   1
  1      0.7366710              1.0000000        
F   1
  1      0.4469730              1.0000000        
F   1
  1      0.2815540              1.0000000        
F   1
  1      0.1473640              1.0000000        
F   1
  1      0.0771300              1.0000000        
G   1
  1     25.9176000              1.0000000        
G   1
  1      8.5051800              1.0000000        
G   1
  1      3.3872800              1.0000000        
G   1
  1      1.6098800              1.0000000        
G   1
  1      0.8051420              1.0000000        
G   1
  1      0.3466380              1.0000000        
G   1
  1      0.1604490              1.0000000        
G   1
  1      0.0742680              1.0000000        
H   1
  1     14.4473000              1.0000000        
H   1
  1      6.1120300              1.0000000        
H   1
  1      2.5079600              1.0000000        
H   1
  1      1.5474600              1.0000000        
H   1
  1      0.6052380              1.0000000        
H   1
  1      0.2367190              1.0000000        
I   1
  1      7.2585700              1.0000000        
I   1
  1      3.7941700              1.0000000        
I   1
  1      1.8947300              1.0000000        
I   1
  1      1.0240500              1.0000000        
I   1
  1      0.5534740              1.0000000        
K   1
  1      4.4406500              1.0000000        
K   1
  1      2.3385700              1.0000000        
K   1
  1      1.2315500              1.0000000


name: aug-cc-pVQZ-NR MP2 Fitting
description: MP2 auxiliary basis for use with aug-cc-pVQZ-NR AO basis set
elt: Mn
data:
MANGANESE
S   1
  1    396.4500000              1.0000000        
S   1
  1    178.2130000              1.0000000        
S   1
  1     79.4473000              1.0000000        
S   1
  1     33.6302000              1.0000000        
S   1
  1     14.8097000              1.0000000        
S   1
  1      7.2911800              1.0000000        
S   1
  1      4.2578700              1.0000000        
S   1
  1      2.0392900              1.0000000        
S   1
  1      0.9907890              1.0000000        
S   1
  1      0.5483150              1.0000000        
S   1
  1      0.2429700              1.0000000        
S   1
  1      0.0927930              1.0000000        
S   1
  1      0.0704030              1.0000000        
S   1
  1      0.0534160              1.0000000        
P   1
  1    148.7080000              1.0000000        
P   1
  1     62.2112000              1.0000000        
P   1
  1     26.0701000              1.0000000        
P   1
  1     12.3547000              1.0000000        
P   1
  1      7.2605200              1.0000000        
P   1
  1      4.1708100              1.0000000        
P   1
  1      1.3932100              1.0000000        
P   1
  1      0.8122440              1.0000000        
P   1
  1      0.5847270              1.0000000        
P   1
  1      0.2989110              1.0000000        
P   1
  1      0.1227890              1.0000000        
P   1
  1      0.0707740              1.0000000        
P   1
  1      0.0407930              1.0000000        
D   1
  1    111.8230000              1.0000000        
D   1
  1     20.3436000              1.0000000        
D   1
  1      9.4402400              1.0000000        
D   1
  1      4.1591300              1.0000000        
D   1
  1      2.9120800              1.0000000        
D   1
  1      1.1853800              1.0000000        
D   1
  1      0.8454790              1.0000000        
D   1
  1      0.3893500              1.0000000        
D   1
  1      0.1907820              1.0000000        
D   1
  1      0.0935000              1.0000000        
D   1
  1      0.0458230              1.0000000        
F   1
  1     44.8867000              1.0000000        
F   1
  1     12.0752000              1.0000000        
F   1
  1      6.1188100              1.0000000        
F   1
  1      2.7575500              1.0000000        
F   1
  1      1.8068500              1.0000000        
F   1
  1      0.8121220              1.0000000        
F   1
  1      0.4862330              1.0000000        
F   1
  1      0.2829960              1.0000000        
F   1
  1      0.1495920              1.0000000        
F   1
  1      0.0790750              1.0000000        
G   1
  1     29.6187000              1.0000000        
G   1
  1      9.7274100              1.0000000        
G   1
  1      3.9549100              1.0000000        
G   1
  1      1.8216600              1.0000000        
G   1
  1      0.9446910              1.0000000        
G   1
  1      0.3838840              1.0000000        
G   1
  1      0.1866240              1.0000000        
G   1
  1      0.0907270              1.0000000        
H   1
  1     18.5711000              1.0000000        
H   1
  1      7.3785600              1.0000000        
H   1
  1      2.9772100              1.0000000        
H   1
  1      1.8533000              1.0000000        
H   1
  1      0.7278420              1.0000000        
H   1
  1      0.2858430              1.0000000        
I   1
  1      8.1215600              1.0000000        
I   1
  1      4.4168800              1.0000000        
I   1
  1      1.8610600              1.0000000        
I   1
  1      1.1111200              1.0000000        
I   1
  1      0.6633820              1.0000000        
K   1
  1      5.3992600              1.0000000        
K   1
  1      2.8078600              1.0000000        
K   1
  1      1.4602200              1.0000000


name: aug-cc-pVQZ-NR MP2 Fitting
description: MP2 auxiliary basis for use with aug-cc-pVQZ-NR AO basis set
elt: Fe
data:
IRON
S   1
  1    423.8440000              1.0000000        
S   1
  1    186.6100000              1.0000000        
S   1
  1     82.3759000              1.0000000        
S   1
  1     35.1298000              1.0000000        
S   1
  1     15.2303000              1.0000000        
S   1
  1      8.1093200              1.0000000        
S   1
  1      4.4798400              1.0000000        
S   1
  1      2.2324500              1.0000000        
S   1
  1      1.1091300              1.0000000        
S   1
  1      0.6916570              1.0000000        
S   1
  1      0.2634300              1.0000000        
S   1
  1      0.1044300              1.0000000        
S   1
  1      0.0727640              1.0000000        
S   1
  1      0.0506990              1.0000000        
P   1
  1    155.1060000              1.0000000        
P   1
  1     69.3054000              1.0000000        
P   1
  1     28.1861000              1.0000000        
P   1
  1     13.4105000              1.0000000        
P   1
  1      8.5524800              1.0000000        
P   1
  1      4.8202500              1.0000000        
P   1
  1      1.6235500              1.0000000        
P   1
  1      0.9495730              1.0000000        
P   1
  1      0.6425840              1.0000000        
P   1
  1      0.3147260              1.0000000        
P   1
  1      0.1303630              1.0000000        
P   1
  1      0.0760120              1.0000000        
P   1
  1      0.0443210              1.0000000        
D   1
  1    132.7750000              1.0000000        
D   1
  1     23.0075000              1.0000000        
D   1
  1      9.7901500              1.0000000        
D   1
  1      4.4153400              1.0000000        
D   1
  1      3.1400700              1.0000000        
D   1
  1      1.3110000              1.0000000        
D   1
  1      0.8772670              1.0000000        
D   1
  1      0.4141220              1.0000000        
D   1
  1      0.2107230              1.0000000        
D   1
  1      0.1014780              1.0000000        
D   1
  1      0.0488690              1.0000000        
F   1
  1     46.8343000              1.0000000        
F   1
  1     11.9976000              1.0000000        
F   1
  1      6.6549700              1.0000000        
F   1
  1      2.9738300              1.0000000        
F   1
  1      1.9178700              1.0000000        
F   1
  1      0.9105230              1.0000000        
F   1
  1      0.5837290              1.0000000        
F   1
  1      0.3297620              1.0000000        
F   1
  1      0.1615100              1.0000000        
F   1
  1      0.0791040              1.0000000        
G   1
  1     30.7728000              1.0000000        
G   1
  1     10.7782000              1.0000000        
G   1
  1      4.6512100              1.0000000        
G   1
  1      2.1115300              1.0000000        
G   1
  1      1.1314500              1.0000000        
G   1
  1      0.4477460              1.0000000        
G   1
  1      0.2090830              1.0000000        
G   1
  1      0.0976350              1.0000000        
H   1
  1     19.9567000              1.0000000        
H   1
  1      8.2966300              1.0000000        
H   1
  1      3.3088600              1.0000000        
H   1
  1      1.9718300              1.0000000        
H   1
  1      0.8510110              1.0000000        
H   1
  1      0.3672840              1.0000000        
I   1
  1      8.8058400              1.0000000        
I   1
  1      5.0245600              1.0000000        
I   1
  1      2.0699000              1.0000000        
I   1
  1      1.1860600              1.0000000        
I   1
  1      0.6796130              1.0000000        
K   1
  1      6.7531700              1.0000000        
K   1
  1      3.3813800              1.0000000        
K   1
  1      1.6930900              1.0000000


name: aug-cc-pVQZ-NR MP2 Fitting
description: MP2 auxiliary basis for use with aug-cc-pVQZ-NR AO basis set
elt: Co
data:
COBALT
S   1
  1    447.2700000              1.0000000        
S   1
  1    202.4970000              1.0000000        
S   1
  1     89.6711000              1.0000000        
S   1
  1     40.2674000              1.0000000        
S   1
  1     16.4337000              1.0000000        
S   1
  1      8.7133000              1.0000000        
S   1
  1      4.8782500              1.0000000        
S   1
  1      2.6300400              1.0000000        
S   1
  1      1.1464800              1.0000000        
S   1
  1      0.6941590              1.0000000        
S   1
  1      0.2729720              1.0000000        
S   1
  1      0.1133450              1.0000000        
S   1
  1      0.0686660              1.0000000        
S   1
  1      0.0415990              1.0000000        
P   1
  1    167.2990000              1.0000000        
P   1
  1     77.0368000              1.0000000        
P   1
  1     31.1151000              1.0000000        
P   1
  1     14.8411000              1.0000000        
P   1
  1      9.2093600              1.0000000        
P   1
  1      5.3879200              1.0000000        
P   1
  1      1.8047800              1.0000000        
P   1
  1      1.0659700              1.0000000        
P   1
  1      0.6649480              1.0000000        
P   1
  1      0.3302710              1.0000000        
P   1
  1      0.1375200              1.0000000        
P   1
  1      0.0791000              1.0000000        
P   1
  1      0.0454970              1.0000000        
D   1
  1    138.0450000              1.0000000        
D   1
  1     26.0241000              1.0000000        
D   1
  1     10.3336000              1.0000000        
D   1
  1      4.8292500              1.0000000        
D   1
  1      3.2686600              1.0000000        
D   1
  1      1.4326700              1.0000000        
D   1
  1      0.7668870              1.0000000        
D   1
  1      0.4106890              1.0000000        
D   1
  1      0.2276390              1.0000000        
D   1
  1      0.1087070              1.0000000        
D   1
  1      0.0519120              1.0000000        
F   1
  1     51.1731000              1.0000000        
F   1
  1     13.4732000              1.0000000        
F   1
  1      7.9887500              1.0000000        
F   1
  1      3.5741600              1.0000000        
F   1
  1      2.4005900              1.0000000        
F   1
  1      1.0197700              1.0000000        
F   1
  1      0.6295740              1.0000000        
F   1
  1      0.2740730              1.0000000        
F   1
  1      0.1520760              1.0000000        
F   1
  1      0.0843830              1.0000000        
G   1
  1     33.3625000              1.0000000        
G   1
  1     11.9146000              1.0000000        
G   1
  1      5.2935200              1.0000000        
G   1
  1      2.3331100              1.0000000        
G   1
  1      1.2728900              1.0000000        
G   1
  1      0.4888900              1.0000000        
G   1
  1      0.2169050              1.0000000        
G   1
  1      0.0962340              1.0000000        
H   1
  1     21.1253000              1.0000000        
H   1
  1      9.4268300              1.0000000        
H   1
  1      3.7507600              1.0000000        
H   1
  1      2.2012500              1.0000000        
H   1
  1      0.9779990              1.0000000        
H   1
  1      0.4345170              1.0000000        
I   1
  1      9.2933200              1.0000000        
I   1
  1      5.2582400              1.0000000        
I   1
  1      2.5338400              1.0000000        
I   1
  1      1.5863700              1.0000000        
I   1
  1      0.9931770              1.0000000        
K   1
  1      7.3629900              1.0000000        
K   1
  1      3.8694200              1.0000000        
K   1
  1      2.0334700              1.0000000


name: aug-cc-pVQZ-NR MP2 Fitting
description: MP2 auxiliary basis for use with aug-cc-pVQZ-NR AO basis set
elt: Ni
data:
NICKEL
S   1
  1    475.5460000              1.0000000        
S   1
  1    213.8270000              1.0000000        
S   1
  1     98.2317000              1.0000000        
S   1
  1     44.4874000              1.0000000        
S   1
  1     18.7965000              1.0000000        
S   1
  1      9.3142400              1.0000000        
S   1
  1      5.3793100              1.0000000        
S   1
  1      2.9827600              1.0000000        
S   1
  1      1.2309400              1.0000000        
S   1
  1      0.7364370              1.0000000        
S   1
  1      0.3155310              1.0000000        
S   1
  1      0.1181720              1.0000000        
S   1
  1      0.0751130              1.0000000        
S   1
  1      0.0477440              1.0000000        
P   1
  1    173.5680000              1.0000000        
P   1
  1     81.1279000              1.0000000        
P   1
  1     32.7358000              1.0000000        
P   1
  1     16.0368000              1.0000000        
P   1
  1      9.7122200              1.0000000        
P   1
  1      6.2973700              1.0000000        
P   1
  1      2.0086000              1.0000000        
P   1
  1      1.1467600              1.0000000        
P   1
  1      0.7151250              1.0000000        
P   1
  1      0.3308180              1.0000000        
P   1
  1      0.1374560              1.0000000        
P   1
  1      0.0800270              1.0000000        
P   1
  1      0.0465920              1.0000000        
D   1
  1    141.4450000              1.0000000        
D   1
  1     27.4129000              1.0000000        
D   1
  1     11.3669000              1.0000000        
D   1
  1      5.3132200              1.0000000        
D   1
  1      3.3799800              1.0000000        
D   1
  1      1.5830700              1.0000000        
D   1
  1      0.8226000              1.0000000        
D   1
  1      0.4272240              1.0000000        
D   1
  1      0.2360220              1.0000000        
D   1
  1      0.1196960              1.0000000        
D   1
  1      0.0607030              1.0000000        
F   1
  1     55.1077000              1.0000000        
F   1
  1     14.5972000              1.0000000        
F   1
  1      9.1043100              1.0000000        
F   1
  1      3.7336900              1.0000000        
F   1
  1      2.7354200              1.0000000        
F   1
  1      1.1168400              1.0000000        
F   1
  1      0.7147430              1.0000000        
F   1
  1      0.3046700              1.0000000        
F   1
  1      0.1783140              1.0000000        
F   1
  1      0.1043620              1.0000000        
G   1
  1     37.8586000              1.0000000        
G   1
  1     14.6650000              1.0000000        
G   1
  1      6.6805800              1.0000000        
G   1
  1      2.9871600              1.0000000        
G   1
  1      1.5789300              1.0000000        
G   1
  1      0.6125280              1.0000000        
G   1
  1      0.3053170              1.0000000        
G   1
  1      0.1521870              1.0000000        
H   1
  1     22.1752000              1.0000000        
H   1
  1     10.3831000              1.0000000        
H   1
  1      4.3660800              1.0000000        
H   1
  1      2.5470700              1.0000000        
H   1
  1      1.1822700              1.0000000        
H   1
  1      0.5487700              1.0000000        
I   1
  1     11.4471000              1.0000000        
I   1
  1      6.6142500              1.0000000        
I   1
  1      2.8601600              1.0000000        
I   1
  1      1.5866500              1.0000000        
I   1
  1      0.8801740              1.0000000        
K   1
  1      8.9814200              1.0000000        
K   1
  1      4.6964300              1.0000000        
K   1
  1      2.4557900              1.0000000


name: aug-cc-pVQZ-NR MP2 Fitting
description: MP2 auxiliary basis for use with aug-cc-pVQZ-NR AO basis set
elt: Cu
data:
COPPER
S   1
  1    492.5130000              1.0000000        
S   1
  1    221.4740000              1.0000000        
S   1
  1    105.6640000              1.0000000        
S   1
  1     49.5662000              1.0000000        
S   1
  1     21.6985000              1.0000000        
S   1
  1     10.1104000              1.0000000        
S   1
  1      5.5612800              1.0000000        
S   1
  1      3.0935700              1.0000000        
S   1
  1      1.2955800              1.0000000        
S   1
  1      0.7874210              1.0000000        
S   1
  1      0.3451280              1.0000000        
S   1
  1      0.1238220              1.0000000        
S   1
  1      0.0837850              1.0000000        
S   1
  1      0.0566840              1.0000000        
P   1
  1    187.4000000              1.0000000        
P   1
  1     86.2278000              1.0000000        
P   1
  1     34.9641000              1.0000000        
P   1
  1     18.1470000              1.0000000        
P   1
  1     10.0993000              1.0000000        
P   1
  1      6.6307600              1.0000000        
P   1
  1      2.2792600              1.0000000        
P   1
  1      1.2356700              1.0000000        
P   1
  1      0.7469870              1.0000000        
P   1
  1      0.3606480              1.0000000        
P   1
  1      0.1597550              1.0000000        
P   1
  1      0.0804660              1.0000000        
P   1
  1      0.0467680              1.0000000        
D   1
  1    153.5820000              1.0000000        
D   1
  1     29.5736000              1.0000000        
D   1
  1     12.9349000              1.0000000        
D   1
  1      6.0467600              1.0000000        
D   1
  1      3.6589100              1.0000000        
D   1
  1      1.7433800              1.0000000        
D   1
  1      0.9554960              1.0000000        
D   1
  1      0.4988270              1.0000000        
D   1
  1      0.2429250              1.0000000        
D   1
  1      0.1292370              1.0000000        
D   1
  1      0.0923660              1.0000000        
F   1
  1     59.5452000              1.0000000        
F   1
  1     16.7922000              1.0000000        
F   1
  1      9.8521900              1.0000000        
F   1
  1      4.0771900              1.0000000        
F   1
  1      2.8264200              1.0000000        
F   1
  1      1.1740400              1.0000000        
F   1
  1      0.7635340              1.0000000        
F   1
  1      0.3364560              1.0000000        
F   1
  1      0.2034120              1.0000000        
F   1
  1      0.1777710              1.0000000        
G   1
  1     40.6048000              1.0000000        
G   1
  1     15.8469000              1.0000000        
G   1
  1      7.4429200              1.0000000        
G   1
  1      3.3056000              1.0000000        
G   1
  1      1.8084200              1.0000000        
G   1
  1      1.0697900              1.0000000        
G   1
  1      0.6968530              1.0000000        
G   1
  1      0.3264040              1.0000000        
H   1
  1     22.4749000              1.0000000        
H   1
  1     11.2400000              1.0000000        
H   1
  1      4.7757400              1.0000000        
H   1
  1      2.6675100              1.0000000        
H   1
  1      1.2854100              1.0000000        
H   1
  1      0.5796060              1.0000000        
I   1
  1     12.5964000              1.0000000        
I   1
  1      7.2323900              1.0000000        
I   1
  1      3.4299700              1.0000000        
I   1
  1      2.0413800              1.0000000        
I   1
  1      1.1451900              1.0000000        
K   1
  1     10.0605000              1.0000000        
K   1
  1      5.2891500              1.0000000        
K   1
  1      2.6042900              1.0000000


