# all_value

name: cc-pVQZ-DK
description: VQZ3P 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        
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        
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        
F   1
  1      5.1588000              1.0000000        
F   1
  1      1.5344000              1.0000000        
F   1
  1      0.4564000              1.0000000        
G   1
  1      3.7476000              1.0000000        
G   1
  1      1.0505000              1.0000000        
H   1
  1      2.3448000              1.0000000        


name: cc-pVQZ-DK
description: VQZ3P 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        
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        
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        
F   1
  1      5.9410000              1.0000000        
F   1
  1      1.7850000              1.0000000        
F   1
  1      0.5363000              1.0000000        
G   1
  1      4.3870000              1.0000000        
G   1
  1      1.2510000              1.0000000        
H   1
  1      2.7485000              1.0000000        


name: cc-pVQZ-DK
description: VQZ3P 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        
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        
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        
F   1
  1      6.8303000              1.0000000        
F   1
  1      2.0748000              1.0000000        
F   1
  1      0.6302000              1.0000000        
G   1
  1      5.3315000              1.0000000        
G   1
  1      1.5215000              1.0000000        
H   1
  1      3.1948000              1.0000000        


name: cc-pVQZ-DK
description: VQZ3P 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        
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        
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        
F   1
  1      7.6837000              1.0000000        
F   1
  1      2.3657000              1.0000000        
F   1
  1      0.7284000              1.0000000        
G   1
  1      5.9423000              1.0000000        
G   1
  1      1.7494000              1.0000000        
H   1
  1      3.7293000              1.0000000        


name: cc-pVQZ-DK
description: VQZ3P 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        
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        
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        
F   1
  1      8.6408000              1.0000000        
F   1
  1      2.6947000              1.0000000        
F   1
  1      0.8403000              1.0000000        
G   1
  1      6.8215000              1.0000000        
G   1
  1      2.0378000              1.0000000        
H   1
  1      4.3396000              1.0000000        


name: cc-pVQZ-DK
description: VQZ3P 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        
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        
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        
F   1
  1      0.1810000              1.0000000        
F   1
  1      0.4710000              1.0000000        
G   1
  1      0.4032000              1.0000000        


name: cc-pVQZ-DK
description: VQZ3P 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        
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        
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        
F   1
  1      0.5492000              1.0000000        
F   1
  1      0.2190000              1.0000000        
G   1
  1      0.4681000              1.0000000        


name: cc-pVQZ-DK
description: VQZ3P 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        
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        
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        
F   1
  1      0.2640000              1.0000000        
F   1
  1      0.6440000              1.0000000        
G   1
  1      0.5465000              1.0000000        


name: cc-pVQZ-DK
description: VQZ3P 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        
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        
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        
F   1
  1      0.2840000              1.0000000        
F   1
  1      0.7097000              1.0000000        
G   1
  1      0.5730000              1.0000000        


name: cc-pVQZ-DK
description: VQZ3P 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        
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        
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        
F   1
  1      0.3407000              1.0000000        
F   1
  1      0.8257000              1.0000000        
G   1
  1      0.6491000              1.0000000        


name: cc-pVQZ-DK
description: VQZ3P 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        
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        
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        
F   1
  1      0.4130000              1.0000000        
F   1
  1      0.9557000              1.0000000        
G   1
  1      0.7395000              1.0000000        


name: cc-pVQZ-F12_OPTRI
description: CABS RI basis sets for F12 matched to cc-pVnZ-F12 orbital basis sets
elt: H
data:
HYDROGEN
S   1
  1      4.5036230              1.0000000        
S   1
  1      0.7095380              1.0000000        
S   1
  1      0.2728160              1.0000000        
P   1
  1      5.7379170              1.0000000        
P   1
  1      1.8673940              1.0000000        
P   1
  1      0.7057400              1.0000000        
D   1
  1      5.1560940              1.0000000        
D   1
  1      1.6726280              1.0000000        
D   1
  1      0.5278380              1.0000000        
F   1
  1      2.0776200              1.0000000        
F   1
  1      1.0394240              1.0000000        
G   1
  1      1.2607870              1.0000000        


name: cc-pVQZ-F12_OPTRI
description: CABS RI basis sets for F12 matched to cc-pVnZ-F12 orbital basis sets
elt: Li
data:
LITHIUM
S   1
  1      0.8451985              1.0000000        
S   1
  1      0.2488790              1.0000000        
S   1
  1      0.0646500              1.0000000        
S   1
  1      0.0301619              1.0000000        
P   1
  1      1.0857542              1.0000000        
P   1
  1      0.2297834              1.0000000        
P   1
  1      0.1095952              1.0000000        
P   1
  1      0.0443739              1.0000000        
D   1
  1      2.5069256              1.0000000        
D   1
  1      1.2189964              1.0000000        
D   1
  1      0.6375434              1.0000000        
D   1
  1      0.0694315              1.0000000        
F   1
  1      0.6821848              1.0000000        
F   1
  1      0.2698737              1.0000000        
F   1
  1      0.0543696              1.0000000        
G   1
  1      0.7895759              1.0000000        
G   1
  1      0.2548198              1.0000000        
H   1
  1      0.2146354              1.0000000        


name: cc-pVQZ-F12_OPTRI
description: CABS RI basis sets for F12 matched to cc-pVnZ-F12 orbital basis sets
elt: Be
data:
BERYLLIUM
S   1
  1      1.1538476              1.0000000        
S   1
  1      0.6789828              1.0000000        
S   1
  1      0.1464629              1.0000000        
S   1
  1      0.0759645              1.0000000        
P   1
  1      2.6789666              1.0000000        
P   1
  1      0.8663593              1.0000000        
P   1
  1      0.3320433              1.0000000        
P   1
  1      0.1371140              1.0000000        
D   1
  1      3.3831501              1.0000000        
D   1
  1      0.6313387              1.0000000        
D   1
  1      0.3584863              1.0000000        
D   1
  1      0.1529038              1.0000000        
F   1
  1      1.5661094              1.0000000        
F   1
  1      0.8580755              1.0000000        
F   1
  1      0.3125031              1.0000000        
G   1
  1      0.4468738              1.0000000        
G   1
  1      0.2180355              1.0000000        
H   1
  1      0.4737481              1.0000000        


name: cc-pVQZ-F12_OPTRI
description: CABS RI basis sets for F12 matched to cc-pVnZ-F12 orbital basis sets
elt: B
data:
BORON
S   1
  1      2.1105330              1.0000000        
S   1
  1      0.7420700              1.0000000        
S   1
  1      0.2667250              1.0000000        
S   1
  1      0.1103910              1.0000000        
P   1
  1      3.5058890              1.0000000        
P   1
  1      1.0799220              1.0000000        
P   1
  1      0.4429900              1.0000000        
P   1
  1      0.1889990              1.0000000        
D   1
  1      5.6166780              1.0000000        
D   1
  1      1.5613770              1.0000000        
D   1
  1      0.6389320              1.0000000        
D   1
  1      0.2331160              1.0000000        
F   1
  1      3.1584850              1.0000000        
F   1
  1      0.6454110              1.0000000        
F   1
  1      0.2440680              1.0000000        
G   1
  1      2.4757010              1.0000000        
G   1
  1      0.4977580              1.0000000        
H   1
  1      0.7913280              1.0000000        


name: cc-pVQZ-F12_OPTRI
description: CABS RI basis sets for F12 matched to cc-pVnZ-F12 orbital basis sets
elt: C
data:
CARBON
S   1
  1      2.6044130              1.0000000        
S   1
  1      1.0136440              1.0000000        
S   1
  1      0.3934150              1.0000000        
S   1
  1      0.1529870              1.0000000        
P   1
  1      4.2465330              1.0000000        
P   1
  1      1.8215290              1.0000000        
P   1
  1      0.7093800              1.0000000        
P   1
  1      0.2916430              1.0000000        
D   1
  1     12.1049290              1.0000000        
D   1
  1      2.1321890              1.0000000        
D   1
  1      0.8173330              1.0000000        
D   1
  1      0.3135240              1.0000000        
F   1
  1      3.4645270              1.0000000        
F   1
  1      0.9617580              1.0000000        
F   1
  1      0.3947360              1.0000000        
G   1
  1      2.8334410              1.0000000        
G   1
  1      0.7872860              1.0000000        
H   1
  1      1.2280910              1.0000000        


name: cc-pVQZ-F12_OPTRI
description: CABS RI basis sets for F12 matched to cc-pVnZ-F12 orbital basis sets
elt: N
data:
NITROGEN
S   1
  1      3.3139220              1.0000000        
S   1
  1      1.4661220              1.0000000        
S   1
  1      0.5297940              1.0000000        
S   1
  1      0.2117240              1.0000000        
P   1
  1      5.9904360              1.0000000        
P   1
  1      2.5058920              1.0000000        
P   1
  1      1.0027720              1.0000000        
P   1
  1      0.4035580              1.0000000        
D   1
  1     19.0372110              1.0000000        
D   1
  1      3.3077660              1.0000000        
D   1
  1      1.4401950              1.0000000        
D   1
  1      0.4498040              1.0000000        
F   1
  1      6.0179280              1.0000000        
F   1
  1      1.4729140              1.0000000        
F   1
  1      0.5958440              1.0000000        
G   1
  1      2.9062130              1.0000000        
G   1
  1      0.9342280              1.0000000        
H   1
  1      1.6475850              1.0000000        


name: cc-pVQZ-F12_OPTRI
description: CABS RI basis sets for F12 matched to cc-pVnZ-F12 orbital basis sets
elt: O
data:
OXYGEN
S   1
  1      4.1702850              1.0000000        
S   1
  1      1.8167550              1.0000000        
S   1
  1      0.6910500              1.0000000        
S   1
  1      0.2789730              1.0000000        
P   1
  1      8.0171350              1.0000000        
P   1
  1      3.5322650              1.0000000        
P   1
  1      1.3606270              1.0000000        
P   1
  1      0.5050090              1.0000000        
D   1
  1     37.7626240              1.0000000        
D   1
  1      4.7962490              1.0000000        
D   1
  1      1.5681060              1.0000000        
D   1
  1      0.5712930              1.0000000        
F   1
  1      9.1702390              1.0000000        
F   1
  1      1.9271970              1.0000000        
F   1
  1      0.7989380              1.0000000        
G   1
  1      3.4045330              1.0000000        
G   1
  1      1.0657570              1.0000000        
H   1
  1      2.1440060              1.0000000        


name: cc-pVQZ-F12_OPTRI
description: CABS RI basis sets for F12 matched to cc-pVnZ-F12 orbital basis sets
elt: F
data:
FLUORINE
S   1
  1      5.3056940              1.0000000        
S   1
  1      2.3637430              1.0000000        
S   1
  1      1.0742330              1.0000000        
S   1
  1      0.7925780              1.0000000        
P   1
  1     12.0196740              1.0000000        
P   1
  1      4.3287310              1.0000000        
P   1
  1      1.6621160              1.0000000        
P   1
  1      0.6261470              1.0000000        
D   1
  1     49.1089160              1.0000000        
D   1
  1      6.1698000              1.0000000        
D   1
  1      2.1530950              1.0000000        
D   1
  1      0.6374730              1.0000000        
F   1
  1     12.1619320              1.0000000        
F   1
  1      2.6304930              1.0000000        
F   1
  1      0.9778970              1.0000000        
G   1
  1      4.4554500              1.0000000        
G   1
  1      1.4145240              1.0000000        
H   1
  1      2.8076760              1.0000000        


name: cc-pVQZ-F12_OPTRI
description: CABS RI basis sets for F12 matched to cc-pVnZ-F12 orbital basis sets
elt: Ne
data:
NEON
S   1
  1      7.3610750              1.0000000        
S   1
  1      2.7051910              1.0000000        
S   1
  1      1.1862450              1.0000000        
S   1
  1      0.4304540              1.0000000        
P   1
  1     15.9188030              1.0000000        
P   1
  1      5.4169100              1.0000000        
P   1
  1      1.9905300              1.0000000        
P   1
  1      0.7848810              1.0000000        
D   1
  1     60.0312080              1.0000000        
D   1
  1      7.9633550              1.0000000        
D   1
  1      2.6879220              1.0000000        
D   1
  1      0.8258700              1.0000000        
F   1
  1     20.7009180              1.0000000        
F   1
  1      4.1220730              1.0000000        
F   1
  1      1.5224920              1.0000000        
G   1
  1     10.7594470              1.0000000        
G   1
  1      2.1651370              1.0000000        
H   1
  1      3.4504930              1.0000000        


name: cc-pVQZ-F12_OPTRI
description: CABS RI basis sets for F12 matched to cc-pVnZ-F12 orbital basis sets
elt: Na
data:
SODIUM
S   1
  1      0.9707935              1.0000000        
S   1
  1      0.2642263              1.0000000        
S   1
  1      0.0545049              1.0000000        
S   1
  1      0.0260137              1.0000000        
P   1
  1      0.9788400              1.0000000        
P   1
  1      0.4001723              1.0000000        
P   1
  1      0.1745833              1.0000000        
P   1
  1      0.0771366              1.0000000        
D   1
  1      6.8189293              1.0000000        
D   1
  1      1.1646110              1.0000000        
D   1
  1      0.7472029              1.0000000        
D   1
  1      0.1779187              1.0000000        
F   1
  1      0.7656361              1.0000000        
F   1
  1      0.2363150              1.0000000        
F   1
  1      0.1406358              1.0000000        
G   1
  1      0.2680699              1.0000000        
G   1
  1      0.2056775              1.0000000        
H   1
  1      0.0919160              1.0000000        


name: cc-pVQZ-F12_OPTRI
description: CABS RI basis sets for F12 matched to cc-pVnZ-F12 orbital basis sets
elt: Mg
data:
MAGNESIUM
S   1
  1      1.3130881              1.0000000        
S   1
  1      0.2607942              1.0000000        
S   1
  1      0.1002906              1.0000000        
S   1
  1      0.0487505              1.0000000        
P   1
  1      1.0245929              1.0000000        
P   1
  1      0.2322582              1.0000000        
P   1
  1      0.1218831              1.0000000        
P   1
  1      0.0629715              1.0000000        
D   1
  1      3.9988663              1.0000000        
D   1
  1      1.1973808              1.0000000        
D   1
  1      0.2727999              1.0000000        
D   1
  1      0.1527236              1.0000000        
F   1
  1      1.6372414              1.0000000        
F   1
  1      0.6931314              1.0000000        
F   1
  1      0.2326890              1.0000000        
G   1
  1      0.6677045              1.0000000        
G   1
  1      0.5124749              1.0000000        
H   1
  1      0.1189690              1.0000000        


name: cc-pVQZ-F12_OPTRI
description: CABS RI basis sets for F12 matched to cc-pVnZ-F12 orbital basis sets
elt: Al
data:
ALUMINUM
S   1
  1      1.5831250              1.0000000        
S   1
  1      0.3647150              1.0000000        
S   1
  1      0.1640640              1.0000000        
S   1
  1      0.0731770              1.0000000        
P   1
  1      3.7438100              1.0000000        
P   1
  1      1.0978820              1.0000000        
P   1
  1      0.3877210              1.0000000        
P   1
  1      0.1462580              1.0000000        
D   1
  1      7.8212630              1.0000000        
D   1
  1      2.2148500              1.0000000        
D   1
  1      0.9161890              1.0000000        
D   1
  1      0.4006400              1.0000000        
F   1
  1      1.8328190              1.0000000        
F   1
  1      0.4317420              1.0000000        
F   1
  1      0.1860860              1.0000000        
G   1
  1      0.5636260              1.0000000        
G   1
  1      0.2514080              1.0000000        
H   1
  1      0.4259410              1.0000000        


name: cc-pVQZ-F12_OPTRI
description: CABS RI basis sets for F12 matched to cc-pVnZ-F12 orbital basis sets
elt: Si
data:
SILICON
S   1
  1      2.1372760              1.0000000        
S   1
  1      0.6118550              1.0000000        
S   1
  1      0.2255760              1.0000000        
S   1
  1      0.0981240              1.0000000        
P   1
  1      6.1969090              1.0000000        
P   1
  1      1.3561980              1.0000000        
P   1
  1      0.5398480              1.0000000        
P   1
  1      0.2069780              1.0000000        
D   1
  1     12.8590800              1.0000000        
D   1
  1      3.1943340              1.0000000        
D   1
  1      1.1895930              1.0000000        
D   1
  1      0.4653410              1.0000000        
F   1
  1      4.1687840              1.0000000        
F   1
  1      0.7897380              1.0000000        
F   1
  1      0.2459470              1.0000000        
G   1
  1      0.8182670              1.0000000        
G   1
  1      0.3652660              1.0000000        
H   1
  1      0.5748240              1.0000000        


name: cc-pVQZ-F12_OPTRI
description: CABS RI basis sets for F12 matched to cc-pVnZ-F12 orbital basis sets
elt: P
data:
PHOSPHOROUS
S   1
  1      2.6534790              1.0000000        
S   1
  1      0.7265990              1.0000000        
S   1
  1      0.2912100              1.0000000        
S   1
  1      0.1265670              1.0000000        
P   1
  1      7.9649920              1.0000000        
P   1
  1      1.5394090              1.0000000        
P   1
  1      0.6456720              1.0000000        
P   1
  1      0.2648590              1.0000000        
D   1
  1     37.5488020              1.0000000        
D   1
  1      4.1936140              1.0000000        
D   1
  1      1.6822260              1.0000000        
D   1
  1      0.6245790              1.0000000        
F   1
  1      8.4731510              1.0000000        
F   1
  1      0.9963360              1.0000000        
F   1
  1      0.3054280              1.0000000        
G   1
  1      0.9593250              1.0000000        
G   1
  1      0.4289660              1.0000000        
H   1
  1      0.7461110              1.0000000        


name: cc-pVQZ-F12_OPTRI
description: CABS RI basis sets for F12 matched to cc-pVnZ-F12 orbital basis sets
elt: S
data:
SULFUR
S   1
  1      3.0754480              1.0000000        
S   1
  1      0.8160570              1.0000000        
S   1
  1      0.3626530              1.0000000        
S   1
  1      0.1551700              1.0000000        
P   1
  1     21.4374970              1.0000000        
P   1
  1      1.6650200              1.0000000        
P   1
  1      0.7309130              1.0000000        
P   1
  1      0.3119590              1.0000000        
D   1
  1     46.8738850              1.0000000        
D   1
  1      7.2576490              1.0000000        
D   1
  1      2.0552010              1.0000000        
D   1
  1      0.7638430              1.0000000        
F   1
  1     12.7589420              1.0000000        
F   1
  1      1.3950060              1.0000000        
F   1
  1      0.4100400              1.0000000        
G   1
  1      1.1580280              1.0000000        
G   1
  1      0.5190310              1.0000000        
H   1
  1      0.9044160              1.0000000        


name: cc-pVQZ-F12_OPTRI
description: CABS RI basis sets for F12 matched to cc-pVnZ-F12 orbital basis sets
elt: Cl
data:
CHLORINE
S   1
  1      3.6457060              1.0000000        
S   1
  1      0.9898040              1.0000000        
S   1
  1      0.4389440              1.0000000        
S   1
  1      0.1894230              1.0000000        
P   1
  1     20.8097850              1.0000000        
P   1
  1      1.9213790              1.0000000        
P   1
  1      0.8494330              1.0000000        
P   1
  1      0.3546840              1.0000000        
D   1
  1     66.0174190              1.0000000        
D   1
  1      6.4342110              1.0000000        
D   1
  1      2.4000630              1.0000000        
D   1
  1      0.8895510              1.0000000        
F   1
  1     13.9596550              1.0000000        
F   1
  1      1.6211210              1.0000000        
F   1
  1      0.4755200              1.0000000        
G   1
  1      1.3151680              1.0000000        
G   1
  1      0.5920030              1.0000000        
H   1
  1      1.0828430              1.0000000        


name: cc-pVQZ-F12_OPTRI
description: CABS RI basis sets for F12 matched to cc-pVnZ-F12 orbital basis sets
elt: Ar
data:
ARGON
S   1
  1      4.2449090              1.0000000        
S   1
  1      1.1640610              1.0000000        
S   1
  1      0.5202960              1.0000000        
S   1
  1      0.2234450              1.0000000        
P   1
  1     20.2510490              1.0000000        
P   1
  1      2.2142550              1.0000000        
P   1
  1      0.9791800              1.0000000        
P   1
  1      0.4371150              1.0000000        
D   1
  1     88.0208220              1.0000000        
D   1
  1      8.0383820              1.0000000        
D   1
  1      3.1563260              1.0000000        
D   1
  1      1.0702530              1.0000000        
F   1
  1     15.5953400              1.0000000        
F   1
  1      2.0335940              1.0000000        
F   1
  1      0.5825760              1.0000000        
G   1
  1      1.9845950              1.0000000        
G   1
  1      0.7534450              1.0000000        
H   1
  1      1.2565380              1.0000000        


name: cc-pVQZ-NR MP2 Fitting
description: MP2 auxiliary basis for use with 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        
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        
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        
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        
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        
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        
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        
K   1
  1      1.8807300              1.0000000        
K   1
  1      0.7995290              1.0000000        


name: cc-pVQZ-NR MP2 Fitting
description: MP2 auxiliary basis for use with 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        
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        
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        
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        
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        
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        
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        
K   1
  1      2.4941100              1.0000000        
K   1
  1      1.2426500              1.0000000        


name: cc-pVQZ-NR MP2 Fitting
description: MP2 auxiliary basis for use with 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        
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        
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        
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        
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        
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        
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        
K   1
  1      3.7783200              1.0000000        
K   1
  1      1.9297600              1.0000000        


name: cc-pVQZ-NR MP2 Fitting
description: MP2 auxiliary basis for use with 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        
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        
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        
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        
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        
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        
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        
K   1
  1      4.4406500              1.0000000        
K   1
  1      2.3385700              1.0000000        


name: cc-pVQZ-NR MP2 Fitting
description: MP2 auxiliary basis for use with 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        
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        
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        
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        
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        
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        
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        
K   1
  1      5.3992600              1.0000000        
K   1
  1      2.8078600              1.0000000        


name: cc-pVQZ-NR MP2 Fitting
description: MP2 auxiliary basis for use with 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        
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        
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        
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        
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        
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        
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        
K   1
  1      6.7531700              1.0000000        
K   1
  1      3.3813800              1.0000000        


name: cc-pVQZ-NR MP2 Fitting
description: MP2 auxiliary basis for use with 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        
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        
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        
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        
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        
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        
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        
K   1
  1      7.3629900              1.0000000        
K   1
  1      3.8694200              1.0000000        


name: cc-pVQZ-NR MP2 Fitting
description: MP2 auxiliary basis for use with 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        
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        
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        
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        
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        
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        
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        
K   1
  1      8.9814200              1.0000000        
K   1
  1      4.6964300              1.0000000        


name: cc-pVQZ-NR MP2 Fitting
description: MP2 auxiliary basis for use with 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        
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        
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        
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        
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      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        
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        
K   1
  1     10.0605000              1.0000000        
K   1
  1      5.2891500              1.0000000        


name: cc-pVQZ-NR MP2 Fitting
description: MP2 auxiliary basis for use with 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        
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        
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        
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        
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        
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        
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        
K   1
  1     11.0222000              1.0000000        
K   1
  1      6.0700300              1.0000000        


name: cc-pVQZ-PP
description: N/A
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        
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        
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        
F   1
  1      0.9135000              1.0000000        
F   1
  1      0.2836000              1.0000000        
F   1
  1      0.0880000              1.0000000        
G   1
  1      0.5819000              1.0000000        
G   1
  1      0.1735000              1.0000000        
H   1
  1      0.3395000              1.0000000        


name: cc-pVQZ-PP
description: N/A
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        
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        
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        
F   1
  1      1.3601000              1.0000000        
F   1
  1      0.4291000              1.0000000        
F   1
  1      0.1354000              1.0000000        
G   1
  1      0.8169000              1.0000000        
G   1
  1      0.2490000              1.0000000        
H   1
  1      0.5010000              1.0000000        