name: aug-cc-pVQZ-NR MP2 Fitting
description: MP2 auxiliary basis for use with aug-cc-pVQZ-NR AO basis set
elt: Zn
data:
ZINC
S   1
  1    518.4800000              1.0000000        
S   1
  1    246.4610000              1.0000000        
S   1
  1    116.6600000              1.0000000        
S   1
  1     54.5598000              1.0000000        
S   1
  1     24.7342000              1.0000000        
S   1
  1     12.1299000              1.0000000        
S   1
  1      5.8088100              1.0000000        
S   1
  1      3.2178600              1.0000000        
S   1
  1      1.4068700              1.0000000        
S   1
  1      0.9008710              1.0000000        
S   1
  1      0.3922820              1.0000000        
S   1
  1      0.1318930              1.0000000        
S   1
  1      0.0942520              1.0000000        
S   1
  1      0.0673530              1.0000000        
P   1
  1    205.3700000              1.0000000        
P   1
  1     92.8968000              1.0000000        
P   1
  1     36.2818000              1.0000000        
P   1
  1     19.9279000              1.0000000        
P   1
  1     11.9966000              1.0000000        
P   1
  1      7.4694000              1.0000000        
P   1
  1      2.5370300              1.0000000        
P   1
  1      1.4506300              1.0000000        
P   1
  1      0.9225910              1.0000000        
P   1
  1      0.3968230              1.0000000        
P   1
  1      0.1775290              1.0000000        
P   1
  1      0.0892860              1.0000000        
P   1
  1      0.0449060              1.0000000        
D   1
  1    163.9130000              1.0000000        
D   1
  1     32.6176000              1.0000000        
D   1
  1     13.8933000              1.0000000        
D   1
  1      6.4956200              1.0000000        
D   1
  1      3.8555800              1.0000000        
D   1
  1      1.9770400              1.0000000        
D   1
  1      0.9867360              1.0000000        
D   1
  1      0.5116610              1.0000000        
D   1
  1      0.2458970              1.0000000        
D   1
  1      0.1324020              1.0000000        
D   1
  1      0.0712910              1.0000000        
F   1
  1     67.0993000              1.0000000        
F   1
  1     17.9769000              1.0000000        
F   1
  1     10.9788000              1.0000000        
F   1
  1      4.2432300              1.0000000        
F   1
  1      2.9885000              1.0000000        
F   1
  1      1.3092500              1.0000000        
F   1
  1      0.8353810              1.0000000        
F   1
  1      0.3551460              1.0000000        
F   1
  1      0.2205440              1.0000000        
F   1
  1      0.1369570              1.0000000        
G   1
  1     43.3517000              1.0000000        
G   1
  1     17.0020000              1.0000000        
G   1
  1      8.1585000              1.0000000        
G   1
  1      3.8289300              1.0000000        
G   1
  1      2.1647500              1.0000000        
G   1
  1      0.9123600              1.0000000        
G   1
  1      0.4617570              1.0000000        
G   1
  1      0.2337010              1.0000000        
H   1
  1     24.3230000              1.0000000        
H   1
  1     12.4725000              1.0000000        
H   1
  1      5.6219100              1.0000000        
H   1
  1      3.2740900              1.0000000        
H   1
  1      1.5528300              1.0000000        
H   1
  1      0.7364700              1.0000000        
I   1
  1     15.8182000              1.0000000        
I   1
  1      9.0621700              1.0000000        
I   1
  1      3.8944500              1.0000000        
I   1
  1      2.2147800              1.0000000        
I   1
  1      1.2595500              1.0000000        
K   1
  1     11.0222000              1.0000000        
K   1
  1      6.0700300              1.0000000        
K   1
  1      3.3428200              1.0000000


name: aug-cc-pVQZ-PP Diffuse
description: N/A
elt: Y
data:
YTTRIUM
S   1
  1      0.0096000              1.0000000        
P   1
  1      0.0095000              1.0000000        
D   1
  1      0.0091000              1.0000000        
F   1
  1      0.0277000              1.0000000        
G   1
  1      0.0537000              1.0000000        
H   1
  1      0.0987000              1.0000000


name: aug-cc-pVQZ-PP Diffuse
description: N/A
elt: Zr
data:
ZIRCONIUM
S   1
  1      0.0103000              1.0000000        
P   1
  1      0.0093000              1.0000000        
D   1
  1      0.0117000              1.0000000        
F   1
  1      0.0454000              1.0000000        
G   1
  1      0.0851000              1.0000000        
H   1
  1      0.1681000              1.0000000


name: aug-cc-pVQZ-PP Diffuse
description: N/A
elt: Nb
data:
NIOBIUM
S   1
  1      0.0109000              1.0000000        
P   1
  1      0.0100000              1.0000000        
D   1
  1      0.0151000              1.0000000        
F   1
  1      0.0634000              1.0000000        
G   1
  1      0.1221000              1.0000000        
H   1
  1      0.2487000              1.0000000


name: aug-cc-pVQZ-PP Diffuse
description: N/A
elt: Mo
data:
MOLYBDENUM
S   1
  1      0.0115000              1.0000000        
P   1
  1      0.0106000              1.0000000        
D   1
  1      0.0164000              1.0000000        
F   1
  1      0.0792000              1.0000000        
G   1
  1      0.1525000              1.0000000        
H   1
  1      0.3289000              1.0000000


name: aug-cc-pVQZ-PP Diffuse
description: N/A
elt: Tc
data:
TECHNETIUM
S   1
  1      0.0120000              1.0000000        
P   1
  1      0.0111000              1.0000000        
D   1
  1      0.0185000              1.0000000        
F   1
  1      0.0956000              1.0000000        
G   1
  1      0.1907000              1.0000000        
H   1
  1      0.4063000              1.0000000


name: aug-cc-pVQZ-PP Diffuse
description: N/A
elt: Ru
data:
RUTHENIUM
S   1
  1      0.0126000              1.0000000        
P   1
  1      0.0111000              1.0000000        
D   1
  1      0.0205000              1.0000000        
F   1
  1      0.1138000              1.0000000        
G   1
  1      0.2370000              1.0000000        
H   1
  1      0.4964000              1.0000000


name: aug-cc-pVQZ-PP Diffuse
description: N/A
elt: Rh
data:
RHODIUM
S   1
  1      0.0132000              1.0000000        
P   1
  1      0.0123000              1.0000000        
D   1
  1      0.0229000              1.0000000        
F   1
  1      0.1335000              1.0000000        
G   1
  1      0.2836000              1.0000000        
H   1
  1      0.5929000              1.0000000


name: aug-cc-pVQZ-PP Diffuse
description: N/A
elt: Pd
data:
PALLADIUM
S   1
  1      0.0137000              1.0000000        
P   1
  1      0.0117000              1.0000000        
D   1
  1      0.0254000              1.0000000        
F   1
  1      0.1540000              1.0000000        
G   1
  1      0.3364000              1.0000000        
H   1
  1      0.6971000              1.0000000


name: aug-cc-pVQZ-PP-RI Diffuse
elt: Cu
data:
COPPER
S   1
  1      0.30702700000E-01            1.0000000        
P   1
  1      0.40005500000E-01            1.0000000        
D   1
  1      0.70093300000E-01            1.0000000        
F   1
  1      0.12420800000          1.0000000        
G   1
  1      0.19048000000          1.0000000        
H   1
  1      0.58142000000          1.0000000        
I   1
  1      1.2456000000           1.0000000        
K   1
  1      2.4332500000           1.0000000


name: aug-cc-pVQZ-PP-RI Diffuse
elt: Zn
data:
ZINC
S   1
  1      0.36340900000E-01            1.0000000        
P   1
  1      0.46946100000E-01            1.0000000        
D   1
  1      0.87608000000E-01            1.0000000        
F   1
  1      0.14886000000          1.0000000        
G   1
  1      0.20299700000          1.0000000        
H   1
  1      0.75396900000          1.0000000        
I   1
  1      1.5323600000           1.0000000        
K   1
  1      2.9459900000           1.0000000


name: aug-cc-pVQZ-PP-RI Diffuse
elt: Ag
data:
SILVER
S   1
  1      0.15767000000E-01            1.0000000        
P   1
  1      0.19923100000E-01            1.0000000        
D   1
  1      0.36648200000E-01            1.0000000        
F   1
  1      0.62398400000E-01            1.0000000        
G   1
  1      0.99162600000E-01            1.0000000        
H   1
  1      0.40085900000          1.0000000        
I   1
  1      0.71419500000          1.0000000        
K   1
  1      1.2746300000           1.0000000


name: aug-cc-pVQZ-PP-RI Diffuse
elt: Cd
data:
CADMIUM
S   1
  1      0.18612800000E-01            1.0000000        
P   1
  1      0.23647800000E-01            1.0000000        
D   1
  1      0.43784800000E-01            1.0000000        
F   1
  1      0.75382700000E-01            1.0000000        
G   1
  1      0.12279200000          1.0000000        
H   1
  1      0.50263600000          1.0000000        
I   1
  1      0.87751000000          1.0000000        
K   1
  1      1.5083900000           1.0000000


name: aug-cc-pVQZ-PP-RI Diffuse
elt: Au
data:
GOLD
S   1
  1      0.15820800000E-01            1.0000000        
P   1
  1      0.19893700000E-01            1.0000000        
D   1
  1      0.36767200000E-01            1.0000000        
F   1
  1      0.68079500000E-01            1.0000000        
G   1
  1      0.11497500000          1.0000000        
H   1
  1      0.33547700000          1.0000000        
I   1
  1      0.58223200000          1.0000000        
K   1
  1      0.94443300000          1.0000000


name: aug-cc-pVQZ-PP-RI Diffuse
elt: Hg
data:
MERCURY
S   1
  1      0.19260000000E-01            1.0000000        
P   1
  1      0.23454600000E-01            1.0000000        
D   1
  1      0.43347600000E-01            1.0000000        
F   1
  1      0.10552600000          1.0000000        
G   1
  1      0.16582200000          1.0000000        
H   1
  1      0.42038900000          1.0000000        
I   1
  1      0.66630100000          1.0000000        
K   1
  1      1.0675500000           1.0000000


name: aug-cc-pVQZ-PP-new
description: N/A
elt: I
data:
IODINE
S   10
  1      1.690000E+04           4.000000E-05     
  2      2.541390E+03           2.940000E-04     
  3      5.744130E+02           1.214000E-03     
  4      1.509450E+02           2.596000E-03     
  5      2.916310E+01          -5.362300E-02     
  6      1.821960E+01           3.439170E-01     
  7      1.133650E+01          -3.674270E-01     
  8      6.924080E+00          -5.389040E-01     
  9      2.509810E+00           7.095670E-01     
 10      1.351130E+00           6.280610E-01     
S   10
  1      1.690000E+04           1.900000E-05     
  2      2.541390E+03           1.420000E-04     
  3      5.744130E+02           5.920000E-04     
  4      1.509450E+02           1.243000E-03     
  5      2.916310E+01          -2.272100E-02     
  6      1.821960E+01           1.577080E-01     
  7      1.133650E+01          -2.000920E-01     
  8      6.924080E+00          -2.161520E-01     
  9      2.509810E+00           4.134390E-01     
 10      1.351130E+00           5.345850E-01     
S   1
  1      6.163790E-01           1.0000000        
S   1
  1      3.834550E-01           1.0000000        
S   1
  1      1.800560E-01           1.0000000        
S   1
  1      8.232700E-02           1.0000000        
S   1
  1      3.310000E-02           1.0000000        
P   7
  1      6.491590E+02           9.500000E-05     
  2      1.480870E+02           6.290000E-04     
  3      2.010180E+01           4.532400E-02     
  4      1.044660E+01          -2.302310E-01     
  5      6.358830E+00          -4.960000E-03     
  6      3.048460E+00           5.139270E-01     
  7      1.559500E+00           5.060930E-01     
P   7
  1      6.491590E+02          -3.200000E-05     
  2      1.480870E+02          -2.530000E-04     
  3      2.010180E+01          -1.609800E-02     
  4      1.044660E+01           8.991000E-02     
  5      6.358830E+00          -1.565500E-02     
  6      3.048460E+00          -2.077830E-01     
  7      1.559500E+00          -2.480810E-01     
P   1
  1      7.689110E-01           1.0000000        
P   1
  1      3.548140E-01           1.0000000        
P   1
  1      1.547660E-01           1.0000000        
P   1
  1      6.469900E-02           1.0000000        
P   1
  1      2.570000E-02           1.0000000        
D   9
  1      5.854450E+02           2.500000E-05     
  2      1.774680E+02           2.310000E-04     
  3      6.921930E+01           1.173000E-03     
  4      2.863920E+01           5.584000E-03     
  5      1.271530E+01          -2.383000E-02     
  6      5.479270E+00           1.168140E-01     
  7      3.354930E+00           2.727310E-01     
  8      1.984230E+00           3.401740E-01     
  9      1.152540E+00           2.686990E-01     
D   1
  1      6.510170E-01           1.0000000        
D   1
  1      3.474450E-01           1.0000000        
D   1
  1      1.547000E-01           1.0000000        
D   1
  1      6.400000E-02           1.0000000        
F   1
  1      5.865000E-01           1.0000000        
F   1
  1      2.494000E-01           1.0000000        
F   1
  1      1.270000E-01           1.0000000        
G   1
  1      4.730000E-01           1.0000000        
G   1
  1      2.338000E-01           1.0000000


name: aug-cc-pVQZ-PP MP2 Fitting
description: MP2 auxiliary basis for use with aug-cc-pVQZ-PP AO basis set
elt: Y
data:
YTTRIUM
S   1
  1     13.8860913              1.0000000        
S   1
  1      8.8708082              1.0000000        
S   1
  1      4.7868560              1.0000000        
S   1
  1      2.7080087              1.0000000        
S   1
  1      1.7230975              1.0000000        
S   1
  1      0.6175293              1.0000000        
S   1
  1      0.4547307              1.0000000        
S   1
  1      0.2920906              1.0000000        
S   1
  1      0.1336359              1.0000000        
S   1
  1      0.0439599              1.0000000        
S   1
  1      0.0295921              1.0000000        
S   1
  1      0.0188863              1.0000000        
P   1
  1     14.2849623              1.0000000        
P   1
  1      7.1131803              1.0000000        
P   1
  1      4.1165541              1.0000000        
P   1
  1      2.0715961              1.0000000        
P   1
  1      1.2534289              1.0000000        
P   1
  1      0.7505372              1.0000000        
P   1
  1      0.4370145              1.0000000        
P   1
  1      0.2717471              1.0000000        
P   1
  1      0.1185876              1.0000000        
P   1
  1      0.0558515              1.0000000        
P   1
  1      0.0261885              1.0000000        
P   1
  1      0.0136000              1.0000000        
D   1
  1     14.8568224              1.0000000        
D   1
  1      7.7549153              1.0000000        
D   1
  1      4.6098261              1.0000000        
D   1
  1      2.0845913              1.0000000        
D   1
  1      1.2048306              1.0000000        
D   1
  1      0.7485512              1.0000000        
D   1
  1      0.4300085              1.0000000        
D   1
  1      0.2084073              1.0000000        
D   1
  1      0.1025850              1.0000000        
D   1
  1      0.0559943              1.0000000        
D   1
  1      0.0101614              1.0000000        
F   1
  1      8.9435402              1.0000000        
F   1
  1      4.9728845              1.0000000        
F   1
  1      2.5647289              1.0000000        
F   1
  1      1.4292377              1.0000000        
F   1
  1      0.8059563              1.0000000        
F   1
  1      0.4483280              1.0000000        
F   1
  1      0.2578764              1.0000000        
F   1
  1      0.1418644              1.0000000        
F   1
  1      0.0555857              1.0000000        
G   1
  1     15.9784349              1.0000000        
G   1
  1      4.7196975              1.0000000        
G   1
  1      1.6382737              1.0000000        
G   1
  1      0.9724061              1.0000000        
G   1
  1      0.5567233              1.0000000        
G   1
  1      0.2674616              1.0000000        
G   1
  1      0.1820120              1.0000000        
G   1
  1      0.0821453              1.0000000        
H   1
  1      5.5917526              1.0000000        
H   1
  1      1.4344249              1.0000000        
H   1
  1      0.8902350              1.0000000        
H   1
  1      0.4408187              1.0000000        
H   1
  1      0.1958045              1.0000000        
H   1
  1      0.0888416              1.0000000        
I   1
  1      1.1786463              1.0000000        
I   1
  1      0.6184778              1.0000000        
I   1
  1      0.3183335              1.0000000        
I   1
  1      0.1270486              1.0000000        
K   1
  1      7.4550450              1.0000000        
K   1
  1      0.5848477              1.0000000        
K   1
  1      0.2047822              1.0000000


name: aug-cc-pVQZ-PP MP2 Fitting
description: MP2 auxiliary basis for use with aug-cc-pVQZ-PP AO basis set
elt: Zr
data:
ZIRCONIUM
S   1
  1     13.9633584              1.0000000        
S   1
  1      8.9621741              1.0000000        
S   1
  1      4.9504449              1.0000000        
S   1
  1      2.9370007              1.0000000        
S   1
  1      1.7300368              1.0000000        
S   1
  1      0.7369330              1.0000000        
S   1
  1      0.5518829              1.0000000        
S   1
  1      0.2125027              1.0000000        
S   1
  1      0.1300732              1.0000000        
S   1
  1      0.0466947              1.0000000        
S   1
  1      0.0192735              1.0000000        
S   1
  1      0.0110771              1.0000000        
P   1
  1     14.6735941              1.0000000        
P   1
  1      7.5245091              1.0000000        
P   1
  1      4.4279239              1.0000000        
P   1
  1      2.1362053              1.0000000        
P   1
  1      1.0196079              1.0000000        
P   1
  1      0.7572742              1.0000000        
P   1
  1      0.3534686              1.0000000        
P   1
  1      0.2007894              1.0000000        
P   1
  1      0.0817355              1.0000000        
P   1
  1      0.0333967              1.0000000        
P   1
  1      0.0156493              1.0000000        
P   1
  1      0.0083702              1.0000000        
D   1
  1     14.7674171              1.0000000        
D   1
  1      7.6782121              1.0000000        
D   1
  1      4.5547149              1.0000000        
D   1
  1      2.1834658              1.0000000        
D   1
  1      1.3579196              1.0000000        
D   1
  1      0.8135633              1.0000000        
D   1
  1      0.4831182              1.0000000        
D   1
  1      0.2659630              1.0000000        
D   1
  1      0.1367220              1.0000000        
D   1
  1      0.0383248              1.0000000        
D   1
  1      0.0210008              1.0000000        
F   1
  1      8.9882287              1.0000000        
F   1
  1      4.9992712              1.0000000        
F   1
  1      2.1338386              1.0000000        
F   1
  1      1.2310988              1.0000000        
F   1
  1      0.7032317              1.0000000        
F   1
  1      0.4375791              1.0000000        
F   1
  1      0.2290535              1.0000000        
F   1
  1      0.1155179              1.0000000        
F   1
  1      0.0352057              1.0000000        
G   1
  1      7.7706834              1.0000000        
G   1
  1      3.0113244              1.0000000        
G   1
  1      2.2583293              1.0000000        
G   1
  1      1.0484209              1.0000000        
G   1
  1      0.6258682              1.0000000        
G   1
  1      0.3160692              1.0000000        
G   1
  1      0.1606973              1.0000000        
G   1
  1      0.0455369              1.0000000        
H   1
  1      6.6739910              1.0000000        
H   1
  1      2.0866265              1.0000000        
H   1
  1      1.2682735              1.0000000        
H   1
  1      0.6544966              1.0000000        
H   1
  1      0.2823925              1.0000000        
H   1
  1      0.0899944              1.0000000        
I   1
  1      1.5721324              1.0000000        
I   1
  1      0.9441409              1.0000000        
I   1
  1      0.4314848              1.0000000        
I   1
  1      0.1583153              1.0000000        
K   1
  1      1.5079372              1.0000000        
K   1
  1      0.7513930              1.0000000        
K   1
  1      0.2691702              1.0000000


name: aug-cc-pVQZ-PP MP2 Fitting
description: MP2 auxiliary basis for use with aug-cc-pVQZ-PP AO basis set
elt: Nb
data:
NIOBIUM
S   1
  1     13.9070044              1.0000000        
S   1
  1      8.9108885              1.0000000        
S   1
  1      4.9384098              1.0000000        
S   1
  1      2.9733683              1.0000000        
S   1
  1      1.8005871              1.0000000        
S   1
  1      1.0716338              1.0000000        
S   1
  1      0.5990864              1.0000000        
S   1
  1      0.3403007              1.0000000        
S   1
  1      0.1504510              1.0000000        
S   1
  1      0.0776421              1.0000000        
S   1
  1      0.0422274              1.0000000        
S   1
  1      0.0276239              1.0000000        
P   1
  1     14.8440510              1.0000000        
P   1
  1      7.7531707              1.0000000        
P   1
  1      4.6678909              1.0000000        
P   1
  1      3.0826943              1.0000000        
P   1
  1      1.9134491              1.0000000        
P   1
  1      1.1637011              1.0000000        
P   1
  1      0.6336494              1.0000000        
P   1
  1      0.4015616              1.0000000        
P   1
  1      0.1836120              1.0000000        
P   1
  1      0.0904558              1.0000000        
P   1
  1      0.0496090              1.0000000        
P   1
  1      0.0269978              1.0000000        
D   1
  1     14.7938631              1.0000000        
D   1
  1      7.7302592              1.0000000        
D   1
  1      4.6249183              1.0000000        
D   1
  1      2.1799392              1.0000000        
D   1
  1      1.3257806              1.0000000        
D   1
  1      0.8049437              1.0000000        
D   1
  1      0.3878673              1.0000000        
D   1
  1      0.2202854              1.0000000        
D   1
  1      0.0974099              1.0000000        
D   1
  1      0.0506893              1.0000000        
D   1
  1      0.0324477              1.0000000        
F   1
  1      8.9439243              1.0000000        
F   1
  1      4.9123280              1.0000000        
F   1
  1      2.3669269              1.0000000        
F   1
  1      1.2906315              1.0000000        
F   1
  1      0.6469814              1.0000000        
F   1
  1      0.3508057              1.0000000        
F   1
  1      0.1949032              1.0000000        
F   1
  1      0.1101851              1.0000000        
F   1
  1      0.0594034              1.0000000        
G   1
  1      3.9694441              1.0000000        
G   1
  1      2.9082458              1.0000000        
G   1
  1      1.3878435              1.0000000        
G   1
  1      0.8262586              1.0000000        
G   1
  1      0.4024330              1.0000000        
G   1
  1      0.1984736              1.0000000        
G   1
  1      0.0966536              1.0000000        
G   1
  1      0.0608425              1.0000000        
H   1
  1      3.5725381              1.0000000        
H   1
  1      2.1802119              1.0000000        
H   1
  1      1.2794751              1.0000000        
H   1
  1      0.7670776              1.0000000        
H   1
  1      0.3297542              1.0000000        
H   1
  1      0.1547631              1.0000000        
I   1
  1      1.8895514              1.0000000        
I   1
  1      1.0983593              1.0000000        
I   1
  1      0.5296491              1.0000000        
I   1
  1      0.2514646              1.0000000        
K   1
  1      1.6923779              1.0000000        
K   1
  1      0.9380603              1.0000000        
K   1
  1      0.4434084              1.0000000


name: aug-cc-pVQZ-PP MP2 Fitting
description: MP2 auxiliary basis for use with aug-cc-pVQZ-PP AO basis set
elt: Mo
data:
MOLYBDENUM
S   1
  1     13.7876786              1.0000000        
S   1
  1      8.7804163              1.0000000        
S   1
  1      4.8274004              1.0000000        
S   1
  1      2.9253965              1.0000000        
S   1
  1      1.9983249              1.0000000        
S   1
  1      1.0818913              1.0000000        
S   1
  1      0.6055081              1.0000000        
S   1
  1      0.2745585              1.0000000        
S   1
  1      0.1258674              1.0000000        
S   1
  1      0.0606041              1.0000000        
S   1
  1      0.0260156              1.0000000        
S   1
  1      0.0130180              1.0000000        
P   1
  1     14.7698205              1.0000000        
P   1
  1      7.8275951              1.0000000        
P   1
  1      4.8980400              1.0000000        
P   1
  1      2.5540090              1.0000000        
P   1
  1      1.3871151              1.0000000        
P   1
  1      0.8836651              1.0000000        
P   1
  1      0.3959396              1.0000000        
P   1
  1      0.2354747              1.0000000        
P   1
  1      0.1079946              1.0000000        
P   1
  1      0.0520444              1.0000000        
P   1
  1      0.0253322              1.0000000        
P   1
  1      0.0110146              1.0000000        
D   1
  1     14.7027237              1.0000000        
D   1
  1      7.7325006              1.0000000        
D   1
  1      4.8661060              1.0000000        
D   1
  1      2.6697108              1.0000000        
D   1
  1      1.2521733              1.0000000        
D   1
  1      0.8758892              1.0000000        
D   1
  1      0.4186139              1.0000000        
D   1
  1      0.2315155              1.0000000        
D   1
  1      0.1244558              1.0000000        
D   1
  1      0.0721569              1.0000000        
D   1
  1      0.0211427              1.0000000        
F   1
  1      8.9840595              1.0000000        
F   1
  1      4.9961404              1.0000000        
F   1
  1      2.7674721              1.0000000        
F   1
  1      1.4274132              1.0000000        
F   1
  1      0.8139694              1.0000000        
F   1
  1      0.3938755              1.0000000        
F   1
  1      0.2294034              1.0000000        
F   1
  1      0.1214496              1.0000000        
F   1
  1      0.0821782              1.0000000        
G   1
  1     15.9060410              1.0000000        
G   1
  1      5.8965230              1.0000000        
G   1
  1      2.9721474              1.0000000        
G   1
  1      1.4530085              1.0000000        
G   1
  1      0.7379828              1.0000000        
G   1
  1      0.3870995              1.0000000        
G   1
  1      0.1821083              1.0000000        
G   1
  1      0.0946711              1.0000000        
H   1
  1      6.0962682              1.0000000        
H   1
  1      3.0636773              1.0000000        
H   1
  1      1.7359463              1.0000000        
H   1
  1      0.9646801              1.0000000        
H   1
  1      0.4158506              1.0000000        
H   1
  1      0.1297990              1.0000000        
I   1
  1      2.2206510              1.0000000        
I   1
  1      1.2706246              1.0000000        
I   1
  1      0.6371235              1.0000000        
I   1
  1      0.2989426              1.0000000        
K   1
  1      2.5780947              1.0000000        
K   1
  1      1.2334672              1.0000000        
K   1
  1      0.5646735              1.0000000


name: aug-cc-pVQZ-PP MP2 Fitting
description: MP2 auxiliary basis for use with aug-cc-pVQZ-PP AO basis set
elt: Tc
data:
TECHNETIUM
S   1
  1     13.7234174              1.0000000        
S   1
  1      8.7071964              1.0000000        
S   1
  1      4.7544226              1.0000000        
S   1
  1      2.8869338              1.0000000        
S   1
  1      1.9983642              1.0000000        
S   1
  1      1.0400777              1.0000000        
S   1
  1      0.5793802              1.0000000        
S   1
  1      0.3224488              1.0000000        
S   1
  1      0.1348007              1.0000000        
S   1
  1      0.0566392              1.0000000        
S   1
  1      0.0259960              1.0000000        
S   1
  1      0.0164039              1.0000000        
P   1
  1     13.6066139              1.0000000        
P   1
  1      7.2088373              1.0000000        
P   1
  1      4.8944596              1.0000000        
P   1
  1      3.2445742              1.0000000        
P   1
  1      1.7945778              1.0000000        
P   1
  1      0.8672818              1.0000000        
P   1
  1      0.4853739              1.0000000        
P   1
  1      0.2733243              1.0000000        
P   1
  1      0.1202048              1.0000000        
P   1
  1      0.0546432              1.0000000        
P   1
  1      0.0259775              1.0000000        
P   1
  1      0.0181104              1.0000000        
D   1
  1     13.7340802              1.0000000        
D   1
  1      6.8274957              1.0000000        
D   1
  1      4.3883287              1.0000000        
D   1
  1      3.2213499              1.0000000        
D   1
  1      1.6575756              1.0000000        
D   1
  1      0.9087227              1.0000000        
D   1
  1      0.5940950              1.0000000        
D   1
  1      0.3040648              1.0000000        
D   1
  1      0.1561959              1.0000000        
D   1
  1      0.0675802              1.0000000        
D   1
  1      0.0330309              1.0000000        
F   1
  1      8.9485349              1.0000000        
F   1
  1      5.0505365              1.0000000        
F   1
  1      2.8572671              1.0000000        
F   1
  1      1.5883526              1.0000000        
F   1
  1      0.9047286              1.0000000        
F   1
  1      0.4395179              1.0000000        
F   1
  1      0.2497843              1.0000000        
F   1
  1      0.1371378              1.0000000        
F   1
  1      0.0334280              1.0000000        
G   1
  1      7.2924943              1.0000000        
G   1
  1      3.6107264              1.0000000        
G   1
  1      1.7633297              1.0000000        
G   1
  1      1.0531105              1.0000000        
G   1
  1      0.5534570              1.0000000        
G   1
  1      0.2409578              1.0000000        
G   1
  1      0.1307887              1.0000000        
G   1
  1      0.0354291              1.0000000        
H   1
  1      5.4661731              1.0000000        
H   1
  1      3.3343613              1.0000000        
H   1
  1      1.9154241              1.0000000        
H   1
  1      1.1254565              1.0000000        
H   1
  1      0.4885097              1.0000000        
H   1
  1      0.1616961              1.0000000        
I   1
  1      2.6140507              1.0000000        
I   1
  1      1.5606219              1.0000000        
I   1
  1      0.7678795              1.0000000        
I   1
  1      0.3144968              1.0000000        
K   1
  1      2.5782449              1.0000000        
K   1
  1      1.4088735              1.0000000        
K   1
  1      0.6372479              1.0000000


name: aug-cc-pVQZ-PP MP2 Fitting
description: MP2 auxiliary basis for use with aug-cc-pVQZ-PP AO basis set
elt: Rh
data:
RHODIUM
S   1
  1     13.8328914              1.0000000        
S   1
  1      8.8784372              1.0000000        
S   1
  1      4.9293454              1.0000000        
S   1
  1      2.9690133              1.0000000        
S   1
  1      1.9946701              1.0000000        
S   1
  1      0.9401615              1.0000000        
S   1
  1      0.5015179              1.0000000        
S   1
  1      0.2576651              1.0000000        
S   1
  1      0.1040055              1.0000000        
S   1
  1      0.0506773              1.0000000        
S   1
  1      0.0251487              1.0000000        
S   1
  1      0.0194600              1.0000000        
P   1
  1     10.8665608              1.0000000        
P   1
  1      5.1855358              1.0000000        
P   1
  1      3.7032673              1.0000000        
P   1
  1      2.8369581              1.0000000        
P   1
  1      1.7330952              1.0000000        
P   1
  1      0.8942688              1.0000000        
P   1
  1      0.4618180              1.0000000        
P   1
  1      0.2332087              1.0000000        
P   1
  1      0.1054113              1.0000000        
P   1
  1      0.0510724              1.0000000        
P   1
  1      0.0252289              1.0000000        
P   1
  1      0.0150031              1.0000000        
D   1
  1     13.7815180              1.0000000        
D   1
  1      6.3266202              1.0000000        
D   1
  1      3.5674469              1.0000000        
D   1
  1      2.2296655              1.0000000        
D   1
  1      1.4611438              1.0000000        
D   1
  1      0.7686612              1.0000000        
D   1
  1      0.3785696              1.0000000        
D   1
  1      0.2073757              1.0000000        
D   1
  1      0.1007188              1.0000000        
D   1
  1      0.0501513              1.0000000        
D   1
  1      0.0147587              1.0000000        
F   1
  1      8.3192585              1.0000000        
F   1
  1      4.7092659              1.0000000        
F   1
  1      2.8971909              1.0000000        
F   1
  1      1.6946255              1.0000000        
F   1
  1      0.9544472              1.0000000        
F   1
  1      0.4859972              1.0000000        
F   1
  1      0.2585438              1.0000000        
F   1
  1      0.1268428              1.0000000        
F   1
  1      0.0527420              1.0000000        
G   1
  1     13.0625033              1.0000000        
G   1
  1      4.3265791              1.0000000        
G   1
  1      2.3596901              1.0000000        
G   1
  1      1.3674442              1.0000000        
G   1
  1      0.7385598              1.0000000        
G   1
  1      0.3347290              1.0000000        
G   1
  1      0.1695710              1.0000000        
G   1
  1      0.0597165              1.0000000        
H   1
  1      5.1631931              1.0000000        
H   1
  1      3.3707123              1.0000000        
H   1
  1      1.9003297              1.0000000        
H   1
  1      1.1609962              1.0000000        
H   1
  1      0.6086930              1.0000000        
H   1
  1      0.2432014              1.0000000        
I   1
  1      3.4608878              1.0000000        
I   1
  1      2.1965973              1.0000000        
I   1
  1      1.0665205              1.0000000        
I   1
  1      0.4655288              1.0000000        
K   1
  1      3.6819634              1.0000000        
K   1
  1      1.9460227              1.0000000        
K   1
  1      0.9049291              1.0000000