name: cc-pVQZ-PP
description: N/A
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        
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        
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        
F   1
  1      1.8010000              1.0000000        
F   1
  1      0.5748000              1.0000000        
F   1
  1      0.1835000              1.0000000        
G   1
  1      1.0578000              1.0000000        
G   1
  1      0.3318000              1.0000000        
H   1
  1      0.6732000              1.0000000        


name: cc-pVQZ-PP
description: N/A
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        
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        
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        
F   1
  1      2.1810000              1.0000000        
F   1
  1      0.7026000              1.0000000        
F   1
  1      0.2263000              1.0000000        
G   1
  1      1.2568000              1.0000000        
G   1
  1      0.4007000              1.0000000        
H   1
  1      0.8384000              1.0000000        


name: cc-pVQZ-PP
description: N/A
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        
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        
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        
F   1
  1      2.5389000              1.0000000        
F   1
  1      0.8280000              1.0000000        
F   1
  1      0.2700000              1.0000000        
G   1
  1      1.4683000              1.0000000        
G   1
  1      0.4823000              1.0000000        
H   1
  1      0.9932000              1.0000000        


name: cc-pVQZ-PP
description: N/A
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        
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        
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        
F   1
  1      2.8980000              1.0000000        
F   1
  1      0.9588000              1.0000000        
F   1
  1      0.3172000              1.0000000        
G   1
  1      1.7100000              1.0000000        
G   1
  1      0.5778000              1.0000000        
H   1
  1      1.1646000              1.0000000        


name: cc-pVQZ-PP
description: N/A
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        
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        
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        
F   1
  1      3.3131000              1.0000000        
F   1
  1      1.1058000              1.0000000        
F   1
  1      0.3691000              1.0000000        
G   1
  1      1.9565000              1.0000000        
G   1
  1      0.6740000              1.0000000        
H   1
  1      1.3436000              1.0000000        


name: cc-pVQZ-PP
description: N/A
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        
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        
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        
F   1
  1      3.7196000              1.0000000        
F   1
  1      1.2537000              1.0000000        
F   1
  1      0.4226000              1.0000000        
G   1
  1      2.2230000              1.0000000        
G   1
  1      0.7801000              1.0000000        
H   1
  1      1.5307000              1.0000000        


name: cc-pVQZ-PP MP2 Fitting
description: MP2 auxiliary basis set for use with 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        
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        
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        
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        
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        
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        
I   1
  1      1.1786463              1.0000000        
I   1
  1      0.6184778              1.0000000        
I   1
  1      0.3183335              1.0000000        
K   1
  1      7.4550450              1.0000000        
K   1
  1      0.5848477              1.0000000        


name: cc-pVQZ-PP MP2 Fitting
description: MP2 auxiliary basis set for use with 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        
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        
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        
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        
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        
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        
I   1
  1      1.5721324              1.0000000        
I   1
  1      0.9441409              1.0000000        
I   1
  1      0.4314848              1.0000000        
K   1
  1      1.5079372              1.0000000        
K   1
  1      0.7513930              1.0000000        


name: cc-pVQZ-PP MP2 Fitting
description: MP2 auxiliary basis set for use with 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        
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        
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        
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        
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        
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        
I   1
  1      1.8895514              1.0000000        
I   1
  1      1.0983593              1.0000000        
I   1
  1      0.5296491              1.0000000        
K   1
  1      1.6923779              1.0000000        
K   1
  1      0.9380603              1.0000000        


name: cc-pVQZ-PP MP2 Fitting
description: MP2 auxiliary basis set for use with 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        
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        
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        
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        
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        
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        
I   1
  1      2.2206510              1.0000000        
I   1
  1      1.2706246              1.0000000        
I   1
  1      0.6371235              1.0000000        
K   1
  1      2.5780947              1.0000000        
K   1
  1      1.2334672              1.0000000        


name: cc-pVQZ-PP MP2 Fitting
description: MP2 auxiliary basis set for use with 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        
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        
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        
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        
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        
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        
I   1
  1      2.6140507              1.0000000        
I   1
  1      1.5606219              1.0000000        
I   1
  1      0.7678795              1.0000000        
K   1
  1      2.5782449              1.0000000        
K   1
  1      1.4088735              1.0000000        


name: cc-pVQZ-PP MP2 Fitting
description: MP2 auxiliary basis set for use with cc-pVQZ-PP AO basis set
elt: Ru
data:
RUTHENIUM
S   1
  1     13.901489804            1.0000000        
S   1
  1      8.9198946954           1.0000000        
S   1
  1      4.7366122337           1.0000000        
S   1
  1      2.8470330623           1.0000000        
S   1
  1      1.9352483079           1.0000000        
S   1
  1      1.0218859653           1.0000000        
S   1
  1      0.50707088564          1.0000000        
S   1
  1      0.30008262746          1.0000000        
S   1
  1      0.13557757342          1.0000000        
S   1
  1      0.58351090945E-01            1.0000000        
S   1
  1      0.26412195165E-01            1.0000000        
P   1
  1     10.655680743            1.0000000        
P   1
  1      5.3174421632           1.0000000        
P   1
  1      3.7497062742           1.0000000        
P   1
  1      2.7534920688           1.0000000        
P   1
  1      1.4462080643           1.0000000        
P   1
  1      0.91478031093          1.0000000        
P   1
  1      0.42506356722          1.0000000        
P   1
  1      0.22288907198          1.0000000        
P   1
  1      0.10284756432          1.0000000        
P   1
  1      0.50116558829E-01            1.0000000        
P   1
  1      0.25131146366E-01            1.0000000        
D   1
  1     12.691924622            1.0000000        
D   1
  1      5.6860447623           1.0000000        
D   1
  1      3.4483512245           1.0000000        
D   1
  1      2.7641237745           1.0000000        
D   1
  1      1.6678101472           1.0000000        
D   1
  1      0.76223154054          1.0000000        
D   1
  1      0.49568578213          1.0000000        
D   1
  1      0.23930606250          1.0000000        
D   1
  1      0.11150566719          1.0000000        
D   1
  1      0.52053915962E-01            1.0000000        
F   1
  1      8.5355180874           1.0000000        
F   1
  1      4.5283633447           1.0000000        
F   1
  1      2.8724047815           1.0000000        
F   1
  1      1.5706981060           1.0000000        
F   1
  1      0.93408573515          1.0000000        
F   1
  1      0.44037126622          1.0000000        
F   1
  1      0.23225044950          1.0000000        
F   1
  1      0.13283384448          1.0000000        
G   1
  1     11.257988671            1.0000000        
G   1
  1      3.8765212202           1.0000000        
G   1
  1      2.0262533556           1.0000000        
G   1
  1      1.1583095021           1.0000000        
G   1
  1      0.61478691331          1.0000000        
G   1
  1      0.27933401185          1.0000000        
G   1
  1      0.12931015766          1.0000000        
H   1
  1      4.9042005425           1.0000000        
H   1
  1      3.3416266721           1.0000000        
H   1
  1      1.9024119146           1.0000000        
H   1
  1      1.1955975819           1.0000000        
H   1
  1      0.54850998697          1.0000000        
I   1
  1      3.0425432057           1.0000000        
I   1
  1      1.9140973911           1.0000000        
I   1
  1      0.90970184029          1.0000000        
K   1
  1      3.0409581467           1.0000000        
K   1
  1      1.6495543707           1.0000000        


name: cc-pVQZ-PP MP2 Fitting
description: MP2 auxiliary basis set for use with 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        
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        
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        
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        
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        
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        
I   1
  1      3.4608878              1.0000000        
I   1
  1      2.1965973              1.0000000        
I   1
  1      1.0665205              1.0000000        
K   1
  1      3.6819634              1.0000000        
K   1
  1      1.9460227              1.0000000        


name: cc-pVQZ-PP MP2 Fitting
description: MP2 auxiliary basis set for use with 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        
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        
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        
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        
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        
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        
I   1
  1      3.8892699              1.0000000        
I   1
  1      2.5196059              1.0000000        
I   1
  1      1.2210462              1.0000000        
K   1
  1      4.2564871              1.0000000        
K   1
  1      2.2224895              1.0000000        


name: cc-pVQZ-PP MP2 Fitting
description: MP2 auxiliary basis set for use with cc-pVQZ-PP AO basis set
elt: Hf
data:
HAFNIUM
S   1
  1      6.8775200              1.0000000        
S   1
  1      3.9801300              1.0000000        
S   1
  1      2.4979200              1.0000000        
S   1
  1      1.2736300              1.0000000        
S   1
  1      0.6531630              1.0000000        
S   1
  1      0.3723770              1.0000000        
S   1
  1      0.1750080              1.0000000        
S   1
  1      0.0933870              1.0000000        
S   1
  1      0.0685350              1.0000000        
S   1
  1      0.0233790              1.0000000        
S   1
  1      0.0090100              1.0000000        
P   1
  1      6.0479900              1.0000000        
P   1
  1      2.9973000              1.0000000        
P   1
  1      1.7290700              1.0000000        
P   1
  1      0.7850240              1.0000000        
P   1
  1      0.5135350              1.0000000        
P   1
  1      0.3125720              1.0000000        
P   1
  1      0.1595200              1.0000000        
P   1
  1      0.0878700              1.0000000        
P   1
  1      0.0611230              1.0000000        
P   1
  1      0.0347020              1.0000000        
P   1
  1      0.0090210              1.0000000        
D   1
  1      5.7765700              1.0000000        
D   1
  1      3.7070400              1.0000000        
D   1
  1      1.9792500              1.0000000        
D   1
  1      0.8973870              1.0000000        
D   1
  1      0.6051140              1.0000000        
D   1
  1      0.2643160              1.0000000        
D   1
  1      0.1708760              1.0000000        
D   1
  1      0.1004430              1.0000000        
D   1
  1      0.0566170              1.0000000        
D   1
  1      0.0265740              1.0000000        
F   1
  1      3.9358700              1.0000000        
F   1
  1      2.1764600              1.0000000        
F   1
  1      1.0212300              1.0000000        
F   1
  1      0.5428360              1.0000000        
F   1
  1      0.3526950              1.0000000        
F   1
  1      0.1669070              1.0000000        
F   1
  1      0.0876850              1.0000000        
F   1
  1      0.0509720              1.0000000        
G   1
  1      4.3852900              1.0000000        
G   1
  1      2.0265600              1.0000000        
G   1
  1      0.9935900              1.0000000        
G   1
  1      0.5393300              1.0000000        
G   1
  1      0.2861310              1.0000000        
G   1
  1      0.1347220              1.0000000        
G   1
  1      0.0696310              1.0000000        
H   1
  1      2.7504400              1.0000000        
H   1
  1      1.3925100              1.0000000        
H   1
  1      0.6762990              1.0000000        
H   1
  1      0.4263670              1.0000000        
H   1
  1      0.1959610              1.0000000        
I   1
  1      1.3219600              1.0000000        
I   1
  1      0.7699220              1.0000000        
I   1
  1      0.3585180              1.0000000        
K   1
  1      1.1430620              1.0000000        
K   1
  1      0.6052640              1.0000000        


name: cc-pVQZ-PP MP2 Fitting
description: MP2 auxiliary basis set for use with cc-pVQZ-PP AO basis set
elt: Ta
data:
TANTALUM
S   1
  1      7.1949400              1.0000000        
S   1
  1      4.2082800              1.0000000        
S   1
  1      2.6071500              1.0000000        
S   1
  1      1.4363700              1.0000000        
S   1
  1      0.7964250              1.0000000        
S   1
  1      0.4965330              1.0000000        
S   1
  1      0.2091970              1.0000000        
S   1
  1      0.1175200              1.0000000        
S   1
  1      0.0802690              1.0000000        
S   1
  1      0.0253530              1.0000000        
S   1
  1      0.0095460              1.0000000        
P   1
  1      6.3142100              1.0000000        
P   1
  1      3.1642600              1.0000000        
P   1
  1      1.9569900              1.0000000        
P   1
  1      0.9236010              1.0000000        
P   1
  1      0.6177770              1.0000000        
P   1
  1      0.3739990              1.0000000        
P   1
  1      0.1916990              1.0000000        
P   1
  1      0.0925330              1.0000000        
P   1
  1      0.0675790              1.0000000        
P   1
  1      0.0386070              1.0000000        
P   1
  1      0.0096170              1.0000000        
D   1
  1      6.3795600              1.0000000        
D   1
  1      3.9881600              1.0000000        
D   1
  1      2.0979400              1.0000000        
D   1
  1      1.0075900              1.0000000        
D   1
  1      0.6980900              1.0000000        
D   1
  1      0.3078640              1.0000000        
D   1
  1      0.1810690              1.0000000        
D   1
  1      0.1002460              1.0000000        
D   1
  1      0.0592490              1.0000000        
D   1
  1      0.0304930              1.0000000        
F   1
  1      4.1360500              1.0000000        
F   1
  1      2.4146400              1.0000000        
F   1
  1      1.1598800              1.0000000        
F   1
  1      0.6205620              1.0000000        
F   1
  1      0.3873900              1.0000000        
F   1
  1      0.2108370              1.0000000        
F   1
  1      0.0956960              1.0000000        
F   1
  1      0.0565040              1.0000000        
G   1
  1      4.6942500              1.0000000        
G   1
  1      2.1983200              1.0000000        
G   1
  1      1.1705200              1.0000000        
G   1
  1      0.6064010              1.0000000        
G   1
  1      0.3513420              1.0000000        
G   1
  1      0.1679610              1.0000000        
G   1
  1      0.0851200              1.0000000        
H   1
  1      3.1992800              1.0000000        
H   1
  1      1.6548400              1.0000000        
H   1
  1      0.8239850              1.0000000        
H   1
  1      0.5177610              1.0000000        
H   1
  1      0.2519890              1.0000000        
I   1
  1      1.5619200              1.0000000        
I   1
  1      0.8263030              1.0000000        
I   1
  1      0.4517990              1.0000000        
K   1
  1      1.4281980              1.0000000        
K   1
  1      0.7836140              1.0000000        


name: cc-pVQZ-PP MP2 Fitting
description: MP2 auxiliary basis set for use with cc-pVQZ-PP AO basis set
elt: W
data:
TUNGSTEN
S   1
  1      7.5864300              1.0000000        
S   1
  1      4.6105900              1.0000000        
S   1
  1      2.9071900              1.0000000        
S   1
  1      1.6385500              1.0000000        
S   1
  1      0.9016030              1.0000000        
S   1
  1      0.6003060              1.0000000        
S   1
  1      0.2797260              1.0000000        
S   1
  1      0.1423020              1.0000000        
S   1
  1      0.0956410              1.0000000        
S   1
  1      0.0317920              1.0000000        
S   1
  1      0.0105980              1.0000000        
P   1
  1      6.6403700              1.0000000        
P   1
  1      3.3548000              1.0000000        
P   1
  1      2.0872000              1.0000000        
P   1
  1      1.0528200              1.0000000        
P   1
  1      0.6844660              1.0000000        
P   1
  1      0.4201670              1.0000000        
P   1
  1      0.2231300              1.0000000        
P   1
  1      0.1116230              1.0000000        
P   1
  1      0.0773760              1.0000000        
P   1
  1      0.0435820              1.0000000        
P   1
  1      0.0106160              1.0000000        
D   1
  1      6.8429800              1.0000000        
D   1
  1      4.2354100              1.0000000        
D   1
  1      2.2735700              1.0000000        
D   1
  1      1.2571300              1.0000000        
D   1
  1      0.7836960              1.0000000        
D   1
  1      0.3850310              1.0000000        
D   1
  1      0.2171000              1.0000000        
D   1
  1      0.1071500              1.0000000        
D   1
  1      0.0679400              1.0000000        
D   1
  1      0.0377320              1.0000000        
F   1
  1      4.3023800              1.0000000        
F   1
  1      2.5904200              1.0000000        
F   1
  1      1.4272000              1.0000000        
F   1
  1      0.7248410              1.0000000        
F   1
  1      0.4953760              1.0000000        
F   1
  1      0.2598460              1.0000000        
F   1
  1      0.1168510              1.0000000        
F   1
  1      0.0741480              1.0000000        
G   1
  1      5.2503600              1.0000000        
G   1
  1      2.4811500              1.0000000        
G   1
  1      1.3775900              1.0000000        
G   1
  1      0.7073170              1.0000000        
G   1
  1      0.4220470              1.0000000        
G   1
  1      0.1977270              1.0000000        
G   1
  1      0.1004480              1.0000000        
H   1
  1      3.4989300              1.0000000        
H   1
  1      1.8995100              1.0000000        
H   1
  1      0.9476970              1.0000000        
H   1
  1      0.6103620              1.0000000        
H   1
  1      0.3043570              1.0000000        
I   1
  1      1.8375800              1.0000000        
I   1
  1      0.9936910              1.0000000        
I   1
  1      0.5480220              1.0000000        
K   1
  1      1.6448150              1.0000000        
K   1
  1      0.9503860              1.0000000        


name: cc-pVQZ-PP MP2 Fitting
description: MP2 auxiliary basis set for use with cc-pVQZ-PP AO basis set
elt: Re
data:
RHENIUM
S   1
  1      7.9864300              1.0000000        
S   1
  1      4.9998900              1.0000000        
S   1
  1      3.1905000              1.0000000        
S   1
  1      1.9459100              1.0000000        
S   1
  1      1.0535400              1.0000000        
S   1
  1      0.6335660              1.0000000        
S   1
  1      0.4683800              1.0000000        
S   1
  1      0.2194800              1.0000000        
S   1
  1      0.1272630              1.0000000        
S   1
  1      0.0523390              1.0000000        
S   1
  1      0.0146500              1.0000000        
P   1
  1      6.8027800              1.0000000        
P   1
  1      3.3928100              1.0000000        
P   1
  1      2.1717900              1.0000000        
P   1
  1      1.2186000              1.0000000        
P   1
  1      0.7761000              1.0000000        
P   1
  1      0.4788550              1.0000000        
P   1
  1      0.2716480              1.0000000        
P   1
  1      0.1192490              1.0000000        
P   1
  1      0.0774840              1.0000000        
P   1
  1      0.0481890              1.0000000        
P   1
  1      0.0138680              1.0000000        
D   1
  1      7.2542900              1.0000000        
D   1
  1      4.4275100              1.0000000        
D   1
  1      2.4870700              1.0000000        
D   1
  1      1.4661200              1.0000000        
D   1
  1      0.8328430              1.0000000        
D   1
  1      0.4598650              1.0000000        
D   1
  1      0.2651160              1.0000000        
D   1
  1      0.1436060              1.0000000        
D   1
  1      0.0875160              1.0000000        
D   1
  1      0.0452590              1.0000000        
F   1
  1      4.4179400              1.0000000        
F   1
  1      2.7657100              1.0000000        
F   1
  1      1.5146100              1.0000000        
F   1
  1      0.8157490              1.0000000        
F   1
  1      0.5792000              1.0000000        
F   1
  1      0.2917500              1.0000000        
F   1
  1      0.1442820              1.0000000        
F   1
  1      0.0803940              1.0000000        
G   1
  1      5.8591300              1.0000000        
G   1
  1      2.6563300              1.0000000        
G   1
  1      1.5950700              1.0000000        
G   1
  1      0.8979970              1.0000000        
G   1
  1      0.5279690              1.0000000        
G   1
  1      0.2724240              1.0000000        
G   1
  1      0.1360260              1.0000000        
H   1
  1      3.7671100              1.0000000        
H   1
  1      2.1954000              1.0000000        
H   1
  1      1.1882700              1.0000000        
H   1
  1      0.8190010              1.0000000        
H   1
  1      0.3806410              1.0000000        
I   1
  1      2.0690400              1.0000000        
I   1
  1      1.1191800              1.0000000        
I   1
  1      0.6575050              1.0000000        
K   1
  1      1.7963190              1.0000000        
K   1
  1      1.1130330              1.0000000        


name: cc-pVQZ-PP MP2 Fitting
description: MP2 auxiliary basis set for use with cc-pVQZ-PP AO basis set
elt: Os
data:
OSMIUM
S   1
  1      8.3896800              1.0000000        
S   1
  1      5.4025600              1.0000000        
S   1
  1      3.5929100              1.0000000        
S   1
  1      2.2315800              1.0000000        
S   1
  1      1.2952300              1.0000000        
S   1
  1      0.7485440              1.0000000        
S   1
  1      0.4020240              1.0000000        
S   1
  1      0.2082790              1.0000000        
S   1
  1      0.1061100              1.0000000        
S   1
  1      0.0390220              1.0000000        
S   1
  1      0.0168250              1.0000000        
P   1
  1      7.1792000              1.0000000        
P   1
  1      3.8167500              1.0000000        
P   1
  1      2.2471300              1.0000000        
P   1
  1      1.4752900              1.0000000        
P   1
  1      0.8729920              1.0000000        
P   1
  1      0.5314980              1.0000000        
P   1
  1      0.2853660              1.0000000        
P   1
  1      0.1488640              1.0000000        
P   1
  1      0.0845750              1.0000000        
P   1
  1      0.0536260              1.0000000        
P   1
  1      0.0188640              1.0000000        
D   1
  1      7.7612400              1.0000000        
D   1
  1      4.7724400              1.0000000        
D   1
  1      2.7661100              1.0000000        
D   1
  1      1.7264800              1.0000000        
D   1
  1      0.9965310              1.0000000        
D   1
  1      0.5459160              1.0000000        
D   1
  1      0.3196290              1.0000000        
D   1
  1      0.1560720              1.0000000        
D   1
  1      0.0830250              1.0000000        
D   1
  1      0.0486560              1.0000000        
F   1
  1      4.7334200              1.0000000        
F   1
  1      2.9844600              1.0000000        
F   1
  1      1.7488600              1.0000000        
F   1
  1      0.9270570              1.0000000        
F   1
  1      0.6173000              1.0000000        
F   1
  1      0.3318020              1.0000000        
F   1
  1      0.1538560              1.0000000        
F   1
  1      0.0762720              1.0000000        
G   1
  1      6.3405200              1.0000000        
G   1
  1      2.8641600              1.0000000        
G   1
  1      1.7136100              1.0000000        
G   1
  1      0.9069980              1.0000000        
G   1
  1      0.5602820              1.0000000        
G   1
  1      0.2622780              1.0000000        
G   1
  1      0.1274240              1.0000000        
H   1
  1      4.1405600              1.0000000        
H   1
  1      2.3511800              1.0000000        
H   1
  1      1.2062300              1.0000000        
H   1
  1      0.7878840              1.0000000        
H   1
  1      0.4027190              1.0000000        
I   1
  1      2.3039800              1.0000000        
I   1
  1      1.2977600              1.0000000        
I   1
  1      0.7338260              1.0000000        
K   1
  1      2.0437410              1.0000000        
K   1
  1      1.2537600              1.0000000        