name: aug-cc-pVQZ-PP MP2 Fitting
description: MP2 auxiliary basis for use with aug-cc-pVQZ-PP AO basis set
elt: Pd
data:
PALLADIUM
S   1
  1     13.9984288              1.0000000        
S   1
  1      9.0068042              1.0000000        
S   1
  1      4.9984884              1.0000000        
S   1
  1      2.9781496              1.0000000        
S   1
  1      1.9745677              1.0000000        
S   1
  1      0.9938020              1.0000000        
S   1
  1      0.5108991              1.0000000        
S   1
  1      0.2544549              1.0000000        
S   1
  1      0.1006252              1.0000000        
S   1
  1      0.0499644              1.0000000        
S   1
  1      0.0249880              1.0000000        
S   1
  1      0.0172093              1.0000000        
P   1
  1     12.6851732              1.0000000        
P   1
  1      6.1686234              1.0000000        
P   1
  1      3.9980739              1.0000000        
P   1
  1      2.7784405              1.0000000        
P   1
  1      1.4920399              1.0000000        
P   1
  1      0.7882309              1.0000000        
P   1
  1      0.4029939              1.0000000        
P   1
  1      0.2104955              1.0000000        
P   1
  1      0.1017137              1.0000000        
P   1
  1      0.0503839              1.0000000        
P   1
  1      0.0250947              1.0000000        
P   1
  1      0.0206158              1.0000000        
D   1
  1     14.2570713              1.0000000        
D   1
  1      6.9773551              1.0000000        
D   1
  1      4.0141126              1.0000000        
D   1
  1      2.2389921              1.0000000        
D   1
  1      1.3113378              1.0000000        
D   1
  1      0.7564823              1.0000000        
D   1
  1      0.3643127              1.0000000        
D   1
  1      0.2026401              1.0000000        
D   1
  1      0.1003526              1.0000000        
D   1
  1      0.0500919              1.0000000        
D   1
  1      0.0379097              1.0000000        
F   1
  1      8.5213536              1.0000000        
F   1
  1      4.7398220              1.0000000        
F   1
  1      2.9802461              1.0000000        
F   1
  1      1.7031091              1.0000000        
F   1
  1      0.8749403              1.0000000        
F   1
  1      0.4657819              1.0000000        
F   1
  1      0.2415801              1.0000000        
F   1
  1      0.1104524              1.0000000        
F   1
  1      0.0613216              1.0000000        
G   1
  1     14.1053415              1.0000000        
G   1
  1      4.7495105              1.0000000        
G   1
  1      2.6243052              1.0000000        
G   1
  1      1.4755865              1.0000000        
G   1
  1      0.7982883              1.0000000        
G   1
  1      0.3604478              1.0000000        
G   1
  1      0.1702924              1.0000000        
G   1
  1      0.1388421              1.0000000        
H   1
  1      5.3824435              1.0000000        
H   1
  1      3.6297464              1.0000000        
H   1
  1      1.8783415              1.0000000        
H   1
  1      0.9885945              1.0000000        
H   1
  1      0.5720912              1.0000000        
H   1
  1      0.3017705              1.0000000        
I   1
  1      3.8892699              1.0000000        
I   1
  1      2.5196059              1.0000000        
I   1
  1      1.2210462              1.0000000        
I   1
  1      0.5896075              1.0000000        
K   1
  1      4.2564871              1.0000000        
K   1
  1      2.2224895              1.0000000        
K   1
  1      1.0934754              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-PP
description: VQZPD Valence Quadruple Zeta + Polarization on All Atoms
elt: Cu
data:
COPPER
S   13
  1  15508.7000000              0.0000140        
  2   2328.9200000              0.0001050        
  3    523.7770000              0.0004380        
  4    100.3680000              0.0046370        
  5     61.7406000             -0.0254660        
  6     38.4248000              0.0774730        
  7     12.0349000             -0.3020460        
  8      7.5188400             -0.1685450        
  9      3.0273500              0.4480250        
 10      1.5382000              0.5945980        
 11      0.7436790              0.2251610        
 12      0.1966230              0.0093160        
 13      0.0848270             -0.0010320        
S   13
  1  15508.7000000             -0.0000030        
  2   2328.9200000             -0.0000240        
  3    523.7770000             -0.0001040        
  4    100.3680000             -0.0009690        
  5     61.7406000              0.0053730        
  6     38.4248000             -0.0170510        
  7     12.0349000              0.0735620        
  8      7.5188400              0.0348590        
  9      3.0273500             -0.1174500        
 10      1.5382000             -0.1997820        
 11      0.7436790             -0.1628140        
 12      0.1966230              0.2648850        
 13      0.0848270              0.5869380        
S   13
  1  15508.7000000             -0.0000060        
  2   2328.9200000             -0.0000600        
  3    523.7770000             -0.0001490        
  4    100.3680000             -0.0039860        
  5     61.7406000              0.0178140        
  6     38.4248000             -0.0440620        
  7     12.0349000              0.1967660        
  8      7.5188400              0.0029010        
  9      3.0273500             -0.2193950        
 10      1.5382000             -0.7208070        
 11      0.7436790              0.3835870        
 12      0.1966230              1.3093360        
 13      0.0848270             -0.2385300        
S   13
  1  15508.7000000             -0.0000140        
  2   2328.9200000             -0.0001300        
  3    523.7770000             -0.0003770        
  4    100.3680000             -0.0075170        
  5     61.7406000              0.0341870        
  6     38.4248000             -0.0923840        
  7     12.0349000              0.4943910        
  8      7.5188400             -0.0362500        
  9      3.0273500             -1.1478060        
 10      1.5382000             -0.9084610        
 11      0.7436790              2.4228960        
 12      0.1966230             -0.6174020        
 13      0.0848270             -1.3148600        
S   13
  1  15508.7000000             -0.0000240        
  2   2328.9200000             -0.0000950        
  3    523.7770000             -0.0009700        
  4    100.3680000              0.0053420        
  5     61.7406000             -0.0093410        
  6     38.4248000             -0.0536190        
  7     12.0349000              0.6275860        
  8      7.5188400              0.0008670        
  9      3.0273500             -3.4505650        
 10      1.5382000              3.9899740        
 11      0.7436790             -0.6545310        
 12      0.1966230             -2.8582570        
 13      0.0848270              4.0794890        
S   1
  1      0.0361620              1.0000000        
S   1
  1      0.0154000              1.0000000        
P   10
  1    345.4490000              0.0002510        
  2     56.9930000              0.0052130        
  3     20.3995000             -0.0530160        
  4     12.7510000             -0.0447570        
  5      5.0347400              0.2464200        
  6      2.5662000              0.4318110        
  7      1.2775200              0.3443720        
  8      0.6143370              0.1187810        
  9      0.2311970              0.0092340        
 10      0.0911140             -0.0002880        
P   10
  1    345.4490000             -0.0000540        
  2     56.9930000             -0.0010760        
  3     20.3995000              0.0115530        
  4     12.7510000              0.0086110        
  5      5.0347400             -0.0585540        
  6      2.5662000             -0.0986280        
  7      1.2775200             -0.1000970        
  8      0.6143370              0.0295210        
  9      0.2311970              0.3346900        
 10      0.0911140              0.5307450        
P   10
  1    345.4490000             -0.0001200        
  2     56.9930000             -0.0022140        
  3     20.3995000              0.0253640        
  4     12.7510000              0.0174120        
  5      5.0347400             -0.1413040        
  6      2.5662000             -0.2114720        
  7      1.2775200             -0.1640210        
  8      0.6143370              0.2460890        
  9      0.2311970              0.6390340        
 10      0.0911140              0.2883200        
P   10
  1    345.4490000             -0.0002850        
  2     56.9930000             -0.0048990        
  3     20.3995000              0.0672310        
  4     12.7510000              0.0257120        
  5      5.0347400             -0.4458290        
  6      2.5662000             -0.4587550        
  7      1.2775200              0.2173590        
  8      0.6143370              1.0616080        
  9      0.2311970             -0.2860870        
 10      0.0911140             -0.6112140        
P   10
  1    345.4490000             -0.0003700        
  2     56.9930000             -0.0089010        
  3     20.3995000              0.1565960        
  4     12.7510000             -0.0539670        
  5      5.0347400             -1.0899790        
  6      2.5662000              0.0518200        
  7      1.2775200              1.7570770        
  8      0.6143370             -0.9875940        
  9      0.2311970             -0.7893940        
 10      0.0911140              0.9725210        
P   1
  1      0.0356900              1.0000000        
P   1
  1      0.0140000              1.0000000        
D   10
  1    405.8810000              0.0002490        
  2    123.0710000              0.0026180        
  3     49.2179000              0.0170010        
  4     22.6142000              0.0554800        
  5     10.8078000              0.1345330        
  6      5.3256000              0.2313120        
  7      2.6210100              0.2915400        
  8      1.2629000              0.2863330        
  9      0.5881370              0.2204760        
 10      0.2602140              0.1185730        
D   10
  1    405.8810000             -0.0003040        
  2    123.0710000             -0.0032540        
  3     49.2179000             -0.0210730        
  4     22.6142000             -0.0701670        
  5     10.8078000             -0.1757260        
  6      5.3256000             -0.2895470        
  7      2.6210100             -0.2357140        
  8      1.2629000              0.0741710        
  9      0.5881370              0.3732830        
 10      0.2602140              0.3984690        
D   10
  1    405.8810000              0.0003630        
  2    123.0710000              0.0039380        
  3     49.2179000              0.0255270        
  4     22.6142000              0.0868280        
  5     10.8078000              0.2313590        
  6      5.3256000              0.3382510        
  7      2.6210100             -0.0486580        
  8      1.2629000             -0.5918370        
  9      0.5881370             -0.2888500        
 10      0.2602140              0.4871680        
D   10
  1    405.8810000             -0.0005760        
  2    123.0710000             -0.0056110        
  3     49.2179000             -0.0398950        
  4     22.6142000             -0.1306290        
  5     10.8078000             -0.4204660        
  6      5.3256000             -0.2755370        
  7      2.6210100              0.8754220        
  8      1.2629000              0.3094680        
  9      0.5881370             -0.9987810        
 10      0.2602140              0.0721810        
D   1
  1      0.1053380              1.0000000        
D   1
  1      0.0426000              1.0000000        
F   1
  1      7.8928000              1.0000000        
F   1
  1      2.4235000              1.0000000        
F   1
  1      0.7442000              1.0000000        
F   1
  1      0.2615000              1.0000000        
G   1
  1      6.0888000              1.0000000        
G   1
  1      1.7871000              1.0000000        
G   1
  1      0.7151000              1.0000000        
H   1
  1      3.7676000              1.0000000        
H   1
  1      1.5889000              1.0000000


name: aug-cc-pVQZ-PP
description: VQZPD Valence Quadruple Zeta + Polarization on All Atoms
elt: Zn
data:
ZINC
S   13
  1  17464.2000000              0.0000130        
  2   2622.6800000              0.0000920        
  3    589.6620000              0.0003820        
  4    113.7680000              0.0038900        
  5     68.8689000             -0.0229110        
  6     42.8903000              0.0713640        
  7     12.7798000             -0.3143430        
  8      7.9929100             -0.1552930        
  9      3.2917900              0.4513350        
 10      1.6680800              0.6018560        
 11      0.8030500              0.2188520        
 12      0.2094640              0.0066730        
 13      0.0897890             -0.0021100        
S   13
  1  17464.2000000             -0.0000030        
  2   2622.6800000             -0.0000210        
  3    589.6620000             -0.0000900        
  4    113.7680000             -0.0008520        
  5     68.8689000              0.0050100        
  6     42.8903000             -0.0160700        
  7     12.7798000              0.0784840        
  8      7.9929100              0.0304670        
  9      3.2917900             -0.1171530        
 10      1.6680800             -0.2131310        
 11      0.8030500             -0.1590390        
 12      0.2094640              0.3127660        
 13      0.0897890              0.5929400        
S   13
  1  17464.2000000              0.0000080        
  2   2622.6800000              0.0000870        
  3    589.6620000              0.0001720        
  4    113.7680000              0.0060140        
  5     68.8689000             -0.0272060        
  6     42.8903000              0.0661050        
  7     12.7798000             -0.3492550        
  8      7.9929100              0.0564170        
  9      3.2917900              0.4365590        
 10      1.6680800              1.0757110        
 11      0.8030500             -1.1079040        
 12      0.2094640             -1.2826000        
 13      0.0897890              1.0615260        
S   13
  1  17464.2000000              0.0000160        
  2   2622.6800000              0.0001060        
  3    589.6620000              0.0005050        
  4    113.7680000              0.0029170        
  5     68.8689000             -0.0187760        
  6     42.8903000              0.0750030        
  7     12.7798000             -0.5583330        
  8      7.9929100              0.0366900        
  9      3.2917900              1.8147690        
 10      1.6680800             -0.1713440        
 11      0.8030500             -2.2758900        
 12      0.2094640              2.3039210        
 13      0.0897890             -0.7279820        
S   13
  1  17464.2000000             -0.0000270        
  2   2622.6800000             -0.0001430        
  3    589.6620000             -0.0009780        
  4    113.7680000              0.0008450        
  5     68.8689000              0.0086220        
  6     42.8903000             -0.0979110        
  7     12.7798000              1.2825580        
  8      7.9929100             -0.9139650        
  9      3.2917900             -4.3085060        
 10      1.6680800              7.4803930        
 11      0.8030500             -4.4940910        
 12      0.2094640              0.5511480        
 13      0.0897890              1.2844830        
S   1
  1      0.0379800              1.0000000        
S   1
  1      0.0161000              1.0000000        
P   10
  1    398.9490000              0.0002080        
  2     63.7385000              0.0054020        
  3     29.5429000             -0.0210140        
  4     16.6626000             -0.0713900        
  5      5.2522400              0.2685640        
  6      2.6639700              0.4380750        
  7      1.3228300              0.3294410        
  8      0.6335320              0.1006310        
  9      0.2384830              0.0064050        
 10      0.0935750              0.0000370        
P   10
  1    398.9490000             -0.0000410        
  2     63.7385000             -0.0011260        
  3     29.5429000              0.0046380        
  4     16.6626000              0.0138780        
  5      5.2522400             -0.0618020        
  6      2.6639700             -0.0961050        
  7      1.3228300             -0.0939660        
  8      0.6335320              0.0385890        
  9      0.2384830              0.3379910        
 10      0.0935750              0.5263300        
P   10
  1    398.9490000              0.0000780        
  2     63.7385000              0.0021580        
  3     29.5429000             -0.0093740        
  4     16.6626000             -0.0255010        
  5      5.2522400              0.1284190        
  6      2.6639700              0.1798850        
  7      1.3228300              0.1488770        
  8      0.6335320             -0.1938270        
  9      0.2384830             -0.6513930        
 10      0.0935750             -0.3142910        
P   10
  1    398.9490000             -0.0001770        
  2     63.7385000             -0.0066510        
  3     29.5429000              0.0342130        
  4     16.6626000              0.0550710        
  5      5.2522400             -0.4829160        
  6      2.6639700             -0.4147730        
  7      1.3228300              0.2333400        
  8      0.6335320              1.0532400        
  9      0.2384830             -0.2793310        
 10      0.0935750             -0.5819880        
P   10
  1    398.9490000              0.0000190        
  2     63.7385000              0.0165720        
  3     29.5429000             -0.0994770        
  4     16.6626000             -0.0077500        
  5      5.2522400              1.1198990        
  6      2.6639700             -0.1615330        
  7      1.3228300             -1.6735270        
  8      0.6335320              0.9920100        
  9      0.2384830              0.7738290        
 10      0.0935750             -0.9846080        
P   1
  1      0.0365220              1.0000000        
P   1
  1      0.0143000              1.0000000        
D   10
  1    503.6810000              0.0002000        
  2    152.7880000              0.0020970        
  3     60.7411000              0.0140450        
  4     28.2215000              0.0481610        
  5     13.5558000              0.1194910        
  6      6.7366100              0.2158360        
  7      3.3630400              0.2856100        
  8      1.6508800              0.2921570        
  9      0.7868990              0.2327360        
 10      0.3583250              0.1283070        
D   10
  1    503.6810000              0.0002750        
  2    152.7880000              0.0029310        
  3     60.7411000              0.0196780        
  4     28.2215000              0.0684660        
  5     13.5558000              0.1773160        
  6      6.7366100              0.3130830        
  7      3.3630400              0.2740060        
  8      1.6508800             -0.0823040        
  9      0.7868990             -0.4072950        
 10      0.3583250             -0.3689800        
D   10
  1    503.6810000              0.0003080        
  2    152.7880000              0.0033290        
  3     60.7411000              0.0223800        
  4     28.2215000              0.0792960        
  5     13.5558000              0.2228230        
  6      6.7366100              0.3649620        
  7      3.3630400             -0.0771980        
  8      1.6508800             -0.6258610        
  9      0.7868990             -0.2423250        
 10      0.3583250              0.5207460        
D   10
  1    503.6810000             -0.0004440        
  2    152.7880000             -0.0040810        
  3     60.7411000             -0.0313100        
  4     28.2215000             -0.1021230        
  5     13.5558000             -0.3553010        
  6      6.7366100             -0.3428580        
  7      3.3630400              0.7548930        
  8      1.6508800              0.4861180        
  9      0.7868990             -1.0333540        
 10      0.3583250             -0.0694380        
D   1
  1      0.1501310              1.0000000        
D   1
  1      0.0629000              1.0000000        
F   1
  1      8.9039000              1.0000000        
F   1
  1      2.7656000              1.0000000        
F   1
  1      0.8590000              1.0000000        
F   1
  1      0.3068000              1.0000000        
G   1
  1      6.9963000              1.0000000        
G   1
  1      2.0818000              1.0000000        
G   1
  1      0.8508000              1.0000000        
H   1
  1      4.3846000              1.0000000        
H   1
  1      1.9086000              1.0000000


name: aug-cc-pVQZ-PP
description: VQZPD Valence Quadruple Zeta + Polarization on All Atoms
elt: Ga
data:
GALLIUM
S   10
  1  22928.0000000              0.0000290        
  2   3443.3700000              0.0002140        
  3    780.7140000              0.0009570        
  4    210.6310000              0.0025910        
  5     49.6280000             -0.0265900        
  6     31.0033000              0.2112800        
  7     19.3680000             -0.2964610        
  8     10.6012000             -0.2759270        
  9      3.3973400              0.4620430        
 10      1.7788200              0.5722390        
S   10
  1  22928.0000000             -0.0000080        
  2   3443.3700000             -0.0000600        
  3    780.7140000             -0.0002700        
  4    210.6310000             -0.0007150        
  5     49.6280000              0.0064990        
  6     31.0033000             -0.0556790        
  7     19.3680000              0.0826360        
  8     10.6012000              0.0738260        
  9      3.3973400             -0.1460110        
 10      1.7788200             -0.2490670        
S   1
  1      0.8931830              1.0000000        
S   1
  1      0.2766800              1.0000000        
S   1
  1      0.1219910              1.0000000        
S   1
  1      0.0517400              1.0000000        
S   1
  1      0.0184000              1.0000000        
P   8
  1    449.1840000              0.0001980        
  2     73.5402000              0.0045280        
  3     32.7231000             -0.0178910        
  4     17.9879000             -0.0757400        
  5      5.7194700              0.2700640        
  6      2.9023000              0.4455350        
  7      1.4382500              0.3306580        
  8      0.6851650              0.0901940        
P   8
  1    449.1840000             -0.0000340        
  2     73.5402000             -0.0008270        
  3     32.7231000              0.0034710        
  4     17.9879000              0.0129630        
  5      5.7194700             -0.0542150        
  6      2.9023000             -0.0831230        
  7      1.4382500             -0.0863750        
  8      0.6851650              0.0282190        
P   1
  1      0.2434650              1.0000000        
P   1
  1      0.0926680              1.0000000        
P   1
  1      0.0353810              1.0000000        
P   1
  1      0.0108000              1.0000000        
D   9
  1    638.2790000              0.0001590        
  2    193.5630000              0.0016860        
  3     76.7492000              0.0117310        
  4     35.9784000              0.0416380        
  5     17.2655000              0.1068170        
  6      8.6083500              0.2028410        
  7      4.3220800              0.2834890        
  8      2.1438300              0.3024140        
  9      1.0383000              0.2434980        
D   1
  1      0.4824520              1.0000000        
D   1
  1      0.2042480              1.0000000        
D   1
  1      0.0800000              1.0000000        
D   1
  1      0.0270000              1.0000000        
F   1
  1      0.4817000              1.0000000        
F   1
  1      0.1886000              1.0000000        
F   1
  1      0.0679000              1.0000000        
G   1
  1      0.4139000              1.0000000        
G   1
  1      0.1671000              1.0000000