name: cc-pVQZ-PP MP2 Fitting
description: MP2 auxiliary basis set for use with cc-pVQZ-PP AO basis set
elt: Ir
data:
IRIDIUM
S   1
  1      9.0385700              1.0000000        
S   1
  1      6.1560200              1.0000000        
S   1
  1      4.0423200              1.0000000        
S   1
  1      2.8087400              1.0000000        
S   1
  1      1.4949300              1.0000000        
S   1
  1      0.8031870              1.0000000        
S   1
  1      0.5714630              1.0000000        
S   1
  1      0.2668250              1.0000000        
S   1
  1      0.1399890              1.0000000        
S   1
  1      0.0583900              1.0000000        
S   1
  1      0.0209080              1.0000000        
P   1
  1      7.9568600              1.0000000        
P   1
  1      4.2912100              1.0000000        
P   1
  1      2.6501700              1.0000000        
P   1
  1      1.6787800              1.0000000        
P   1
  1      1.0693800              1.0000000        
P   1
  1      0.6303390              1.0000000        
P   1
  1      0.3404930              1.0000000        
P   1
  1      0.1954130              1.0000000        
P   1
  1      0.0965930              1.0000000        
P   1
  1      0.0641050              1.0000000        
P   1
  1      0.0249370              1.0000000        
D   1
  1      8.8583900              1.0000000        
D   1
  1      5.1456500              1.0000000        
D   1
  1      2.9560300              1.0000000        
D   1
  1      2.0837700              1.0000000        
D   1
  1      1.1522700              1.0000000        
D   1
  1      0.5620780              1.0000000        
D   1
  1      0.4128580              1.0000000        
D   1
  1      0.1903670              1.0000000        
D   1
  1      0.0945180              1.0000000        
D   1
  1      0.0576110              1.0000000        
F   1
  1      4.9801400              1.0000000        
F   1
  1      3.2764200              1.0000000        
F   1
  1      1.8744600              1.0000000        
F   1
  1      1.0733100              1.0000000        
F   1
  1      0.7186170              1.0000000        
F   1
  1      0.3838390              1.0000000        
F   1
  1      0.2044740              1.0000000        
F   1
  1      0.0832820              1.0000000        
G   1
  1      7.1115300              1.0000000        
G   1
  1      3.4650100              1.0000000        
G   1
  1      2.1048300              1.0000000        
G   1
  1      1.3806900              1.0000000        
G   1
  1      0.6849700              1.0000000        
G   1
  1      0.3634010              1.0000000        
G   1
  1      0.1834200              1.0000000        
H   1
  1      4.5642000              1.0000000        
H   1
  1      2.7533000              1.0000000        
H   1
  1      1.5689300              1.0000000        
H   1
  1      1.0409400              1.0000000        
H   1
  1      0.4920260              1.0000000        
I   1
  1      2.5219400              1.0000000        
I   1
  1      1.2460500              1.0000000        
I   1
  1      0.7902210              1.0000000        
K   1
  1      2.3037350              1.0000000        
K   1
  1      1.4295630              1.0000000        


name: cc-pVQZ-PP MP2 Fitting
description: MP2 auxiliary basis set for use with cc-pVQZ-PP AO basis set
elt: Pt
data:
PLATINUM
S   1
  1      9.8632800              1.0000000        
S   1
  1      6.8635800              1.0000000        
S   1
  1      4.5204000              1.0000000        
S   1
  1      3.1340100              1.0000000        
S   1
  1      1.7038200              1.0000000        
S   1
  1      1.0422700              1.0000000        
S   1
  1      0.5102640              1.0000000        
S   1
  1      0.2646300              1.0000000        
S   1
  1      0.1212020              1.0000000        
S   1
  1      0.0506120              1.0000000        
S   1
  1      0.0287130              1.0000000        
P   1
  1      8.6552300              1.0000000        
P   1
  1      4.9481900              1.0000000        
P   1
  1      3.0792700              1.0000000        
P   1
  1      1.9857200              1.0000000        
P   1
  1      1.3966400              1.0000000        
P   1
  1      0.7426900              1.0000000        
P   1
  1      0.4177550              1.0000000        
P   1
  1      0.2290990              1.0000000        
P   1
  1      0.1098950              1.0000000        
P   1
  1      0.0716780              1.0000000        
P   1
  1      0.0328670              1.0000000        
D   1
  1      9.5754500              1.0000000        
D   1
  1      5.7607700              1.0000000        
D   1
  1      3.3866100              1.0000000        
D   1
  1      2.0954800              1.0000000        
D   1
  1      1.3981800              1.0000000        
D   1
  1      0.7254170              1.0000000        
D   1
  1      0.3810310              1.0000000        
D   1
  1      0.1968410              1.0000000        
D   1
  1      0.1035240              1.0000000        
D   1
  1      0.0660070              1.0000000        
F   1
  1      5.3079500              1.0000000        
F   1
  1      3.4784300              1.0000000        
F   1
  1      2.1758100              1.0000000        
F   1
  1      1.2002400              1.0000000        
F   1
  1      0.7999720              1.0000000        
F   1
  1      0.4261920              1.0000000        
F   1
  1      0.2145130              1.0000000        
F   1
  1      0.1033790              1.0000000        
G   1
  1      8.6607000              1.0000000        
G   1
  1      4.7517400              1.0000000        
G   1
  1      2.6354100              1.0000000        
G   1
  1      1.6635100              1.0000000        
G   1
  1      0.7822730              1.0000000        
G   1
  1      0.3866830              1.0000000        
G   1
  1      0.1893380              1.0000000        
H   1
  1      5.0432200              1.0000000        
H   1
  1      2.9636100              1.0000000        
H   1
  1      1.6746600              1.0000000        
H   1
  1      1.0969600              1.0000000        
H   1
  1      0.5318540              1.0000000        
I   1
  1      2.8252700              1.0000000        
I   1
  1      1.7204700              1.0000000        
I   1
  1      0.9525680              1.0000000        
K   1
  1      2.6113690              1.0000000        
K   1
  1      1.5997670              1.0000000        


name: cc-pVQZ-PP-RI
elt: Cu
data:
COPPER
S   1
  1     26.034100000            1.0000000        
S   1
  1     15.776700000            1.0000000        
S   1
  1      9.9559000000           1.0000000        
S   1
  1      6.1720300000           1.0000000        
S   1
  1      3.2354100000           1.0000000        
S   1
  1      1.5329200000           1.0000000        
S   1
  1      0.80589100000          1.0000000        
S   1
  1      0.41243800000          1.0000000        
S   1
  1      0.20134000000          1.0000000        
S   1
  1      0.11171500000          1.0000000        
S   1
  1      0.61494300000E-01            1.0000000        
P   1
  1     26.380400000            1.0000000        
P   1
  1     16.241100000            1.0000000        
P   1
  1      9.5133400000           1.0000000        
P   1
  1      4.6219000000           1.0000000        
P   1
  1      2.8693300000           1.0000000        
P   1
  1      1.5525000000           1.0000000        
P   1
  1      0.89893900000          1.0000000        
P   1
  1      0.52082500000          1.0000000        
P   1
  1      0.31067900000          1.0000000        
P   1
  1      0.16099600000          1.0000000        
P   1
  1      0.79563200000E-01            1.0000000        
D   1
  1     23.773500000            1.0000000        
D   1
  1     14.612400000            1.0000000        
D   1
  1      8.3081700000           1.0000000        
D   1
  1      4.0026100000           1.0000000        
D   1
  1      2.7150600000           1.0000000        
D   1
  1      1.4849700000           1.0000000        
D   1
  1      0.76204200000          1.0000000        
D   1
  1      0.44204800000          1.0000000        
D   1
  1      0.25652800000          1.0000000        
D   1
  1      0.14606300000          1.0000000        
F   1
  1     14.892200000            1.0000000        
F   1
  1     10.386800000            1.0000000        
F   1
  1      5.5153300000           1.0000000        
F   1
  1      3.3555400000           1.0000000        
F   1
  1      1.5599900000           1.0000000        
F   1
  1      0.93579900000          1.0000000        
F   1
  1      0.45225500000          1.0000000        
F   1
  1      0.24521100000          1.0000000        
G   1
  1     27.559400000            1.0000000        
G   1
  1     10.612800000            1.0000000        
G   1
  1      6.8797100000           1.0000000        
G   1
  1      3.5309400000           1.0000000        
G   1
  1      1.8080000000           1.0000000        
G   1
  1      0.69967200000          1.0000000        
G   1
  1      0.33891600000          1.0000000        
H   1
  1     16.395400000            1.0000000        
H   1
  1      8.4479600000           1.0000000        
H   1
  1      4.6832400000           1.0000000        
H   1
  1      2.8024400000           1.0000000        
H   1
  1      1.2955800000           1.0000000        
I   1
  1     11.311400000            1.0000000        
I   1
  1      6.1147100000           1.0000000        
I   1
  1      2.8549200000           1.0000000        
K   1
  1      8.8698200000           1.0000000        
K   1
  1      5.0178700000           1.0000000        


name: cc-pVQZ-PP-RI
elt: Zn
data:
ZINC
S   1
  1     30.720200000            1.0000000        
S   1
  1     18.616500000            1.0000000        
S   1
  1     11.748000000            1.0000000        
S   1
  1      7.2829900000           1.0000000        
S   1
  1      3.8177900000           1.0000000        
S   1
  1      1.8088400000           1.0000000        
S   1
  1      0.95095100000          1.0000000        
S   1
  1      0.48667700000          1.0000000        
S   1
  1      0.23758100000          1.0000000        
S   1
  1      0.13182400000          1.0000000        
S   1
  1      0.72563300000E-01            1.0000000        
P   1
  1     31.128900000            1.0000000        
P   1
  1     19.164500000            1.0000000        
P   1
  1     11.225700000            1.0000000        
P   1
  1      5.4538400000           1.0000000        
P   1
  1      3.3858100000           1.0000000        
P   1
  1      1.8319500000           1.0000000        
P   1
  1      1.0607500000           1.0000000        
P   1
  1      0.61457300000          1.0000000        
P   1
  1      0.36660100000          1.0000000        
P   1
  1      0.18997500000          1.0000000        
P   1
  1      0.93884600000E-01            1.0000000        
D   1
  1     28.052800000            1.0000000        
D   1
  1     17.242700000            1.0000000        
D   1
  1      9.8036400000           1.0000000        
D   1
  1      4.7230800000           1.0000000        
D   1
  1      3.2037700000           1.0000000        
D   1
  1      1.7522600000           1.0000000        
D   1
  1      0.89920900000          1.0000000        
D   1
  1      0.52161600000          1.0000000        
D   1
  1      0.30270300000          1.0000000        
D   1
  1      0.17235500000          1.0000000        
F   1
  1     17.572700000            1.0000000        
F   1
  1     12.256400000            1.0000000        
F   1
  1      6.5080900000           1.0000000        
F   1
  1      3.9595400000           1.0000000        
F   1
  1      1.8407900000           1.0000000        
F   1
  1      1.1042400000           1.0000000        
F   1
  1      0.53366100000          1.0000000        
F   1
  1      0.28934900000          1.0000000        
G   1
  1     32.520100000            1.0000000        
G   1
  1     12.523100000            1.0000000        
G   1
  1      8.1180600000           1.0000000        
G   1
  1      4.1665100000           1.0000000        
G   1
  1      2.1334400000           1.0000000        
G   1
  1      0.82561300000          1.0000000        
G   1
  1      0.39992100000          1.0000000        
H   1
  1     19.346500000            1.0000000        
H   1
  1      9.9685900000           1.0000000        
H   1
  1      5.5262200000           1.0000000        
H   1
  1      3.3068800000           1.0000000        
H   1
  1      1.5287800000           1.0000000        
I   1
  1     13.347400000            1.0000000        
I   1
  1      7.2153600000           1.0000000        
I   1
  1      3.3688000000           1.0000000        
K   1
  1     10.466400000            1.0000000        
K   1
  1      5.9210900000           1.0000000        


name: cc-pVQZ-PP-RI
elt: Ga
data:
GALLIUM
S   1
  1     20.678700000            1.0000000        
S   1
  1     11.755500000            1.0000000        
S   1
  1      7.7107700000           1.0000000        
S   1
  1      3.3256900000           1.0000000        
S   1
  1      1.7465900000           1.0000000        
S   1
  1      1.0288300000           1.0000000        
S   1
  1      0.62323100000          1.0000000        
S   1
  1      0.35016400000          1.0000000        
S   1
  1      0.21835900000          1.0000000        
S   1
  1      0.11349100000          1.0000000        
P   1
  1     24.893300000            1.0000000        
P   1
  1     19.532600000            1.0000000        
P   1
  1     10.283100000            1.0000000        
P   1
  1      4.5249400000           1.0000000        
P   1
  1      2.4223800000           1.0000000        
P   1
  1      1.1399200000           1.0000000        
P   1
  1      0.72550600000          1.0000000        
P   1
  1      0.40889800000          1.0000000        
P   1
  1      0.19467900000          1.0000000        
P   1
  1      0.11121100000          1.0000000        
D   1
  1     26.015300000            1.0000000        
D   1
  1     12.028300000            1.0000000        
D   1
  1      5.6838200000           1.0000000        
D   1
  1      2.6000800000           1.0000000        
D   1
  1      1.3154900000           1.0000000        
D   1
  1      0.68904400000          1.0000000        
D   1
  1      0.41406700000          1.0000000        
D   1
  1      0.28161400000          1.0000000        
D   1
  1      0.14716400000          1.0000000        
F   1
  1     26.807800000            1.0000000        
F   1
  1     10.966900000            1.0000000        
F   1
  1      4.4364100000           1.0000000        
F   1
  1      2.0254300000           1.0000000        
F   1
  1      1.1709600000           1.0000000        
F   1
  1      0.58335100000          1.0000000        
F   1
  1      0.31736200000          1.0000000        
F   1
  1      0.14010800000          1.0000000        
G   1
  1     25.916400000            1.0000000        
G   1
  1      8.9308700000           1.0000000        
G   1
  1      2.9853500000           1.0000000        
G   1
  1      1.4406600000           1.0000000        
G   1
  1      0.59094600000          1.0000000        
G   1
  1      0.28744200000          1.0000000        
H   1
  1      3.3148200000           1.0000000        
H   1
  1      1.2781800000           1.0000000        
H   1
  1      0.54314500000          1.0000000        
I   1
  1      1.1881400000           1.0000000        


name: cc-pVQZ-PP-RI
elt: Ge
data:
GERMANIUM
S   1
  1     21.112800000            1.0000000        
S   1
  1     12.587700000            1.0000000        
S   1
  1      8.3335000000           1.0000000        
S   1
  1      3.1359800000           1.0000000        
S   1
  1      1.7097100000           1.0000000        
S   1
  1      1.0207700000           1.0000000        
S   1
  1      0.60499700000          1.0000000        
S   1
  1      0.31406800000          1.0000000        
S   1
  1      0.18750200000          1.0000000        
S   1
  1      0.11456700000          1.0000000        
P   1
  1     25.470100000            1.0000000        
P   1
  1     19.979400000            1.0000000        
P   1
  1     10.290800000            1.0000000        
P   1
  1      4.5175400000           1.0000000        
P   1
  1      2.4546200000           1.0000000        
P   1
  1      1.1694500000           1.0000000        
P   1
  1      0.73647600000          1.0000000        
P   1
  1      0.46146900000          1.0000000        
P   1
  1      0.25319300000          1.0000000        
P   1
  1      0.14198000000          1.0000000        
D   1
  1     28.294200000            1.0000000        
D   1
  1     11.678600000            1.0000000        
D   1
  1      5.8814700000           1.0000000        
D   1
  1      2.7329800000           1.0000000        
D   1
  1      1.3842800000           1.0000000        
D   1
  1      0.80773600000          1.0000000        
D   1
  1      0.43386500000          1.0000000        
D   1
  1      0.22179800000          1.0000000        
D   1
  1      0.14269000000          1.0000000        
F   1
  1     29.247300000            1.0000000        
F   1
  1     11.118000000            1.0000000        
F   1
  1      4.4064000000           1.0000000        
F   1
  1      2.4196600000           1.0000000        
F   1
  1      1.2878300000           1.0000000        
F   1
  1      0.70434500000          1.0000000        
F   1
  1      0.40148100000          1.0000000        
F   1
  1      0.18584800000          1.0000000        
G   1
  1     28.427100000            1.0000000        
G   1
  1      9.7631300000           1.0000000        
G   1
  1      3.1225300000           1.0000000        
G   1
  1      1.6569900000           1.0000000        
G   1
  1      0.70539300000          1.0000000        
G   1
  1      0.35161800000          1.0000000        
H   1
  1      4.0716500000           1.0000000        
H   1
  1      1.5675600000           1.0000000        
H   1
  1      0.64228400000          1.0000000        
I   1
  1      1.4406000000           1.0000000        


name: cc-pVQZ-PP-RI
elt: As
data:
ARSENIC
S   1
  1     26.467300000            1.0000000        
S   1
  1     13.850100000            1.0000000        
S   1
  1      8.4965900000           1.0000000        
S   1
  1      3.4471800000           1.0000000        
S   1
  1      1.6946900000           1.0000000        
S   1
  1      1.0182600000           1.0000000        
S   1
  1      0.66008800000          1.0000000        
S   1
  1      0.38411000000          1.0000000        
S   1
  1      0.22418300000          1.0000000        
S   1
  1      0.11560800000          1.0000000        
P   1
  1     25.906500000            1.0000000        
P   1
  1     20.507400000            1.0000000        
P   1
  1     10.747100000            1.0000000        
P   1
  1      4.5093000000           1.0000000        
P   1
  1      2.4494700000           1.0000000        
P   1
  1      1.1653700000           1.0000000        
P   1
  1      0.73665100000          1.0000000        
P   1
  1      0.47333300000          1.0000000        
P   1
  1      0.27289800000          1.0000000        
P   1
  1      0.14687700000          1.0000000        
D   1
  1     30.629600000            1.0000000        
D   1
  1     11.978300000            1.0000000        
D   1
  1      5.7111900000           1.0000000        
D   1
  1      2.9888400000           1.0000000        
D   1
  1      1.3587600000           1.0000000        
D   1
  1      0.86820500000          1.0000000        
D   1
  1      0.51370800000          1.0000000        
D   1
  1      0.28193900000          1.0000000        
D   1
  1      0.13895700000          1.0000000        
F   1
  1     28.628000000            1.0000000        
F   1
  1     11.532100000            1.0000000        
F   1
  1      5.1247900000           1.0000000        
F   1
  1      2.6298000000           1.0000000        
F   1
  1      1.4123900000           1.0000000        
F   1
  1      0.81761400000          1.0000000        
F   1
  1      0.48434200000          1.0000000        
F   1
  1      0.24270800000          1.0000000        
G   1
  1     33.833500000            1.0000000        
G   1
  1     11.625000000            1.0000000        
G   1
  1      3.4095300000           1.0000000        
G   1
  1      2.0439800000           1.0000000        
G   1
  1      0.83984700000          1.0000000        
G   1
  1      0.42847100000          1.0000000        
H   1
  1      5.3687700000           1.0000000        
H   1
  1      2.0012700000           1.0000000        
H   1
  1      0.77224500000          1.0000000        
I   1
  1      1.7438500000           1.0000000        


name: cc-pVQZ-PP-RI
elt: Se
data:
SELENIUM
S   1
  1     28.448400000            1.0000000        
S   1
  1     14.626600000            1.0000000        
S   1
  1      8.6686700000           1.0000000        
S   1
  1      3.4152300000           1.0000000        
S   1
  1      1.6538700000           1.0000000        
S   1
  1      0.99213400000          1.0000000        
S   1
  1      0.64988100000          1.0000000        
S   1
  1      0.38659300000          1.0000000        
S   1
  1      0.22979500000          1.0000000        
S   1
  1      0.11816900000          1.0000000        
P   1
  1     26.787800000            1.0000000        
P   1
  1     21.280000000            1.0000000        
P   1
  1     10.769700000            1.0000000        
P   1
  1      4.5791600000           1.0000000        
P   1
  1      2.5252700000           1.0000000        
P   1
  1      1.1923700000           1.0000000        
P   1
  1      0.75749000000          1.0000000        
P   1
  1      0.45807900000          1.0000000        
P   1
  1      0.24348100000          1.0000000        
P   1
  1      0.13143000000          1.0000000        
D   1
  1     32.290600000            1.0000000        
D   1
  1     12.137700000            1.0000000        
D   1
  1      5.6097400000           1.0000000        
D   1
  1      3.0591000000           1.0000000        
D   1
  1      1.2940300000           1.0000000        
D   1
  1      0.78850600000          1.0000000        
D   1
  1      0.49379300000          1.0000000        
D   1
  1      0.31357700000          1.0000000        
D   1
  1      0.14845200000          1.0000000        
F   1
  1     29.425600000            1.0000000        
F   1
  1     12.406000000            1.0000000        
F   1
  1      5.5169900000           1.0000000        
F   1
  1      2.8985900000           1.0000000        
F   1
  1      1.5940700000           1.0000000        
F   1
  1      0.90198100000          1.0000000        
F   1
  1      0.53299500000          1.0000000        
F   1
  1      0.27511200000          1.0000000        
G   1
  1     38.062000000            1.0000000        
G   1
  1     12.988700000            1.0000000        
G   1
  1      3.7138000000           1.0000000        
G   1
  1      2.2127700000           1.0000000        
G   1
  1      0.94984300000          1.0000000        
G   1
  1      0.46730400000          1.0000000        
H   1
  1      5.5034300000           1.0000000        
H   1
  1      2.1453700000           1.0000000        
H   1
  1      0.82810100000          1.0000000        
I   1
  1      1.9087200000           1.0000000        


name: cc-pVQZ-PP-RI
elt: Br
data:
BROMINE
S   1
  1     30.762100000            1.0000000        
S   1
  1     15.650900000            1.0000000        
S   1
  1      9.0214600000           1.0000000        
S   1
  1      3.5729500000           1.0000000        
S   1
  1      1.6978700000           1.0000000        
S   1
  1      1.0012300000           1.0000000        
S   1
  1      0.63974500000          1.0000000        
S   1
  1      0.37479000000          1.0000000        
S   1
  1      0.22446400000          1.0000000        
S   1
  1      0.11833500000          1.0000000        
P   1
  1     28.249100000            1.0000000        
P   1
  1     22.670900000            1.0000000        
P   1
  1     10.699100000            1.0000000        
P   1
  1      4.5723200000           1.0000000        
P   1
  1      2.5657100000           1.0000000        
P   1
  1      1.2510400000           1.0000000        
P   1
  1      0.82268200000          1.0000000        
P   1
  1      0.50865100000          1.0000000        
P   1
  1      0.25842100000          1.0000000        
P   1
  1      0.12400500000          1.0000000        
D   1
  1     34.623400000            1.0000000        
D   1
  1     12.518000000            1.0000000        
D   1
  1      5.5355200000           1.0000000        
D   1
  1      3.1524100000           1.0000000        
D   1
  1      1.3854200000           1.0000000        
D   1
  1      0.80971700000          1.0000000        
D   1
  1      0.48578900000          1.0000000        
D   1
  1      0.31510500000          1.0000000        
D   1
  1      0.15151800000          1.0000000        
F   1
  1     30.958100000            1.0000000        
F   1
  1     13.230100000            1.0000000        
F   1
  1      5.7170500000           1.0000000        
F   1
  1      3.1397600000           1.0000000        
F   1
  1      1.5355600000           1.0000000        
F   1
  1      0.93146700000          1.0000000        
F   1
  1      0.55362300000          1.0000000        
F   1
  1      0.31627800000          1.0000000        
G   1
  1     41.606000000            1.0000000        
G   1
  1     14.366400000            1.0000000        
G   1
  1      3.8265900000           1.0000000        
G   1
  1      2.3993500000           1.0000000        
G   1
  1      1.1096200000           1.0000000        
G   1
  1      0.55207500000          1.0000000        
H   1
  1      5.5930500000           1.0000000        
H   1
  1      2.3476700000           1.0000000        
H   1
  1      0.94710800000          1.0000000        
I   1
  1      2.2140200000           1.0000000        