name: aug-cc-pVQZ-PP
description: VQZPD Valence Quadruple Zeta + Polarization on All Atoms
elt: Ge
data:
GERMANIUM
S   10
  1  25151.7000000              0.0000420        
  2   3785.3800000              0.0003150        
  3    860.4780000              0.0014180        
  4    235.9820000              0.0038190        
  5     51.6460000             -0.0176720        
  6     32.2696000              0.2014420        
  7     20.1619000             -0.3258430        
  8     10.8084000             -0.2425770        
  9      3.8365500              0.4151180        
 10      2.0392400              0.5931230        
S   10
  1  25151.7000000             -0.0000130        
  2   3785.3800000             -0.0000990        
  3    860.4780000             -0.0004520        
  4    235.9820000             -0.0012000        
  5     51.6460000              0.0042570        
  6     32.2696000             -0.0581880        
  7     20.1619000              0.1002670        
  8     10.8084000              0.0725920        
  9      3.8365500             -0.1458830        
 10      2.0392400             -0.2881030        
S   1
  1      1.0316300              1.0000000        
S   1
  1      0.3470900              1.0000000        
S   1
  1      0.1554010              1.0000000        
S   1
  1      0.0664650              1.0000000        
S   1
  1      0.0261000              1.0000000        
P   8
  1    466.3180000              0.0002470        
  2     79.4790000              0.0044640        
  3     31.7888000             -0.0209550        
  4     19.4127000             -0.0712630        
  5      6.1333000              0.2827600        
  6      3.0814100              0.4597000        
  7      1.5165300              0.3195370        
  8      0.7159120              0.0716560        
P   8
  1    466.3180000             -0.0000520        
  2     79.4790000             -0.0010010        
  3     31.7888000              0.0051450        
  4     19.4127000              0.0143770        
  5      6.1333000             -0.0687950        
  6      3.0814100             -0.1082560        
  7      1.5165300             -0.1011480        
  8      0.7159120              0.0549850        
P   1
  1      0.2911430              1.0000000        
P   1
  1      0.1190150              1.0000000        
P   1
  1      0.0476750              1.0000000        
P   1
  1      0.0176000              1.0000000        
D   9
  1    745.7170000              0.0001400        
  2    226.1110000              0.0014730        
  3     89.1353000              0.0102010        
  4     41.7727000              0.0391790        
  5     20.0914000              0.1019350        
  6     10.0889000              0.1993250        
  7      5.1086700              0.2831690        
  8      2.5627600              0.3068580        
  9      1.2608200              0.2452700        
D   1
  1      0.5958460              1.0000000        
D   1
  1      0.2538350              1.0000000        
D   1
  1      0.1021000              1.0000000        
D   1
  1      0.0385000              1.0000000        
F   1
  1      0.5517000              1.0000000        
F   1
  1      0.2214000              1.0000000        
F   1
  1      0.0883000              1.0000000        
G   1
  1      0.4789000              1.0000000        
G   1
  1      0.2105000              1.0000000


name: aug-cc-pVQZ-PP
description: VQZPD Valence Quadruple Zeta + Polarization on All Atoms
elt: As
data:
ARSENIC
S   10
  1  82731.9000000              0.0000160        
  2  12384.7000000              0.0001260        
  3   2814.4100000              0.0006280        
  4    792.0460000              0.0023020        
  5    246.5820000              0.0056700        
  6     32.6788000              0.1779680        
  7     20.4343000             -0.3662610        
  8     10.7120000             -0.1810840        
  9      4.0641400              0.4402710        
 10      2.1269600              0.5914510        
S   10
  1  82731.9000000             -0.0000060        
  2  12384.7000000             -0.0000430        
  3   2814.4100000             -0.0002270        
  4    792.0460000             -0.0007790        
  5    246.5820000             -0.0021070        
  6     32.6788000             -0.0585840        
  7     20.4343000              0.1259760        
  8     10.7120000              0.0560640        
  9      4.0641400             -0.1680180        
 10      2.1269600             -0.3403450        
S   1
  1      1.0876800              1.0000000        
S   1
  1      0.4113150              1.0000000        
S   1
  1      0.1849860              1.0000000        
S   1
  1      0.0803590              1.0000000        
S   1
  1      0.0316000              1.0000000        
P   8
  1    457.7400000              0.0003210        
  2     78.0589000              0.0056960        
  3     35.2655000             -0.0136450        
  4     22.0400000             -0.0803730        
  5      6.5643000              0.2936290        
  6      3.2975400              0.4674820        
  7      1.6266000              0.3099600        
  8      0.7577020              0.0602750        
P   8
  1    457.7400000             -0.0000760        
  2     78.0589000             -0.0014860        
  3     35.2655000              0.0043200        
  4     22.0400000              0.0182230        
  5      6.5643000             -0.0811290        
  6      3.2975400             -0.1284090        
  7      1.6266000             -0.1108180        
  8      0.7577020              0.0889020        
P   1
  1      0.3325900              1.0000000        
P   1
  1      0.1426260              1.0000000        
P   1
  1      0.0592550              1.0000000        
P   1
  1      0.0221000              1.0000000        
D   9
  1    876.2550000              0.0001230        
  2    265.8320000              0.0012900        
  3    104.5470000              0.0088170        
  4     48.7351000              0.0376420        
  5     23.6907000              0.0959790        
  6     11.9123000              0.1917370        
  7      6.0602700              0.2816010        
  8      3.0596100              0.3126130        
  9      1.5190700              0.2503590        
D   1
  1      0.7247700              1.0000000        
D   1
  1      0.3090870              1.0000000        
D   1
  1      0.1263000              1.0000000        
D   1
  1      0.0474000              1.0000000        
F   1
  1      0.6440000              1.0000000        
F   1
  1      0.2650000              1.0000000        
F   1
  1      0.1032000              1.0000000        
G   1
  1      0.5585000              1.0000000        
G   1
  1      0.2314000              1.0000000


name: aug-cc-pVQZ-PP
description: VQZPD Valence Quadruple Zeta + Polarization on All Atoms
elt: Se
data:
SELENIUM
S   10
  1  73612.1000000              0.0000310        
  2  11056.7000000              0.0002410        
  3   2517.5200000              0.0011940        
  4    711.7830000              0.0042060        
  5    226.6280000              0.0092780        
  6     36.4131000              0.1596950        
  7     22.7601000             -0.2846340        
  8     13.3062000             -0.2125740        
  9      4.0545000              0.4951060        
 10      2.1449800              0.5549030        
S   10
  1  73612.1000000             -0.0000120        
  2  11056.7000000             -0.0000920        
  3   2517.5200000             -0.0004720        
  4    711.7830000             -0.0015950        
  5    226.6280000             -0.0037860        
  6     36.4131000             -0.0574930        
  7     22.7601000              0.1086680        
  8     13.3062000              0.0699680        
  9      4.0545000             -0.2139460        
 10      2.1449800             -0.3756850        
S   1
  1      1.1214700              1.0000000        
S   1
  1      0.4694240              1.0000000        
S   1
  1      0.2126970              1.0000000        
S   1
  1      0.0930270              1.0000000        
S   1
  1      0.0359000              1.0000000        
P   8
  1    474.0070000              0.0003940        
  2     83.4691000              0.0058600        
  3     39.0045000             -0.0069760        
  4     24.3856000             -0.0858220        
  5      7.0513300              0.2994180        
  6      3.5538000              0.4725250        
  7      1.7637600              0.3022520        
  8      0.8205560              0.0540210        
P   8
  1    474.0070000             -0.0001010        
  2     83.4691000             -0.0017120        
  3     39.0045000              0.0031420        
  4     24.3856000              0.0211090        
  5      7.0513300             -0.0907930        
  6      3.5538000             -0.1449380        
  7      1.7637600             -0.1162720        
  8      0.8205560              0.1305990        
P   1
  1      0.3681060              1.0000000        
P   1
  1      0.1583980              1.0000000        
P   1
  1      0.0656420              1.0000000        
P   1
  1      0.0253000              1.0000000        
D   9
  1   1001.0700000              0.0001120        
  2    303.6460000              0.0011740        
  3    119.3050000              0.0079210        
  4     55.1135000              0.0360420        
  5     27.0558000              0.0929110        
  6     13.6264000              0.1882660        
  7      6.9625000              0.2813260        
  8      3.5385100              0.3159950        
  9      1.7732100              0.2520300        
D   1
  1      0.8534730              1.0000000        
D   1
  1      0.3636500              1.0000000        
D   1
  1      0.1506000              1.0000000        
D   1
  1      0.0597000              1.0000000        
F   1
  1      0.7109000              1.0000000        
F   1
  1      0.2847000              1.0000000        
F   1
  1      0.1193000              1.0000000        
G   1
  1      0.5817000              1.0000000        
G   1
  1      0.2602000              1.0000000


name: aug-cc-pVQZ-PP
description: VQZPD Valence Quadruple Zeta + Polarization on All Atoms
elt: Br
data:
BROMINE
S   10
  1  78967.5000000              0.0000280        
  2  11809.7000000              0.0002140        
  3   2687.1400000              0.0010560        
  4    760.0360000              0.0036880        
  5    241.8110000              0.0079340        
  6     38.4914000              0.1528680        
  7     24.0586000             -0.2786020        
  8     14.3587000             -0.2188500        
  9      4.3773700              0.4960050        
 10      2.3518200              0.5523410        
S   10
  1  78967.5000000             -0.0000110        
  2  11809.7000000             -0.0000860        
  3   2687.1400000             -0.0004350        
  4    760.0360000             -0.0014570        
  5    241.8110000             -0.0033810        
  6     38.4914000             -0.0576580        
  7     24.0586000              0.1123250        
  8     14.3587000              0.0756730        
  9      4.3773700             -0.2249200        
 10      2.3518200             -0.4067380        
S   1
  1      1.2510500              1.0000000        
S   1
  1      0.5294680              1.0000000        
S   1
  1      0.2418960              1.0000000        
S   1
  1      0.1064860              1.0000000        
S   1
  1      0.0407000              1.0000000        
P   8
  1    503.6320000              0.0004640        
  2     93.0023000              0.0054560        
  3     42.5100000             -0.0013070        
  4     26.5778000             -0.0887240        
  5      7.5809700              0.3001460        
  6      3.8588700              0.4722000        
  7      1.9430900              0.2982910        
  8      0.9242090              0.0537770        
P   8
  1    503.6320000             -0.0001290        
  2     93.0023000             -0.0017470        
  3     42.5100000              0.0018620        
  4     26.5778000              0.0234510        
  5      7.5809700             -0.0989990        
  6      3.8588700             -0.1577990        
  7      1.9430900             -0.1232600        
  8      0.9242090              0.1538350        
P   1
  1      0.4177330              1.0000000        
P   1
  1      0.1808530              1.0000000        
P   1
  1      0.0751540              1.0000000        
P   1
  1      0.0295000              1.0000000        
D   9
  1   1097.7200000              0.0001110        
  2    332.9290000              0.0011530        
  3    130.8000000              0.0076900        
  4     60.1271000              0.0357150        
  5     29.7430000              0.0930320        
  6     15.0381000              0.1885660        
  7      7.7313200              0.2835430        
  8      3.9619300              0.3179110        
  9      2.0044900              0.2481490        
D   1
  1      0.9732760              1.0000000        
D   1
  1      0.4146780              1.0000000        
D   1
  1      0.1747000              1.0000000        
D   1
  1      0.0747000              1.0000000        
F   1
  1      0.8255000              1.0000000        
F   1
  1      0.3409000              1.0000000        
F   1
  1      0.1613000              1.0000000        
G   1
  1      0.6582000              1.0000000        
G   1
  1      0.3067000              1.0000000


name: aug-cc-pVQZ-PP
description: VQZPD Valence Quadruple Zeta + Polarization on All Atoms
elt: Kr
data:
KRYPTON
S   10
  1  76661.6000000              0.0000470        
  2  11509.1000000              0.0003580        
  3   2619.7900000              0.0017640        
  4    740.0440000              0.0060970        
  5    235.3410000              0.0126810        
  6     42.3839000              0.1378460        
  7     26.5014000             -0.1928550        
  8     16.5732000             -0.2783680        
  9      4.5911400              0.5190560        
 10      2.4936800              0.5345950        
S   10
  1  76661.6000000             -0.0000210        
  2  11509.1000000             -0.0001560        
  3   2619.7900000             -0.0007870        
  4    740.0440000             -0.0026470        
  5    235.3410000             -0.0058210        
  6     42.3839000             -0.0565500        
  7     26.5014000              0.0888470        
  8     16.5732000              0.0988730        
  9      4.5911400             -0.2533780        
 10      2.4936800             -0.4308890        
S   1
  1      1.3510500              1.0000000        
S   1
  1      0.5872400              1.0000000        
S   1
  1      0.2708180              1.0000000        
S   1
  1      0.1203850              1.0000000        
S   1
  1      0.0455000              1.0000000        
P   8
  1    546.9030000              0.0005220        
  2    106.9980000              0.0047140        
  3     46.5133000              0.0065750        
  4     29.0722000             -0.0943870        
  5      8.1471300              0.3012610        
  6      4.1953500              0.4704050        
  7      2.1482200              0.2947310        
  8      1.0521500              0.0550150        
P   8
  1    546.9030000             -0.0001530        
  2    106.9980000             -0.0016280        
  3     46.5133000             -0.0003650        
  4     29.0722000              0.0264490        
  5      8.1471300             -0.1062780        
  6      4.1953500             -0.1674120        
  7      2.1482200             -0.1298020        
  8      1.0521500              0.1675570        
P   1
  1      0.4777450              1.0000000        
P   1
  1      0.2081680              1.0000000        
P   1
  1      0.0868240              1.0000000        
P   1
  1      0.0337000              1.0000000        
D   9
  1   1171.0600000              0.0001150        
  2    355.3510000              0.0011940        
  3    139.6840000              0.0078820        
  4     64.0219000              0.0367930        
  5     31.8343000              0.0962870        
  6     16.1423000              0.1925500        
  7      8.3345400              0.2869610        
  8      4.2994000              0.3181250        
  9      2.1954300              0.2409670        
D   1
  1      1.0750800              1.0000000        
D   1
  1      0.4575000              1.0000000        
D   1
  1      0.1965000              1.0000000        
D   1
  1      0.0897000              1.0000000        
F   1
  1      0.9596000              1.0000000        
F   1
  1      0.4170000              1.0000000        
F   1
  1      0.2033000              1.0000000        
G   1
  1      0.7504000              1.0000000        
G   1
  1      0.3532000              1.0000000


name: aug-cc-pVQZ-PP
description: VQZPD Valence Quadruple Zeta + Polarization on All Atoms
elt: Y
data:
YTTRIUM
S   13
  1   5177.1300000              0.0000060        
  2    803.7880000              0.0000420        
  3    176.8550000              0.0001850        
  4     24.7094000              0.0068560        
  5     15.4311000             -0.0514100        
  6      9.6370600              0.1537220        
  7      3.6556900             -0.3427500        
  8      2.1887900             -0.2814160        
  9      0.9669010              0.4317850        
 10      0.5203350              0.6443500        
 11      0.2687380              0.2560410        
 12      0.0934310              0.0142160        
 13      0.0442780             -0.0008570        
S   13
  1   5177.1300000             -0.0000020        
  2    803.7880000             -0.0000130        
  3    176.8550000             -0.0000630        
  4     24.7094000             -0.0020340        
  5     15.4311000              0.0156890        
  6      9.6370600             -0.0487030        
  7      3.6556900              0.1209540        
  8      2.1887900              0.0857950        
  9      0.9669010             -0.1647410        
 10      0.5203350             -0.3133730        
 11      0.2687380             -0.2505130        
 12      0.0934310              0.3309260        
 13      0.0442780              0.6689400        
S   13
  1   5177.1300000             -0.0000030        
  2    803.7880000             -0.0000340        
  3    176.8550000             -0.0000560        
  4     24.7094000             -0.0065930        
  5     15.4311000              0.0389400        
  6      9.6370600             -0.1029080        
  7      3.6556900              0.2703540        
  8      2.1887900              0.0618350        
  9      0.9669010             -0.1353620        
 10      0.5203350             -1.2866270        
 11      0.2687380              0.5668990        
 12      0.0934310              2.0738270        
 13      0.0442780             -1.1966140        
S   13
  1   5177.1300000             -0.0000040        
  2    803.7880000             -0.0000520        
  3    176.8550000             -0.0000830        
  4     24.7094000             -0.0098760        
  5     15.4311000              0.0577990        
  6      9.6370600             -0.1538970        
  7      3.6556900              0.4217130        
  8      2.1887900              0.1309820        
  9      0.9669010             -0.5555320        
 10      0.5203350             -2.5771630        
 11      0.2687380              4.1711070        
 12      0.0934310             -1.4383750        
 13      0.0442780             -1.6047110        
S   13
  1   5177.1300000             -0.0000120        
  2    803.7880000              0.0000460        
  3    176.8550000             -0.0006750        
  4     24.7094000              0.0212080        
  5     15.4311000             -0.0598710        
  6      9.6370600              0.0151140        
  7      3.6556900             -0.0377770        
  8      2.1887900              1.1622360        
  9      0.9669010             -3.2770720        
 10      0.5203350              1.2701190        
 11      0.2687380              3.1537770        
 12      0.0934310             -6.7129510        
 13      0.0442780              7.3005270        
S   1
  1      0.0205860              1.0000000        
S   1
  1      0.0096000              1.0000000        
P   10
  1    107.4110000              0.0000910        
  2      7.8253700              0.0412730        
  3      4.8896400             -0.1207510        
  4      2.6346700             -0.0913090        
  5      1.2906400              0.2467110        
  6      0.6865630              0.4542820        
  7      0.3642540              0.3496890        
  8      0.1880790              0.1146010        
  9      0.0906470              0.0109550        
 10      0.0433930              0.0016130        
P   10
  1    107.4110000             -0.0000300        
  2      7.8253700             -0.0128200        
  3      4.8896400              0.0389180        
  4      2.6346700              0.0262170        
  5      1.2906400             -0.0850530        
  6      0.6865630             -0.1644870        
  7      0.3642540             -0.1767940        
  8      0.1880790              0.0390610        
  9      0.0906470              0.4379790        
 10      0.0433930              0.5157770        
P   10
  1    107.4110000             -0.0000650        
  2      7.8253700             -0.0284960        
  3      4.8896400              0.0852470        
  4      2.6346700              0.0687010        
  5      1.2906400             -0.1845780        
  6      0.6865630             -0.6131370        
  7      0.3642540             -0.2279870        
  8      0.1880790              1.3845570        
  9      0.0906470              0.1841280        
 10      0.0433930             -0.8904790        
P   10
  1    107.4110000             -0.0000790        
  2      7.8253700             -0.0378270        
  3      4.8896400              0.1192150        
  4      2.6346700              0.0674820        
  5      1.2906400             -0.2648700        
  6      0.6865630             -1.1887760        
  7      0.3642540              1.3402300        
  8      0.1880790              1.1973990        
  9      0.0906470             -2.3967800        
 10      0.0433930              0.7039560        
P   10
  1    107.4110000             -0.0001660        
  2      7.8253700             -0.0512630        
  3      4.8896400              0.1531410        
  4      2.6346700              0.2656770        
  5      1.2906400             -1.1525810        
  6      0.6865630             -1.1729520        
  7      0.3642540              4.9116730        
  8      0.1880790             -5.0069800        
  9      0.0906470              1.9625810        
 10      0.0433930              0.7231000        
P   1
  1      0.0203400              1.0000000        
P   1
  1      0.0095000              1.0000000        
D   9
  1     44.4707000              0.0001300        
  2     12.2260000              0.0012450        
  3      5.0145900             -0.0064180        
  4      1.6657600              0.0515240        
  5      0.8894000              0.1608100        
  6      0.4492320              0.2592560        
  7      0.2178540              0.3131190        
  8      0.1023240              0.2970510        
  9      0.0468400              0.1865630        
D   9
  1     44.4707000             -0.0001640        
  2     12.2260000             -0.0014080        
  3      5.0145900              0.0073280        
  4      1.6657600             -0.0672140        
  5      0.8894000             -0.1989690        
  6      0.4492320             -0.3268610        
  7      0.2178540             -0.2274790        
  8      0.1023240              0.2344810        
  9      0.0468400              0.5414920        
D   9
  1     44.4707000              0.0001980        
  2     12.2260000              0.0019390        
  3      5.0145900             -0.0100050        
  4      1.6657600              0.0955710        
  5      0.8894000              0.2915650        
  6      0.4492320              0.4281810        
  7      0.2178540             -0.3428950        
  8      0.1023240             -0.8129610        
  9      0.0468400              0.3614820        
D   9
  1     44.4707000             -0.0003660        
  2     12.2260000             -0.0021570        
  3      5.0145900              0.0129660        
  4      1.6657600             -0.1214120        
  5      0.8894000             -0.6795100        
  6      0.4492320              0.0093200        
  7      0.2178540              1.4118300        
  8      0.1023240             -0.9492730        
  9      0.0468400             -0.5277300        
D   1
  1      0.0205940              1.0000000        
D   1
  1      0.0091000              1.0000000        
F   1
  1      0.9135000              1.0000000        
F   1
  1      0.2836000              1.0000000        
F   1
  1      0.0880000              1.0000000        
F   1
  1      0.0277000              1.0000000        
G   1
  1      0.5819000              1.0000000        
G   1
  1      0.1735000              1.0000000        
G   1
  1      0.0537000              1.0000000        
H   1
  1      0.3395000              1.0000000        
H   1
  1      0.0987000              1.0000000


name: aug-cc-pVQZ-PP
description: VQZPD Valence Quadruple Zeta + Polarization on All Atoms
elt: Zr
data:
ZIRCONIUM
S   13
  1   5675.2400000              0.0000060        
  2    863.1340000              0.0000460        
  3    190.3400000              0.0001980        
  4     26.9090000              0.0070570        
  5     16.8039000             -0.0530490        
  6     10.4957000              0.1577920        
  7      3.9316800             -0.3577070        
  8      2.4065300             -0.2830480        
  9      1.0562800              0.4624190        
 10      0.5710270              0.6391000        
 11      0.2958580              0.2418360        
 12      0.1043250              0.0136140        
 13      0.0485630             -0.0007280        
S   13
  1   5675.2400000             -0.0000020        
  2    863.1340000             -0.0000150        
  3    190.3400000             -0.0000680        
  4     26.9090000             -0.0021350        
  5     16.8039000              0.0164650        
  6     10.4957000             -0.0508100        
  7      3.9316800              0.1293950        
  8      2.4065300              0.0858250        
  9      1.0562800             -0.1802650        
 10      0.5710270             -0.3258040        
 11      0.2958580             -0.2273070        
 12      0.1043250              0.3456950        
 13      0.0485630              0.6582420        
S   13
  1   5675.2400000             -0.0000030        
  2    863.1340000             -0.0000400        
  3    190.3400000             -0.0000710        
  4     26.9090000             -0.0072040        
  5     16.8039000              0.0429900        
  6     10.4957000             -0.1141280        
  7      3.9316800              0.3101060        
  8      2.4065300              0.0689160        
  9      1.0562800             -0.2137110        
 10      0.5710270             -1.4303860        
 11      0.2958580              0.8787700        
 12      0.1043250              1.8905350        
 13      0.0485630             -1.2450350        
S   13
  1   5675.2400000             -0.0000060        
  2    863.1340000             -0.0000510        
  3    190.3400000             -0.0001690        
  4     26.9090000             -0.0077740        
  5     16.8039000              0.0527550        
  6     10.4957000             -0.1563380        
  7      3.9316800              0.4515910        
  8      2.4065300              0.2384230        
  9      1.0562800             -1.1251000        
 10      0.5710270             -2.0104270        
 11      0.2958580              4.3180980        
 12      0.1043250             -2.3194350        
 13      0.0485630             -0.6481260        
S   13
  1   5675.2400000             -0.0000160        
  2    863.1340000              0.0000580        
  3    190.3400000             -0.0008910        
  4     26.9090000              0.0273980        
  5     16.8039000             -0.0769940        
  6     10.4957000              0.0179110        
  7      3.9316800             -0.0205690        
  8      2.4065300              1.4847690        
  9      1.0562800             -5.2993640        
 10      0.5710270              5.0797270        
 11      0.2958580             -0.0139520        
 12      0.1043250             -4.7172460        
 13      0.0485630              6.0430530        
S   1
  1      0.0223560              1.0000000        
S   1
  1      0.0103000              1.0000000        
P   10
  1    122.6140000              0.0000890        
  2      8.6017600              0.0431890        
  3      5.3756700             -0.1256900        
  4      2.8732600             -0.0984530        
  5      1.4314800              0.2616530        
  6      0.7585420              0.4684370        
  7      0.3983330              0.3431180        
  8      0.2005520              0.1015390        
  9      0.0942630              0.0077750        
 10      0.0439730              0.0014680        
P   10
  1    122.6140000             -0.0000290        
  2      8.6017600             -0.0132920        
  3      5.3756700              0.0402610        
  4      2.8732600              0.0278420        
  5      1.4314800             -0.0900280        
  6      0.7585420             -0.1740550        
  7      0.3983330             -0.1576400        
  8      0.2005520              0.0813280        
  9      0.0942630              0.4341340        
 10      0.0439730              0.4929950        
P   10
  1    122.6140000             -0.0000420        
  2      8.6017600             -0.0186700        
  3      5.3756700              0.0562710        
  4      2.8732600              0.0412580        
  5      1.4314800             -0.1303570        
  6      0.7585420             -0.2424890        
  7      0.3983330             -0.2520430        
  8      0.2005520              0.2222450        
  9      0.0942630              0.6873330        
 10      0.0439730              0.2793880        
P   10
  1    122.6140000             -0.0000720        
  2      8.6017600             -0.0353270        
  3      5.3756700              0.1073430        
  4      2.8732600              0.0781030        
  5      1.4314800             -0.2483300        
  6      0.7585420             -0.7742400        
  7      0.3983330              0.1204770        
  8      0.2005520              1.5143590        
  9      0.0942630             -0.4188840        
 10      0.0439730             -0.7176520        
P   10
  1    122.6140000             -0.0001010        
  2      8.6017600             -0.0557630        
  3      5.3756700              0.1714680        
  4      2.8732600              0.1546890        
  5      1.4314800             -0.7228250        
  6      0.7585420             -1.2765790        
  7      0.3983330              2.9768200        
  8      0.2005520             -1.0541120        
  9      0.0942630             -1.4600030        
 10      0.0439730              1.3306580        
P   1
  1      0.0202460              1.0000000        
P   1
  1      0.0093000              1.0000000        
D   9
  1     48.6431000              0.0001600        
  2     13.5835000              0.0015130        
  3      5.3945300             -0.0091330        
  4      1.8630000              0.0638690        
  5      1.0079200              0.1893790        
  6      0.5198200              0.2877480        
  7      0.2594550              0.3152610        
  8      0.1255900              0.2608760        
  9      0.0589320              0.1415580        
D   9
  1     48.6431000             -0.0001990        
  2     13.5835000             -0.0016270        
  3      5.3945300              0.0100510        
  4      1.8630000             -0.0817780        
  5      1.0079200             -0.2318160        
  6      0.5198200             -0.3431630        
  7      0.2594550             -0.1316050        
  8      0.1255900              0.3309010        
  9      0.0589320              0.5074600        
D   9
  1     48.6431000              0.0003110        
  2     13.5835000              0.0020970        
  3      5.3945300             -0.0135190        
  4      1.8630000              0.1372450        
  5      1.0079200              0.3797260        
  6      0.5198200              0.3322720        
  7      0.2594550             -0.5609850        
  8      0.1255900             -0.6443880        
  9      0.0589320              0.4851650        
D   9
  1     48.6431000             -0.0004680        
  2     13.5835000             -0.0028050        
  3      5.3945300              0.0199580        
  4      1.8630000             -0.2202750        
  5      1.0079200             -0.7531930        
  6      0.5198200              0.4522480        
  7      0.2594550              1.1905720        
  8      0.1255900             -1.2301770        
  9      0.0589320             -0.2159390        
D   1
  1      0.0262290              1.0000000        
D   1
  1      0.0117000              1.0000000        
F   1
  1      1.3601000              1.0000000        
F   1
  1      0.4291000              1.0000000        
F   1
  1      0.1354000              1.0000000        
F   1
  1      0.0454000              1.0000000        
G   1
  1      0.8169000              1.0000000        
G   1
  1      0.2490000              1.0000000        
G   1
  1      0.0851000              1.0000000        
H   1
  1      0.5010000              1.0000000        
H   1
  1      0.1681000              1.0000000


name: aug-cc-pVQZ-PP
description: VQZPD Valence Quadruple Zeta + Polarization on All Atoms
elt: Nb
data:
NIOBIUM
S   13
  1   5729.3600000              0.0000080        
  2    898.7570000              0.0000520        
  3    203.1540000              0.0002160        
  4     29.0821000              0.0073960        
  5     18.1596000             -0.0552510        
  6     11.3420000              0.1632580        
  7      4.2245400             -0.3721490        
  8      2.6381700             -0.2827570        
  9      1.1509900              0.4840580        
 10      0.6250000              0.6333390        
 11      0.3244810              0.2343950        
 12      0.1141370              0.0132460        
 13      0.0524230             -0.0007750        
S   13
  1   5729.3600000             -0.0000030        
  2    898.7570000             -0.0000170        
  3    203.1540000             -0.0000750        
  4     29.0821000             -0.0022520        
  5     18.1596000              0.0172420        
  6     11.3420000             -0.0528630        
  7      4.2245400              0.1363550        
  8      2.6381700              0.0845410        
  9      1.1509900             -0.1912600        
 10      0.6250000             -0.3296300        
 11      0.3244810             -0.2097360        
 12      0.1141370              0.3537950        
 13      0.0524230              0.6495660        
S   13
  1   5729.3600000             -0.0000040        
  2    898.7570000             -0.0000460        
  3    203.1540000             -0.0000850        
  4     29.0821000             -0.0076920        
  5     18.1596000              0.0460280        
  6     11.3420000             -0.1222600        
  7      4.2245400              0.3382530        
  8      2.6381700              0.0701100        
  9      1.1509900             -0.2716550        
 10      0.6250000             -1.4798190        
 11      0.3244810              1.0436440        
 12      0.1141370              1.7512880        
 13      0.0524230             -1.2255670        
S   13
  1   5729.3600000             -0.0000080        
  2    898.7570000             -0.0000580        
  3    203.1540000             -0.0002260        
  4     29.0821000             -0.0074160        
  5     18.1596000              0.0539120        
  6     11.3420000             -0.1667540        
  7      4.2245400              0.5029010        
  8      2.6381700              0.2662620        
  9      1.1509900             -1.5007590        
 10      0.6250000             -1.5285370        
 11      0.3244810              4.2085080        
 12      0.1141370             -2.6574950        
 13      0.0524230             -0.1836000        
S   13
  1   5729.3600000             -0.0000200        
  2    898.7570000              0.0000500        
  3    203.1540000             -0.0009920        
  4     29.0821000              0.0264760        
  5     18.1596000             -0.0672280        
  6     11.3420000             -0.0180330        
  7      4.2245400              0.1081030        
  8      2.6381700              1.5653000        
  9      1.1509900             -6.7398560        
 10      0.6250000              7.9760920        
 11      0.3244810             -2.5603720        
 12      0.1141370             -2.9311650        
 13      0.0524230              4.7735390        
S   1
  1      0.0239040              1.0000000        
S   1
  1      0.0109000              1.0000000        
P   10
  1    138.4600000              0.0000870        
  2      9.3123800              0.0460850        
  3      5.8201500             -0.1347720        
  4      3.0589600             -0.1053350        
  5      1.5902700              0.2747760        
  6      0.8361380              0.4792360        
  7      0.4360320              0.3375730        
  8      0.2167160              0.0941580        
  9      0.1018830              0.0062330        
 10      0.0473870              0.0014690        
P   10
  1    138.4600000             -0.0000290        
  2      9.3123800             -0.0143860        
  3      5.8201500              0.0438130        
  4      3.0589600              0.0302870        
  5      1.5902700             -0.0963090        
  6      0.8361380             -0.1837030        
  7      0.4360320             -0.1496950        
  8      0.2167160              0.1031560        
  9      0.1018830              0.4396420        
 10      0.0473870              0.4785870        
P   10
  1    138.4600000             -0.0000430        
  2      9.3123800             -0.0210770        
  3      5.8201500              0.0638960        
  4      3.0589600              0.0466950        
  5      1.5902700             -0.1449560        
  6      0.8361380             -0.2742540        
  7      0.4360320             -0.2375990        
  8      0.2167160              0.2952600        
  9      0.1018830              0.6708660        
 10      0.0473870              0.2356770        
P   10
  1    138.4600000             -0.0000730        
  2      9.3123800             -0.0390570        
  3      5.8201500              0.1198810        
  4      3.0589600              0.0864220        
  5      1.5902700             -0.2891420        
  6      0.8361380             -0.8052000        
  7      0.4360320              0.2953950        
  8      0.2167160              1.4185360        
  9      0.1018830             -0.5209570        
 10      0.0473870             -0.6615440        
P   10
  1    138.4600000             -0.0001020        
  2      9.3123800             -0.0630370        
  3      5.8201500              0.1953600        
  4      3.0589600              0.1871900        
  5      1.5902700             -0.9029120        
  6      0.8361380             -1.0655850        
  7      0.4360320              3.0265000        
  8      0.2167160             -1.4246220        
  9      0.1018830             -1.1257930        
 10      0.0473870              1.2566670        
P   1
  1      0.0217480              1.0000000        
P   1
  1      0.0100000              1.0000000        
D   9
  1     55.5243000              0.0001800        
  2     15.8430000              0.0015650        
  3      5.7920600             -0.0100360        
  4      2.1776800              0.0585180        
  5      1.2209000              0.1897930        
  6      0.6445770              0.2945090        
  7      0.3278110              0.3174790        
  8      0.1609180              0.2524380        
  9      0.0761310              0.1316200        
D   9
  1     55.5243000             -0.0002210        
  2     15.8430000             -0.0016600        
  3      5.7920600              0.0108870        
  4      2.1776800             -0.0759490        
  5      1.2209000             -0.2327040        
  6      0.6445770             -0.3415990        
  7      0.3278110             -0.1222670        
  8      0.1609180              0.3328420        
  9      0.0761310              0.5027080        
D   9
  1     55.5243000              0.0003560        
  2     15.8430000              0.0023390        
  3      5.7920600             -0.0159450        
  4      2.1776800              0.1419710        
  5      1.2209000              0.4109560        
  6      0.6445770              0.3210380        
  7      0.3278110             -0.5989470        
  8      0.1609180             -0.6084580        
  9      0.0761310              0.4610850        
D   9
  1     55.5243000             -0.0005480        
  2     15.8430000             -0.0030070        
  3      5.7920600              0.0229940        
  4      2.1776800             -0.2487660        
  5      1.2209000             -0.7513270        
  6      0.6445770              0.5055700        
  7      0.3278110              1.1509160        
  8      0.1609180             -1.1909780        
  9      0.0761310             -0.2850970        
D   1
  1      0.0339110              1.0000000        
D   1
  1      0.0151000              1.0000000        
F   1
  1      1.8010000              1.0000000        
F   1
  1      0.5748000              1.0000000        
F   1
  1      0.1835000              1.0000000        
F   1
  1      0.0634000              1.0000000        
G   1
  1      1.0578000              1.0000000        
G   1
  1      0.3318000              1.0000000        
G   1
  1      0.1221000              1.0000000        
H   1
  1      0.6732000              1.0000000        
H   1
  1      0.2487000              1.0000000