name: cc-pVQZ-PP-RI
elt: Kr
data:
KRYPTON
S   1
  1     31.957900000            1.0000000        
S   1
  1     17.227000000            1.0000000        
S   1
  1      9.9880900000           1.0000000        
S   1
  1      3.8052900000           1.0000000        
S   1
  1      1.9284200000           1.0000000        
S   1
  1      1.1817200000           1.0000000        
S   1
  1      0.70174500000          1.0000000        
S   1
  1      0.38280500000          1.0000000        
S   1
  1      0.22995100000          1.0000000        
S   1
  1      0.12214500000          1.0000000        
P   1
  1     32.761700000            1.0000000        
P   1
  1     27.216400000            1.0000000        
P   1
  1     10.410100000            1.0000000        
P   1
  1      4.2935300000           1.0000000        
P   1
  1      2.5176900000           1.0000000        
P   1
  1      1.2998500000           1.0000000        
P   1
  1      0.88308300000          1.0000000        
P   1
  1      0.54524100000          1.0000000        
P   1
  1      0.27901200000          1.0000000        
P   1
  1      0.12869000000          1.0000000        
D   1
  1     36.221000000            1.0000000        
D   1
  1     12.972600000            1.0000000        
D   1
  1      5.3419800000           1.0000000        
D   1
  1      3.1717400000           1.0000000        
D   1
  1      1.4720100000           1.0000000        
D   1
  1      0.92086700000          1.0000000        
D   1
  1      0.51824900000          1.0000000        
D   1
  1      0.32381500000          1.0000000        
D   1
  1      0.16143700000          1.0000000        
F   1
  1     33.852500000            1.0000000        
F   1
  1     14.377100000            1.0000000        
F   1
  1      6.1783100000           1.0000000        
F   1
  1      3.4536900000           1.0000000        
F   1
  1      1.6182200000           1.0000000        
F   1
  1      1.0020700000           1.0000000        
F   1
  1      0.60849600000          1.0000000        
F   1
  1      0.35469000000          1.0000000        
G   1
  1     45.167100000            1.0000000        
G   1
  1     15.742700000            1.0000000        
G   1
  1      4.2540200000           1.0000000        
G   1
  1      2.5904400000           1.0000000        
G   1
  1      1.2602100000           1.0000000        
G   1
  1      0.66649700000          1.0000000        
H   1
  1      5.9641000000           1.0000000        
H   1
  1      2.5862000000           1.0000000        
H   1
  1      1.0843200000           1.0000000        
I   1
  1      2.5918500000           1.0000000        


name: cc-pVQZ-PP-RI
elt: Ag
data:
SILVER
S   1
  1     11.451300000            1.0000000        
S   1
  1      7.5554800000           1.0000000        
S   1
  1      5.3637800000           1.0000000        
S   1
  1      3.6214100000           1.0000000        
S   1
  1      1.8570200000           1.0000000        
S   1
  1      0.90620600000          1.0000000        
S   1
  1      0.48571600000          1.0000000        
S   1
  1      0.23066500000          1.0000000        
S   1
  1      0.10546500000          1.0000000        
S   1
  1      0.57126800000E-01            1.0000000        
S   1
  1      0.31132500000E-01            1.0000000        
P   1
  1     11.302300000            1.0000000        
P   1
  1      6.6109600000           1.0000000        
P   1
  1      4.0942800000           1.0000000        
P   1
  1      2.4640100000           1.0000000        
P   1
  1      1.5708300000           1.0000000        
P   1
  1      0.79996200000          1.0000000        
P   1
  1      0.45420900000          1.0000000        
P   1
  1      0.26163600000          1.0000000        
P   1
  1      0.15574900000          1.0000000        
P   1
  1      0.80624000000E-01            1.0000000        
P   1
  1      0.39814600000E-01            1.0000000        
D   1
  1     11.761300000            1.0000000        
D   1
  1      7.7312900000           1.0000000        
D   1
  1      4.9337700000           1.0000000        
D   1
  1      2.2825600000           1.0000000        
D   1
  1      1.4409500000           1.0000000        
D   1
  1      0.75897300000          1.0000000        
D   1
  1      0.38532000000          1.0000000        
D   1
  1      0.22236200000          1.0000000        
D   1
  1      0.12865700000          1.0000000        
D   1
  1      0.73133900000E-01            1.0000000        
F   1
  1      7.7156700000           1.0000000        
F   1
  1      5.5968400000           1.0000000        
F   1
  1      2.9638900000           1.0000000        
F   1
  1      1.8473000000           1.0000000        
F   1
  1      0.89660300000          1.0000000        
F   1
  1      0.50847900000          1.0000000        
F   1
  1      0.22908300000          1.0000000        
F   1
  1      0.12285200000          1.0000000        
G   1
  1     12.937000000            1.0000000        
G   1
  1      5.1849500000           1.0000000        
G   1
  1      3.4413000000           1.0000000        
G   1
  1      1.8246300000           1.0000000        
G   1
  1      1.0796000000           1.0000000        
G   1
  1      0.49266200000          1.0000000        
G   1
  1      0.19617500000          1.0000000        
H   1
  1      6.0589100000           1.0000000        
H   1
  1      4.2546600000           1.0000000        
H   1
  1      2.3806500000           1.0000000        
H   1
  1      1.3690300000           1.0000000        
H   1
  1      0.80171800000          1.0000000        
I   1
  1      4.4436400000           1.0000000        
I   1
  1      2.9251400000           1.0000000        
I   1
  1      1.4801500000           1.0000000        
K   1
  1      4.4024200000           1.0000000        
K   1
  1      2.4919700000           1.0000000        


name: cc-pVQZ-PP-RI
elt: Cd
data:
CADMIUM
S   1
  1     12.694000000            1.0000000        
S   1
  1      8.4281000000           1.0000000        
S   1
  1      6.0308800000           1.0000000        
S   1
  1      4.0250600000           1.0000000        
S   1
  1      2.1001700000           1.0000000        
S   1
  1      1.1394500000           1.0000000        
S   1
  1      0.66655000000          1.0000000        
S   1
  1      0.31347300000          1.0000000        
S   1
  1      0.13348500000          1.0000000        
S   1
  1      0.69517000000E-01            1.0000000        
S   1
  1      0.37132000000E-01            1.0000000        
P   1
  1     13.203000000            1.0000000        
P   1
  1      7.7083600000           1.0000000        
P   1
  1      4.8162800000           1.0000000        
P   1
  1      2.9147700000           1.0000000        
P   1
  1      1.8566700000           1.0000000        
P   1
  1      0.94507200000          1.0000000        
P   1
  1      0.53691200000          1.0000000        
P   1
  1      0.30806300000          1.0000000        
P   1
  1      0.18322500000          1.0000000        
P   1
  1      0.95336300000E-01            1.0000000        
P   1
  1      0.47225700000E-01            1.0000000        
D   1
  1     13.613300000            1.0000000        
D   1
  1      8.7139900000           1.0000000        
D   1
  1      5.3454900000           1.0000000        
D   1
  1      2.6059100000           1.0000000        
D   1
  1      1.7227800000           1.0000000        
D   1
  1      0.92304800000          1.0000000        
D   1
  1      0.46529600000          1.0000000        
D   1
  1      0.26699300000          1.0000000        
D   1
  1      0.15300400000          1.0000000        
D   1
  1      0.86462500000E-01            1.0000000        
F   1
  1      8.7647800000           1.0000000        
F   1
  1      6.2329600000           1.0000000        
F   1
  1      3.3668200000           1.0000000        
F   1
  1      2.1015900000           1.0000000        
F   1
  1      1.0526500000           1.0000000        
F   1
  1      0.61729700000          1.0000000        
F   1
  1      0.27147200000          1.0000000        
F   1
  1      0.14534400000          1.0000000        
G   1
  1     14.707500000            1.0000000        
G   1
  1      5.9106400000           1.0000000        
G   1
  1      3.8883800000           1.0000000        
G   1
  1      2.1637300000           1.0000000        
G   1
  1      1.2298000000           1.0000000        
G   1
  1      0.59020400000          1.0000000        
G   1
  1      0.23823400000          1.0000000        
H   1
  1      7.1685500000           1.0000000        
H   1
  1      4.7700100000           1.0000000        
H   1
  1      2.7723000000           1.0000000        
H   1
  1      1.6926400000           1.0000000        
H   1
  1      0.94126400000          1.0000000        
I   1
  1      5.0982800000           1.0000000        
I   1
  1      3.3196600000           1.0000000        
I   1
  1      1.6684100000           1.0000000        
K   1
  1      5.0955800000           1.0000000        
K   1
  1      2.8889300000           1.0000000        


name: cc-pVQZ-PP-RI
elt: In
data:
INDIUM
S   1
  1     15.632900000            1.0000000        
S   1
  1      9.8547800000           1.0000000        
S   1
  1      6.9066900000           1.0000000        
S   1
  1      4.4709900000           1.0000000        
S   1
  1      2.2169900000           1.0000000        
S   1
  1      1.1372000000           1.0000000        
S   1
  1      0.59101700000          1.0000000        
S   1
  1      0.35619700000          1.0000000        
S   1
  1      0.19818600000          1.0000000        
S   1
  1      0.10804800000          1.0000000        
S   1
  1      0.52155700000E-01            1.0000000        
P   1
  1     13.509600000            1.0000000        
P   1
  1      8.2159600000           1.0000000        
P   1
  1      6.1682600000           1.0000000        
P   1
  1      3.7549500000           1.0000000        
P   1
  1      1.8521600000           1.0000000        
P   1
  1      0.97220100000          1.0000000        
P   1
  1      0.47981700000          1.0000000        
P   1
  1      0.28175900000          1.0000000        
P   1
  1      0.16988400000          1.0000000        
P   1
  1      0.91386600000E-01            1.0000000        
P   1
  1      0.49851300000E-01            1.0000000        
D   1
  1     12.476900000            1.0000000        
D   1
  1      8.5768600000           1.0000000        
D   1
  1      4.1523400000           1.0000000        
D   1
  1      1.6733600000           1.0000000        
D   1
  1      0.89115700000          1.0000000        
D   1
  1      0.45578000000          1.0000000        
D   1
  1      0.26901400000          1.0000000        
D   1
  1      0.14131300000          1.0000000        
D   1
  1      0.62164400000E-01            1.0000000        
F   1
  1      9.6269700000           1.0000000        
F   1
  1      4.1560300000           1.0000000        
F   1
  1      1.3794300000           1.0000000        
F   1
  1      0.79554800000          1.0000000        
F   1
  1      0.43957800000          1.0000000        
F   1
  1      0.26138600000          1.0000000        
F   1
  1      0.12014400000          1.0000000        
G   1
  1      4.8062000000           1.0000000        
G   1
  1      2.0262600000           1.0000000        
G   1
  1      1.0399300000           1.0000000        
G   1
  1      0.48059500000          1.0000000        
G   1
  1      0.23723700000          1.0000000        
H   1
  1      1.9639000000           1.0000000        
H   1
  1      0.89059300000          1.0000000        
H   1
  1      0.44118400000          1.0000000        
I   1
  1      0.95430100000          1.0000000        


name: cc-pVQZ-PP-RI
elt: Sn
data:
TIN
S   1
  1     17.228700000            1.0000000        
S   1
  1     10.870800000            1.0000000        
S   1
  1      7.6179300000           1.0000000        
S   1
  1      4.9256200000           1.0000000        
S   1
  1      2.4387000000           1.0000000        
S   1
  1      1.2750000000           1.0000000        
S   1
  1      0.67130900000          1.0000000        
S   1
  1      0.42035400000          1.0000000        
S   1
  1      0.24500000000          1.0000000        
S   1
  1      0.13697500000          1.0000000        
S   1
  1      0.65363200000E-01            1.0000000        
P   1
  1     14.895400000            1.0000000        
P   1
  1      9.0643900000           1.0000000        
P   1
  1      6.8147600000           1.0000000        
P   1
  1      4.1366300000           1.0000000        
P   1
  1      2.1673900000           1.0000000        
P   1
  1      1.1303300000           1.0000000        
P   1
  1      0.58068400000          1.0000000        
P   1
  1      0.34493300000          1.0000000        
P   1
  1      0.20802400000          1.0000000        
P   1
  1      0.11257300000          1.0000000        
P   1
  1      0.61668400000E-01            1.0000000        
D   1
  1     12.851500000            1.0000000        
D   1
  1      8.8749800000           1.0000000        
D   1
  1      4.3397600000           1.0000000        
D   1
  1      1.7881600000           1.0000000        
D   1
  1      0.97450700000          1.0000000        
D   1
  1      0.54757300000          1.0000000        
D   1
  1      0.31299900000          1.0000000        
D   1
  1      0.17890400000          1.0000000        
D   1
  1      0.77532300000E-01            1.0000000        
F   1
  1      9.8820100000           1.0000000        
F   1
  1      4.5587200000           1.0000000        
F   1
  1      1.8078400000           1.0000000        
F   1
  1      0.98078900000          1.0000000        
F   1
  1      0.55484800000          1.0000000        
F   1
  1      0.32169100000          1.0000000        
F   1
  1      0.15547800000          1.0000000        
G   1
  1      5.1905500000           1.0000000        
G   1
  1      2.0590000000           1.0000000        
G   1
  1      1.1250300000           1.0000000        
G   1
  1      0.53843200000          1.0000000        
G   1
  1      0.28157700000          1.0000000        
H   1
  1      2.0686900000           1.0000000        
H   1
  1      0.93179900000          1.0000000        
H   1
  1      0.51502500000          1.0000000        
I   1
  1      1.0960800000           1.0000000        