name: aug-cc-pVQZ-PP
description: VQZPD Valence Quadruple Zeta + Polarization on All Atoms
elt: Mo
data:
MOLYBDENUM
S   13
  1   6711.2300000              0.0000080        
  2    988.2620000              0.0000590        
  3    216.2910000              0.0002440        
  4     31.1617000              0.0077510        
  5     19.4654000             -0.0577500        
  6     12.1603000              0.1702780        
  7      4.5171000             -0.3983930        
  8      2.8203200             -0.2761780        
  9      1.2602800              0.5039470        
 10      0.6800130              0.6368170        
 11      0.3514060              0.2246810        
 12      0.1247460              0.0120130        
 13      0.0566870             -0.0007040        
S   13
  1   6711.2300000             -0.0000030        
  2    988.2620000             -0.0000190        
  3    216.2910000             -0.0000840        
  4     31.1617000             -0.0023280        
  5     19.4654000              0.0178340        
  6     12.1603000             -0.0546970        
  7      4.5171000              0.1452280        
  8      2.8203200              0.0805810        
  9      1.2602800             -0.1986470        
 10      0.6800130             -0.3318030        
 11      0.3514060             -0.1945790        
 12      0.1247460              0.3483100        
 13      0.0566870              0.6441110        
S   13
  1   6711.2300000             -0.0000050        
  2    988.2620000             -0.0000490        
  3    216.2910000             -0.0001130        
  4     31.1617000             -0.0076210        
  5     19.4654000              0.0466430        
  6     12.1603000             -0.1260310        
  7      4.5171000              0.3550690        
  8      2.8203200              0.0788460        
  9      1.2602800             -0.3292100        
 10      0.6800130             -1.4622420        
 11      0.3514060              1.1047470        
 12      0.1247460              1.6428490        
 13      0.0566870             -1.1446510        
S   13
  1   6711.2300000             -0.0000090        
  2    988.2620000             -0.0000660        
  3    216.2910000             -0.0002910        
  4     31.1617000             -0.0072570        
  5     19.4654000              0.0559090        
  6     12.1603000             -0.1790880        
  7      4.5171000              0.5626060        
  8      2.8203200              0.2990240        
  9      1.2602800             -1.8724510        
 10      0.6800130             -0.9933480        
 11      0.3514060              3.9567310        
 12      0.1247460             -2.7368330        
 13      0.0566870             -0.0070370        
S   13
  1   6711.2300000             -0.0000180        
  2    988.2620000             -0.0000170        
  3    216.2910000             -0.0008440        
  4     31.1617000              0.0129570        
  5     19.4654000             -0.0099490        
  6     12.1603000             -0.1236980        
  7      4.5171000              0.4468930        
  8      2.8203200              1.4039530        
  9      1.2602800             -7.7842940        
 10      0.6800130             10.2859540        
 11      0.3514060             -4.7884940        
 12      0.1247460             -1.2294860        
 13      0.0566870              3.4559250        
S   1
  1      0.0255690              1.0000000        
S   1
  1      0.0115000              1.0000000        
P   10
  1    152.9580000              0.0000890        
  2     10.0454000              0.0486580        
  3      6.2786900             -0.1429160        
  4      3.2529000             -0.1119240        
  5      1.7561900              0.2872550        
  6      0.9164400              0.4882670        
  7      0.4752100              0.3325040        
  8      0.2340410              0.0879450        
  9      0.1099870              0.0051370        
 10      0.0509000              0.0014690        
P   10
  1    152.9580000             -0.0000300        
  2     10.0454000             -0.0151180        
  3      6.2786900              0.0462370        
  4      3.2529000              0.0321610        
  5      1.7561900             -0.1003680        
  6      0.9164400             -0.1878280        
  7      0.4752100             -0.1412290        
  8      0.2340410              0.1129270        
  9      0.1099870              0.4365490        
 10      0.0509000              0.4735680        
P   10
  1    152.9580000             -0.0000460        
  2     10.0454000             -0.0234060        
  3      6.2786900              0.0713700        
  4      3.2529000              0.0523310        
  5      1.7561900             -0.1606860        
  6      0.9164400             -0.3056960        
  7      0.4752100             -0.2096950        
  8      0.2340410              0.3498440        
  9      0.1099870              0.6427110        
 10      0.0509000              0.2113020        
P   10
  1    152.9580000             -0.0000820        
  2     10.0454000             -0.0425660        
  3      6.2786900              0.1316610        
  4      3.2529000              0.1041920        
  5      1.7561900             -0.3540870        
  6      0.9164400             -0.8231200        
  7      0.4752100              0.4691120        
  8      0.2340410              1.3060670        
  9      0.1099870             -0.6005210        
 10      0.0509000             -0.6033790        
P   10
  1    152.9580000             -0.0001570        
  2     10.0454000             -0.0617300        
  3      6.2786900              0.1912730        
  4      3.2529000              0.3034920        
  5      1.7561900             -1.2601600        
  6      0.9164400             -0.6601690        
  7      0.4752100              2.9941100        
  8      0.2340410             -1.8628630        
  9      0.1099870             -0.6548950        
 10      0.0509000              1.0766410        
P   1
  1      0.0231980              1.0000000        
P   1
  1      0.0106000              1.0000000        
D   9
  1     64.0194000              0.0001670        
  2     17.5538000              0.0016530        
  3      6.5001600             -0.0132930        
  4      2.4048200              0.0670070        
  5      1.3421000              0.2091290        
  6      0.7078230              0.3096950        
  7      0.3603360              0.3139960        
  8      0.1770770              0.2323510        
  9      0.0836650              0.1119340        
D   9
  1     64.0194000             -0.0001970        
  2     17.5538000             -0.0017110        
  3      6.5001600              0.0142690        
  4      2.4048200             -0.0826730        
  5      1.3421000             -0.2573070        
  6      0.7078230             -0.3434210        
  7      0.3603360             -0.0548000        
  8      0.1770770              0.3765310        
  9      0.0836650              0.4797980        
D   9
  1     64.0194000              0.0003680        
  2     17.5538000              0.0022850        
  3      6.5001600             -0.0210710        
  4      2.4048200              0.1657440        
  5      1.3421000              0.4848470        
  6      0.7078230              0.2113940        
  7      0.3603360             -0.7066180        
  8      0.1770770             -0.4649570        
  9      0.0836650              0.5321680        
D   9
  1     64.0194000             -0.0003500        
  2     17.5538000             -0.0041070        
  3      6.5001600              0.0359670        
  4      2.4048200             -0.2938650        
  5      1.3421000             -0.8126500        
  6      0.7078230              0.8503400        
  7      0.3603360              0.8690250        
  8      0.1770770             -1.3237980        
  9      0.0836650              0.0049480        
D   1
  1      0.0370260              1.0000000        
D   1
  1      0.0164000              1.0000000        
F   1
  1      2.1810000              1.0000000        
F   1
  1      0.7026000              1.0000000        
F   1
  1      0.2263000              1.0000000        
F   1
  1      0.0792000              1.0000000        
G   1
  1      1.2568000              1.0000000        
G   1
  1      0.4007000              1.0000000        
G   1
  1      0.1525000              1.0000000        
H   1
  1      0.8384000              1.0000000        
H   1
  1      0.3289000              1.0000000


name: aug-cc-pVQZ-PP
description: VQZPD Valence Quadruple Zeta + Polarization on All Atoms
elt: Tc
data:
TECHNETIUM
S   13
  1   7011.0800000              0.0000090        
  2   1046.1000000              0.0000670        
  3    230.4930000              0.0002740        
  4     33.3218000              0.0082370        
  5     20.8105000             -0.0606330        
  6     12.9975000              0.1778160        
  7      4.8305100             -0.4220620        
  8      3.0155200             -0.2693360        
  9      1.3706200              0.5218430        
 10      0.7358360              0.6380050        
 11      0.3788160              0.2160910        
 12      0.1335490              0.0112120        
 13      0.0601560             -0.0003020        
S   13
  1   7011.0800000             -0.0000030        
  2   1046.1000000             -0.0000220        
  3    230.4930000             -0.0000930        
  4     33.3218000             -0.0024160        
  5     20.8105000              0.0183200        
  6     12.9975000             -0.0560010        
  7      4.8305100              0.1511880        
  8      3.0155200              0.0755970        
  9      1.3706200             -0.2027390        
 10      0.7358360             -0.3248550        
 11      0.3788160             -0.1823170        
 12      0.1335490              0.3372970        
 13      0.0601560              0.6378330        
S   13
  1   7011.0800000             -0.0000060        
  2   1046.1000000             -0.0000540        
  3    230.4930000             -0.0001390        
  4     33.3218000             -0.0077180        
  5     20.8105000              0.0477700        
  6     12.9975000             -0.1303120        
  7      4.8305100              0.3691480        
  8      3.0155200              0.0873940        
  9      1.3706200             -0.3819580        
 10      0.7358360             -1.4316690        
 11      0.3788160              1.1436500        
 12      0.1335490              1.5516400        
 13      0.0601560             -1.0701580        
S   13
  1   7011.0800000             -0.0000110        
  2   1046.1000000             -0.0000760        
  3    230.4930000             -0.0003310        
  4     33.3218000             -0.0077450        
  5     20.8105000              0.0590240        
  6     12.9975000             -0.1882670        
  7      4.8305100              0.5902840        
  8      3.0155200              0.3330380        
  9      1.3706200             -2.0874360        
 10      0.7358360             -0.6503990        
 11      0.3788160              3.7087420        
 12      0.1335490             -2.6700620        
 13      0.0601560              0.0200220        
S   13
  1   7011.0800000             -0.0000160        
  2   1046.1000000             -0.0001130        
  3    230.4930000             -0.0005110        
  4     33.3218000             -0.0109830        
  5     20.8105000              0.0864930        
  6     12.9975000             -0.2861790        
  7      4.8305100              1.0012380        
  8      3.0155200              0.7225520        
  9      1.3706200             -7.6503270        
 10      0.7358360             10.7993970        
 11      0.3788160             -5.5917980        
 12      0.1335490             -0.4226910        
 13      0.0601560              2.7545010        
S   1
  1      0.0269230              1.0000000        
S   1
  1      0.0120000              1.0000000        
P   10
  1    165.0311000              0.0000940        
  2     10.7957000              0.0509640        
  3      6.7484100             -0.1500490        
  4      3.4824900             -0.1153530        
  5      1.9185300              0.2970100        
  6      1.0018800              0.4901870        
  7      0.5221550              0.3265400        
  8      0.2608820              0.0873840        
  9      0.1212740              0.0060650        
 10      0.0554020              0.0011260        
P   10
  1    165.0311000             -0.0000310        
  2     10.7957000             -0.0155010        
  3      6.7484100              0.0475240        
  4      3.4824900              0.0326450        
  5      1.9185300             -0.1022890        
  6      1.0018800             -0.1840740        
  7      0.5221550             -0.1346980        
  8      0.2608820              0.1036920        
  9      0.1212740              0.4224280        
 10      0.0554020              0.4828080        
P   10
  1    165.0311000             -0.0000510        
  2     10.7957000             -0.0254430        
  3      6.7484100              0.0778710        
  4      3.4824900              0.0573030        
  5      1.9185300             -0.1772360        
  6      1.0018800             -0.3257380        
  7      0.5221550             -0.1883490        
  8      0.2608820              0.3694040        
  9      0.1212740              0.6276010        
 10      0.0554020              0.2078840        
P   10
  1    165.0311000             -0.0000970        
  2     10.7957000             -0.0448590        
  3      6.7484100              0.1386420        
  4      3.4824900              0.1301660        
  5      1.9185300             -0.4343680        
  6      1.0018800             -0.7982230        
  7      0.5221550              0.5413080        
  8      0.2608820              1.2254840        
  9      0.1212740             -0.5919300        
 10      0.0554020             -0.5926290        
P   10
  1    165.0311000             -0.0002000        
  2     10.7957000             -0.0617730        
  3      6.7484100              0.1884450        
  4      3.4824900              0.4209310        
  5      1.9185300             -1.6231020        
  6      1.0018800             -0.2356560        
  7      0.5221550              2.8630840        
  8      0.2608820             -2.0324030        
  9      0.1212740             -0.4381220        
 10      0.0554020              0.9624810        
P   1
  1      0.0248480              1.0000000        
P   1
  1      0.0111000              1.0000000        
D   9
  1     71.1813000              0.0001750        
  2     19.5319000              0.0017220        
  3      7.2374300             -0.0138320        
  4      2.6113400              0.0740660        
  5      1.4773400              0.2185740        
  6      0.7880050              0.3134600        
  7      0.4049350              0.3079090        
  8      0.2003640              0.2213540        
  9      0.0949110              0.1051100        
D   9
  1     71.1813000             -0.0001940        
  2     19.5319000             -0.0017430        
  3      7.2374300              0.0144030        
  4      2.6113400             -0.0844590        
  5      1.4773400             -0.2669030        
  6      0.7880050             -0.3360340        
  7      0.4049350             -0.0315050        
  8      0.2003640              0.3870680        
  9      0.0949110              0.4744620        
D   9
  1     71.1813000              0.0003950        
  2     19.5319000              0.0025090        
  3      7.2374300             -0.0230280        
  4      2.6113400              0.1928110        
  5      1.4773400              0.5425200        
  6      0.7880050              0.1303490        
  7      0.4049350             -0.7811880        
  8      0.2003640             -0.3613460        
  9      0.0949110              0.5512450        
D   9
  1     71.1813000             -0.0002340        
  2     19.5319000             -0.0055190        
  3      7.2374300              0.0446410        
  4      2.6113400             -0.3882320        
  5      1.4773400             -0.8042540        
  6      0.7880050              1.1596620        
  7      0.4049350              0.5374260        
  8      0.2003640             -1.3024870        
  9      0.0949110              0.1537280        
D   1
  1      0.0419450              1.0000000        
D   1
  1      0.0185000              1.0000000        
F   1
  1      2.5389000              1.0000000        
F   1
  1      0.8280000              1.0000000        
F   1
  1      0.2700000              1.0000000        
F   1
  1      0.0956000              1.0000000        
G   1
  1      1.4683000              1.0000000        
G   1
  1      0.4823000              1.0000000        
G   1
  1      0.1907000              1.0000000        
H   1
  1      0.9932000              1.0000000        
H   1
  1      0.4063000              1.0000000


name: aug-cc-pVQZ-PP
description: VQZPD Valence Quadruple Zeta + Polarization on All Atoms
elt: Ru
data:
RUTHENIUM
S   13
  1   7269.8900000              0.0000110        
  2   1087.8400000              0.0000780        
  3    241.7870000              0.0003110        
  4     35.4525000              0.0087340        
  5     22.1415000             -0.0636040        
  6     13.8292000              0.1857150        
  7      5.1321300             -0.4544900        
  8      3.1705900             -0.2563420        
  9      1.4948700              0.5330450        
 10      0.8005300              0.6399720        
 11      0.4116380              0.2152730        
 12      0.1424170              0.0112610        
 13      0.0635630             -0.0000950        
S   13
  1   7269.8900000             -0.0000040        
  2   1087.8400000             -0.0000250        
  3    241.7870000             -0.0001060        
  4     35.4525000             -0.0024970        
  5     22.1415000              0.0188420        
  6     13.8292000             -0.0575810        
  7      5.1321300              0.1604580        
  8      3.1705900              0.0691260        
  9      1.4948700             -0.2039790        
 10      0.8005300             -0.3204980        
 11      0.4116380             -0.1746560        
 12      0.1424170              0.3326960        
 13      0.0635630              0.6303210        
S   13
  1   7269.8900000             -0.0000070        
  2   1087.8400000             -0.0000650        
  3    241.7870000             -0.0001740        
  4     35.4525000             -0.0083680        
  5     22.1415000              0.0517850        
  6     13.8292000             -0.1417710        
  7      5.1321300              0.4144270        
  8      3.1705900              0.0784730        
  9      1.4948700             -0.4446880        
 10      0.8005300             -1.4550350        
 11      0.4116380              1.2722320        
 12      0.1424170              1.4072450        
 13      0.0635630             -0.9996440        
S   13
  1   7269.8900000             -0.0000120        
  2   1087.8400000             -0.0000840        
  3    241.7870000             -0.0003620        
  4     35.4525000             -0.0076580        
  5     22.1415000              0.0584390        
  6     13.8292000             -0.1862370        
  7      5.1321300              0.5749660        
  8      3.1705900              0.4015520        
  9      1.4948700             -2.1997860        
 10      0.8005300             -0.4355220        
 11      0.4116380              3.4276070        
 12      0.1424170             -2.4454790        
 13      0.0635630             -0.1499430        
S   13
  1   7269.8900000             -0.0000160        
  2   1087.8400000             -0.0001810        
  3    241.7870000             -0.0003320        
  4     35.4525000             -0.0254290        
  5     22.1415000              0.1443970        
  6     13.8292000             -0.3836440        
  7      5.1321300              1.3902860        
  8      3.1705900              0.1271540        
  9      1.4948700             -6.8551520        
 10      0.8005300              9.6961050        
 11      0.4116380             -4.7399940        
 12      0.1424170             -0.9214660        
 13      0.0635630              3.0543570        
S   1
  1      0.0282960              1.0000000        
S   1
  1      0.0126000              1.0000000        
P   10
  1    174.3070000              0.0001030        
  2     11.5040000              0.0539940        
  3      7.1917600             -0.1610120        
  4      3.5749800             -0.1290380        
  5      2.1307800              0.3147630        
  6      1.0892200              0.5041410        
  7      0.5586370              0.3252710        
  8      0.2704770              0.0787020        
  9      0.1238960              0.0037630        
 10      0.0558230              0.0012860        
P   10
  1    174.3070000             -0.0000330        
  2     11.5040000             -0.0157130        
  3      7.1917600              0.0487720        
  4      3.5749800              0.0351930        
  5      2.1307800             -0.1032230        
  6      1.0892200             -0.1811150        
  7      0.5586370             -0.1243880        
  8      0.2704770              0.1120280        
  9      0.1238960              0.4225110        
 10      0.0558230              0.4772310        
P   10
  1    174.3070000             -0.0000610        
  2     11.5040000             -0.0287850        
  3      7.1917600              0.0893050        
  4      3.5749800              0.0707170        
  5      2.1307800             -0.2047470        
  6      1.0892200             -0.3715110        
  7      0.5586370             -0.1436350        
  8      0.2704770              0.4622210        
  9      0.1238960              0.5855810        
 10      0.0558230              0.1507490        
P   10
  1    174.3070000              0.0001120        
  2     11.5040000              0.0492620        
  3      7.1917600             -0.1538200        
  4      3.5749800             -0.1731520        
  5      2.1307800              0.5309750        
  6      1.0892200              0.8176260        
  7      0.5586370             -0.7867320        
  8      0.2704770             -1.0474860        
  9      0.1238960              0.7549080        
 10      0.0558230              0.4632510        
P   10
  1    174.3070000             -0.0002500        
  2     11.5040000             -0.0629920        
  3      7.1917600              0.1916210        
  4      3.5749800              0.6528290        
  5      2.1307800             -2.1533740        
  6      1.0892200              0.4094420        
  7      0.5586370              2.4570950        
  8      0.2704770             -2.2868480        
  9      0.1238960              0.0777690        
 10      0.0558230              0.7656040        
P   1
  1      0.0248420              1.0000000        
P   1
  1      0.0111000              1.0000000        
D   9
  1     75.3751000              0.0001800        
  2     19.8901000              0.0020840        
  3      7.8792400             -0.0186710        
  4      2.9083400              0.0780540        
  5      1.6388300              0.2263280        
  6      0.8757300              0.3171000        
  7      0.4504830              0.3050360        
  8      0.2227700              0.2151500        
  9      0.1053420              0.0997580        
D   9
  1     75.3751000             -0.0002030        
  2     19.8901000             -0.0020860        
  3      7.8792400              0.0194280        
  4      2.9083400             -0.0871060        
  5      1.6388300             -0.2864130        
  6      0.8757300             -0.3319080        
  7      0.4504830             -0.0021210        
  8      0.2227700              0.4023550        
  9      0.1053420              0.4543320        
D   9
  1     75.3751000             -0.0003550        
  2     19.8901000             -0.0031930        
  3      7.8792400              0.0319560        
  4      2.9083400             -0.1855990        
  5      1.6388300             -0.5831850        
  6      0.8757300             -0.0727660        
  7      0.4504830              0.7987070        
  8      0.2227700              0.3016360        
  9      0.1053420             -0.5409680        
D   9
  1     75.3751000             -0.0001820        
  2     19.8901000             -0.0072830        
  3      7.8792400              0.0616630        
  4      2.9083400             -0.4441680        
  5      1.6388300             -0.7998390        
  6      0.8757300              1.3061620        
  7      0.4504830              0.3470880        
  8      0.2227700             -1.2223020        
  9      0.1053420              0.1744000        
D   1
  1      0.0464550              1.0000000        
D   1
  1      0.0205000              1.0000000        
F   1
  1      2.8980000              1.0000000        
F   1
  1      0.9588000              1.0000000        
F   1
  1      0.3172000              1.0000000        
F   1
  1      0.1138000              1.0000000        
G   1
  1      1.7100000              1.0000000        
G   1
  1      0.5778000              1.0000000        
G   1
  1      0.2370000              1.0000000        
H   1
  1      1.1646000              1.0000000        
H   1
  1      0.4964000              1.0000000


name: aug-cc-pVQZ-PP
description: VQZPD Valence Quadruple Zeta + Polarization on All Atoms
elt: Rh
data:
RHODIUM
S   13
  1   7374.2200000              0.0000130        
  2   1114.7200000              0.0000920        
  3    249.9380000              0.0003570        
  4     37.5315000              0.0091740        
  5     23.4385000             -0.0666920        
  6     14.6379000              0.1956740        
  7      5.5542100             -0.4574820        
  8      3.4224200             -0.2746970        
  9      1.6492800              0.5224540        
 10      0.8832260              0.6524920        
 11      0.4519700              0.2257080        
 12      0.1530060              0.0117950        
 13      0.0678490             -0.0001350        
S   13
  1   7374.2200000             -0.0000040        
  2   1114.7200000             -0.0000290        
  3    249.9380000             -0.0001190        
  4     37.5315000             -0.0025760        
  5     23.4385000              0.0194110        
  6     14.6379000             -0.0596780        
  7      5.5542100              0.1589680        
  8      3.4224200              0.0738260        
  9      1.6492800             -0.1968910        
 10      0.8832260             -0.3141660        
 11      0.4519700             -0.1768790        
 12      0.1530060              0.3157110        
 13      0.0678490              0.6247220        
S   13
  1   7374.2200000             -0.0000090        
  2   1114.7200000             -0.0000760        
  3    249.9380000             -0.0002050        
  4     37.5315000             -0.0086430        
  5     23.4385000              0.0537070        
  6     14.6379000             -0.1483390        
  7      5.5542100              0.4122880        
  8      3.4224200              0.1007430        
  9      1.6492800             -0.4427320        
 10      0.8832260             -1.4323570        
 11      0.4519700              1.2199820        
 12      0.1530060              1.3428560        
 13      0.0678490             -0.8361540        
S   13
  1   7374.2200000             -0.0000140        
  2   1114.7200000             -0.0000950        
  3    249.9380000             -0.0003820        
  4     37.5315000             -0.0080940        
  5     23.4385000              0.0598120        
  6     14.6379000             -0.1876680        
  7      5.5542100              0.5255080        
  8      3.4224200              0.4667230        
  9      1.6492800             -2.0232050        
 10      0.8832260             -0.6914780        
 11      0.4519700              3.3320100        
 12      0.1530060             -1.9922090        
 13      0.0678490             -0.6067250        
S   13
  1   7374.2200000             -0.0000200        
  2   1114.7200000             -0.0002080        
  3    249.9380000             -0.0003950        
  4     37.5315000             -0.0264950        
  5     23.4385000              0.1507880        
  6     14.6379000             -0.4024970        
  7      5.5542100              1.3689580        
  8      3.4224200              0.2373890        
  9      1.6492800             -6.6015610        
 10      0.8832260              8.6166140        
 11      0.4519700             -3.5310110        
 12      0.1530060             -1.7537080        
 13      0.0678490              3.5259850        
S   1
  1      0.0299320              1.0000000        
S   1
  1      0.0132000              1.0000000        
P   10
  1    186.8620000              0.0001090        
  2     12.3059000              0.0560310        
  3      7.6935800             -0.1675940        
  4      3.7795600             -0.1363730        
  5      2.3232600              0.3251810        
  6      1.1847300              0.5055390        
  7      0.6092370              0.3232040        
  8      0.2968270              0.0788210        
  9      0.1372710              0.0040650        
 10      0.0621260              0.0012500        
P   10
  1    186.8620000             -0.0000350        
  2     12.3059000             -0.0167420        
  3      7.6935800              0.0520850        
  4      3.7795600              0.0385720        
  5      2.3232600             -0.1095340        
  6      1.1847300             -0.1882860        
  7      0.6092370             -0.1245600        
  8      0.2968270              0.1171100        
  9      0.1372710              0.4230670        
 10      0.0621260              0.4736850        
P   10
  1    186.8620000             -0.0000680        
  2     12.3059000             -0.0314700        
  3      7.6935800              0.0979240        
  4      3.7795600              0.0812320        
  5      2.3232600             -0.2287880        
  6      1.1847300             -0.4007930        
  7      0.6092370             -0.1097740        
  8      0.2968270              0.4791740        
  9      0.1372710              0.5581190        
 10      0.0621260              0.1517420        
P   10
  1    186.8620000              0.0001220        
  2     12.3059000              0.0521280        
  3      7.6935800             -0.1624920        
  4      3.7795600             -0.2125080        
  5      2.3232600              0.6239090        
  6      1.1847300              0.7831600        
  7      0.6092370             -0.8575390        
  8      0.2968270             -0.9666410        
  9      0.1372710              0.7421150        
 10      0.0621260              0.4634940        
P   10
  1    186.8620000              0.0002540        
  2     12.3059000              0.0713490        
  3      7.6935800             -0.2177380        
  4      3.7795600             -0.7639570        
  5      2.3232600              2.4866360        
  6      1.1847300             -0.8314040        
  7      0.6092370             -2.1695430        
  8      0.2968270              2.2490950        
  9      0.1372710             -0.1275420        
 10      0.0621260             -0.7284670        
P   1
  1      0.0276060              1.0000000        
P   1
  1      0.0123000              1.0000000        
D   9
  1     80.6204000              0.0002370        
  2     22.1259000              0.0022370        
  3      7.9583400             -0.0176500        
  4      3.1956900              0.0788370        
  5      1.8113700              0.2317500        
  6      0.9713830              0.3192230        
  7      0.5017970              0.3020620        
  8      0.2490680              0.2104350        
  9      0.1179700              0.0966100        
D   9
  1     80.6204000             -0.0002760        
  2     22.1259000             -0.0023470        
  3      7.9583400              0.0190780        
  4      3.1956900             -0.0936260        
  5      1.8113700             -0.3085340        
  6      0.9713830             -0.3262390        
  7      0.5017970              0.0310980        
  8      0.2490680              0.4099490        
  9      0.1179700              0.4368930        
D   9
  1     80.6204000             -0.0004280        
  2     22.1259000             -0.0036360        
  3      7.9583400              0.0308490        
  4      3.1956900             -0.1829010        
  5      1.8113700             -0.6144640        
  6      0.9713830             -0.0158290        
  7      0.5017970              0.8110440        
  8      0.2490680              0.2541130        
  9      0.1179700             -0.5519210        
D   9
  1     80.6204000             -0.0002410        
  2     22.1259000             -0.0084470        
  3      7.9583400              0.0698380        
  4      3.1956900             -0.5173290        
  5      1.8113700             -0.7709280        
  6      0.9713830              1.4511960        
  7      0.5017970              0.1698730        
  8      0.2490680             -1.1898870        
  9      0.1179700              0.2468430        
D   1
  1      0.0519500              1.0000000        
D   1
  1      0.0229000              1.0000000        
F   1
  1      3.3131000              1.0000000        
F   1
  1      1.1058000              1.0000000        
F   1
  1      0.3691000              1.0000000        
F   1
  1      0.1335000              1.0000000        
G   1
  1      1.9565000              1.0000000        
G   1
  1      0.6740000              1.0000000        
G   1
  1      0.2836000              1.0000000        
H   1
  1      1.3436000              1.0000000        
H   1
  1      0.5929000              1.0000000


name: aug-cc-pVQZ-PP
description: VQZPD Valence Quadruple Zeta + Polarization on All Atoms
elt: Pd
data:
PALLADIUM
S   13
  1   7844.8900000              0.0000150        
  2   1169.5300000              0.0001070        
  3    259.6440000              0.0004120        
  4     39.2211000              0.0098640        
  5     24.4934000             -0.0719220        
  6     15.2969000              0.2128330        
  7      6.0389600             -0.4542200        
  8      3.7622800             -0.2996210        
  9      1.8071000              0.5046120        
 10      0.9743050              0.6622770        
 11      0.4972030              0.2406810        
 12      0.1620200              0.0126460        
 13      0.0714600             -0.0004720        
S   13
  1   7844.8900000             -0.0000050        
  2   1169.5300000             -0.0000330        
  3    259.6440000             -0.0001350        
  4     39.2211000             -0.0027160        
  5     24.4934000              0.0205170        
  6     15.2969000             -0.0636890        
  7      6.0389600              0.1551180        
  8      3.7622800              0.0800520        
  9      1.8071000             -0.1865700        
 10      0.9743050             -0.3054990        
 11      0.4972030             -0.1813090        
 12      0.1620200              0.3039740        
 13      0.0714600              0.6177640        
S   13
  1   7844.8900000             -0.0000100        
  2   1169.5300000             -0.0000840        
  3    259.6440000             -0.0002300        
  4     39.2211000             -0.0090740        
  5     24.4934000              0.0563390        
  6     15.2969000             -0.1563130        
  7      6.0389600              0.3943670        
  8      3.7622800              0.1184910        
  9      1.8071000             -0.3911140        
 10      0.9743050             -1.3967980        
 11      0.4972030              1.1011240        
 12      0.1620200              1.3128540        
 13      0.0714600             -0.6576300        
S   13
  1   7844.8900000              0.0000020        
  2   1169.5300000              0.0000150        
  3    259.6440000              0.0000580        
  4     39.2211000              0.0012900        
  5     24.4934000             -0.0092020        
  6     15.2969000              0.0283700        
  7      6.0389600             -0.0690030        
  8      3.7622800             -0.0717590        
  9      1.8071000              0.2549580        
 10      0.9743050              0.1451930        
 11      0.4972030             -0.4647570        
 12      0.1620200              0.2244370        
 13      0.0714600              0.1291750        
S   13
  1   7844.8900000             -0.0000150        
  2   1169.5300000             -0.0001090        
  3    259.6440000             -0.0004080        
  4     39.2211000             -0.0090780        
  5     24.4934000              0.0648030        
  6     15.2969000             -0.1999130        
  7      6.0389600              0.4866890        
  8      3.7622800              0.5061480        
  9      1.8071000             -1.8058520        
 10      0.9743050             -1.0058890        
 11      0.4972030              3.2670160        
 12      0.1620200             -1.5764190        
 13      0.0714600             -0.9382990        
S   1
  1      0.0313100              1.0000000        
S   1
  1      0.0137000              1.0000000        
P   10
  1     98.8243000              0.0003180        
  2     27.9859000             -0.0046710        
  3     17.4873000              0.0292410        
  4      6.7863800             -0.1992820        
  5      1.9878800              0.4101390        
  6      1.0657300              0.4471440        
  7      0.5838290              0.2362210        
  8      0.3146360              0.0624690        
  9      0.1357370              0.0060750        
 10      0.0602770             -0.0000850        
P   10
  1     98.8243000             -0.0000510        
  2     27.9859000              0.0006780        
  3     17.4873000             -0.0066790        
  4      6.7863800              0.0544150        
  5      1.9878800             -0.1382020        
  6      1.0657300             -0.1410000        
  7      0.5838290             -0.1010710        
  8      0.3146360              0.1265930        
  9      0.1357370              0.4211200        
 10      0.0602770              0.4722370        
P   10
  1     98.8243000             -0.0001660        
  2     27.9859000              0.0022660        
  3     17.4873000             -0.0161180        
  4      6.7863800              0.1219530        
  5      1.9878800             -0.3403790        
  6      1.0657300             -0.3281810        
  7      0.5838290             -0.0330520        
  8      0.3146360              0.5487950        
  9      0.1357370              0.5332220        
 10      0.0602770              0.0994340        
P   10
  1     98.8243000              0.0004190        
  2     27.9859000             -0.0058840        
  3     17.4873000              0.0317000        
  4      6.7863800             -0.2240400        
  5      1.9878800              0.8656960        
  6      1.0657300              0.3452800        
  7      0.5838290             -0.9931720        
  8      0.3146360             -0.6775520        
  9      0.1357370              0.7731840        
 10      0.0602770              0.3765310        
P   10
  1     98.8243000              0.0000090        
  2     27.9859000             -0.0013240        
  3     17.4873000              0.0372040        
  4      6.7863800             -0.3882460        
  5      1.9878800              2.6384130        
  6      1.0657300             -2.7457290        
  7      0.5838290             -0.6384020        
  8      0.3146360              1.9045610        
  9      0.1357370             -0.1954810        
 10      0.0602770             -0.6798620        
P   1
  1      0.0265400              1.0000000        
P   1
  1      0.0117000              1.0000000        
D   9
  1     78.3406000              0.0003190        
  2     21.0235000              0.0031690        
  3      7.5187300             -0.0301280        
  4      3.6893300              0.0820580        
  5      2.0193400              0.2405330        
  6      1.0717600              0.3254140        
  7      0.5516620              0.3009480        
  8      0.2739330              0.2050090        
  9      0.1301110              0.0921770        
D   9
  1     78.3406000             -0.0003900        
  2     21.0235000             -0.0033600        
  3      7.5187300              0.0334560        
  4      3.6893300             -0.0998880        
  5      2.0193400             -0.3344540        
  6      1.0717600             -0.3267360        
  7      0.5516620              0.0663700        
  8      0.2739330              0.4205140        
  9      0.1301110              0.4170070        
D   9
  1     78.3406000             -0.0005710        
  2     21.0235000             -0.0049650        
  3      7.5187300              0.0523140        
  4      3.6893300             -0.1757260        
  5      2.0193400             -0.6558300        
  6      1.0717600              0.0297190        
  7      0.5516620              0.8321610        
  8      0.2739330              0.1960240        
  9      0.1301110             -0.5651970        
D   9
  1     78.3406000             -0.0004130        
  2     21.0235000             -0.0116470        
  3      7.5187300              0.1255530        
  4      3.6893300             -0.5684920        
  5      2.0193400             -0.7972550        
  6      1.0717600              1.5702270        
  7      0.5516620              0.0164980        
  8      0.2739330             -1.1631360        
  9      0.1301110              0.3227120        
D   1
  1      0.0574730              1.0000000        
D   1
  1      0.0254000              1.0000000        
F   1
  1      3.7196000              1.0000000        
F   1
  1      1.2537000              1.0000000        
F   1
  1      0.4226000              1.0000000        
F   1
  1      0.1540000              1.0000000        
G   1
  1      2.2230000              1.0000000        
G   1
  1      0.7801000              1.0000000        
G   1
  1      0.3364000              1.0000000        
H   1
  1      1.5307000              1.0000000        
H   1
  1      0.6971000              1.0000000