name: cc-pVQZ-PP-RI
elt: Sb
data:
ANTIMONY
S   1
  1     18.956700000            1.0000000        
S   1
  1     11.960400000            1.0000000        
S   1
  1      8.3816300000           1.0000000        
S   1
  1      5.4193800000           1.0000000        
S   1
  1      2.6828900000           1.0000000        
S   1
  1      1.5908900000           1.0000000        
S   1
  1      0.79424600000          1.0000000        
S   1
  1      0.50332200000          1.0000000        
S   1
  1      0.29905600000          1.0000000        
S   1
  1      0.17087200000          1.0000000        
S   1
  1      0.81380600000E-01            1.0000000        
P   1
  1     16.470300000            1.0000000        
P   1
  1      9.9975500000           1.0000000        
P   1
  1      7.4913000000           1.0000000        
P   1
  1      4.5460000000           1.0000000        
P   1
  1      2.6790100000           1.0000000        
P   1
  1      1.4307000000           1.0000000        
P   1
  1      0.74575400000          1.0000000        
P   1
  1      0.43609500000          1.0000000        
P   1
  1      0.25486500000          1.0000000        
P   1
  1      0.13616000000          1.0000000        
P   1
  1      0.76326500000E-01            1.0000000        
D   1
  1     13.689200000            1.0000000        
D   1
  1      9.5018900000           1.0000000        
D   1
  1      5.0105700000           1.0000000        
D   1
  1      1.9893700000           1.0000000        
D   1
  1      1.0376700000           1.0000000        
D   1
  1      0.62712900000          1.0000000        
D   1
  1      0.37206300000          1.0000000        
D   1
  1      0.21500600000          1.0000000        
D   1
  1      0.96280300000E-01            1.0000000        
F   1
  1     10.433500000            1.0000000        
F   1
  1      5.1200800000           1.0000000        
F   1
  1      2.0627500000           1.0000000        
F   1
  1      1.2044400000           1.0000000        
F   1
  1      0.64950500000          1.0000000        
F   1
  1      0.38330900000          1.0000000        
F   1
  1      0.18723900000          1.0000000        
G   1
  1      5.5203200000           1.0000000        
G   1
  1      2.2614000000           1.0000000        
G   1
  1      1.1998100000           1.0000000        
G   1
  1      0.60833600000          1.0000000        
G   1
  1      0.32042200000          1.0000000        
H   1
  1      2.2333900000           1.0000000        
H   1
  1      1.0104800000           1.0000000        
H   1
  1      0.55368200000          1.0000000        
I   1
  1      1.2632000000           1.0000000        


name: cc-pVQZ-PP-RI
elt: Te
data:
TELLURIUM
S   1
  1     20.470300000            1.0000000        
S   1
  1     12.917400000            1.0000000        
S   1
  1      9.0534500000           1.0000000        
S   1
  1      5.8539400000           1.0000000        
S   1
  1      2.8973900000           1.0000000        
S   1
  1      1.7052600000           1.0000000        
S   1
  1      0.88090200000          1.0000000        
S   1
  1      0.56710400000          1.0000000        
S   1
  1      0.34224100000          1.0000000        
S   1
  1      0.20029700000          1.0000000        
S   1
  1      0.98424500000E-01            1.0000000        
P   1
  1     17.832600000            1.0000000        
P   1
  1     10.842100000            1.0000000        
P   1
  1      8.1245400000           1.0000000        
P   1
  1      5.0223600000           1.0000000        
P   1
  1      3.2713000000           1.0000000        
P   1
  1      1.7732600000           1.0000000        
P   1
  1      0.90383900000          1.0000000        
P   1
  1      0.51865900000          1.0000000        
P   1
  1      0.30719500000          1.0000000        
P   1
  1      0.16900900000          1.0000000        
P   1
  1      0.95281400000E-01            1.0000000        
D   1
  1     14.816300000            1.0000000        
D   1
  1      9.6020900000           1.0000000        
D   1
  1      5.4786300000           1.0000000        
D   1
  1      2.3515600000           1.0000000        
D   1
  1      1.1598900000           1.0000000        
D   1
  1      0.69616900000          1.0000000        
D   1
  1      0.42207900000          1.0000000        
D   1
  1      0.25464000000          1.0000000        
D   1
  1      0.11929800000          1.0000000        
F   1
  1     10.834000000            1.0000000        
F   1
  1      5.5923200000           1.0000000        
F   1
  1      2.5389700000           1.0000000        
F   1
  1      1.4493200000           1.0000000        
F   1
  1      0.69329900000          1.0000000        
F   1
  1      0.40675100000          1.0000000        
F   1
  1      0.20263700000          1.0000000        
G   1
  1      6.0476100000           1.0000000        
G   1
  1      2.4963300000           1.0000000        
G   1
  1      1.3533200000           1.0000000        
G   1
  1      0.68978500000          1.0000000        
G   1
  1      0.34996500000          1.0000000        
H   1
  1      2.6011900000           1.0000000        
H   1
  1      1.2262100000           1.0000000        
H   1
  1      0.59899500000          1.0000000        
I   1
  1      1.3469000000           1.0000000        


name: cc-pVQZ-PP-RI
elt: I
data:
IODINE
S   1
  1     22.104900000            1.0000000        
S   1
  1     13.947700000            1.0000000        
S   1
  1      9.7746600000           1.0000000        
S   1
  1      6.3201300000           1.0000000        
S   1
  1      3.1289400000           1.0000000        
S   1
  1      1.9388600000           1.0000000        
S   1
  1      1.0577200000           1.0000000        
S   1
  1      0.68743000000          1.0000000        
S   1
  1      0.41211900000          1.0000000        
S   1
  1      0.23941800000          1.0000000        
S   1
  1      0.11815500000          1.0000000        
P   1
  1     19.289200000            1.0000000        
P   1
  1     11.664900000            1.0000000        
P   1
  1      8.7211300000           1.0000000        
P   1
  1      5.5882500000           1.0000000        
P   1
  1      3.6920100000           1.0000000        
P   1
  1      2.2675200000           1.0000000        
P   1
  1      1.1014400000           1.0000000        
P   1
  1      0.63079800000          1.0000000        
P   1
  1      0.37937800000          1.0000000        
P   1
  1      0.21168600000          1.0000000        
P   1
  1      0.11972900000          1.0000000        
D   1
  1     15.359000000            1.0000000        
D   1
  1      9.8716200000           1.0000000        
D   1
  1      5.8744800000           1.0000000        
D   1
  1      2.8855200000           1.0000000        
D   1
  1      1.4212600000           1.0000000        
D   1
  1      0.86862200000          1.0000000        
D   1
  1      0.52420000000          1.0000000        
D   1
  1      0.30978300000          1.0000000        
D   1
  1      0.14257600000          1.0000000        
F   1
  1     11.354500000            1.0000000        
F   1
  1      6.1540400000           1.0000000        
F   1
  1      3.2258900000           1.0000000        
F   1
  1      1.7761000000           1.0000000        
F   1
  1      0.83085900000          1.0000000        
F   1
  1      0.49430200000          1.0000000        
F   1
  1      0.25049500000          1.0000000        
G   1
  1      6.5629800000           1.0000000        
G   1
  1      2.7320300000           1.0000000        
G   1
  1      1.5424400000           1.0000000        
G   1
  1      0.79840700000          1.0000000        
G   1
  1      0.40944000000          1.0000000        
H   1
  1      3.0203700000           1.0000000        
H   1
  1      1.4446100000           1.0000000        
H   1
  1      0.67949900000          1.0000000        
I   1
  1      1.5151600000           1.0000000        


name: cc-pVQZ-PP-RI
elt: Xe
data:
XENON
S   1
  1     23.853400000            1.0000000        
S   1
  1     15.055300000            1.0000000        
S   1
  1     10.556300000            1.0000000        
S   1
  1      6.8301800000           1.0000000        
S   1
  1      3.5802400000           1.0000000        
S   1
  1      2.0831100000           1.0000000        
S   1
  1      1.3413500000           1.0000000        
S   1
  1      0.86037900000          1.0000000        
S   1
  1      0.48044500000          1.0000000        
S   1
  1      0.26300300000          1.0000000        
S   1
  1      0.13074400000          1.0000000        
P   1
  1     20.816600000            1.0000000        
P   1
  1     12.593100000            1.0000000        
P   1
  1      9.4176900000           1.0000000        
P   1
  1      5.8029400000           1.0000000        
P   1
  1      4.0251400000           1.0000000        
P   1
  1      2.5074900000           1.0000000        
P   1
  1      1.3893100000           1.0000000        
P   1
  1      0.77122400000          1.0000000        
P   1
  1      0.45632600000          1.0000000        
P   1
  1      0.25817800000          1.0000000        
P   1
  1      0.14869800000          1.0000000        
D   1
  1     16.234200000            1.0000000        
D   1
  1     10.531100000            1.0000000        
D   1
  1      6.3700500000           1.0000000        
D   1
  1      3.5421700000           1.0000000        
D   1
  1      1.7648600000           1.0000000        
D   1
  1      1.0644400000           1.0000000        
D   1
  1      0.62243600000          1.0000000        
D   1
  1      0.36303800000          1.0000000        
D   1
  1      0.16931000000          1.0000000        
F   1
  1     12.209000000            1.0000000        
F   1
  1      6.5927000000           1.0000000        
F   1
  1      3.9588600000           1.0000000        
F   1
  1      2.1215200000           1.0000000        
F   1
  1      0.98989300000          1.0000000        
F   1
  1      0.60296600000          1.0000000        
F   1
  1      0.30513400000          1.0000000        
G   1
  1      7.2266400000           1.0000000        
G   1
  1      3.1293900000           1.0000000        
G   1
  1      1.8470400000           1.0000000        
G   1
  1      0.90345500000          1.0000000        
G   1
  1      0.48490800000          1.0000000        
H   1
  1      3.7362400000           1.0000000        
H   1
  1      1.8119700000           1.0000000        
H   1
  1      0.76957400000          1.0000000        
I   1
  1      1.7213500000           1.0000000        


name: cc-pVQZ-PP-RI
elt: Au
data:
GOLD
S   1
  1     10.740700000            1.0000000        
S   1
  1      7.2688400000           1.0000000        
S   1
  1      5.2858700000           1.0000000        
S   1
  1      3.6578000000           1.0000000        
S   1
  1      2.0130600000           1.0000000        
S   1
  1      1.1281500000           1.0000000        
S   1
  1      0.64080300000          1.0000000        
S   1
  1      0.27990500000          1.0000000        
S   1
  1      0.11332600000          1.0000000        
S   1
  1      0.58711900000E-01            1.0000000        
S   1
  1      0.31569900000E-01            1.0000000        
P   1
  1      9.6393800000           1.0000000        
P   1
  1      5.6767600000           1.0000000        
P   1
  1      3.8064900000           1.0000000        
P   1
  1      2.5429200000           1.0000000        
P   1
  1      1.6744900000           1.0000000        
P   1
  1      0.82040600000          1.0000000        
P   1
  1      0.47411500000          1.0000000        
P   1
  1      0.26782900000          1.0000000        
P   1
  1      0.15718700000          1.0000000        
P   1
  1      0.80671700000E-01            1.0000000        
P   1
  1      0.39754000000E-01            1.0000000        
D   1
  1     10.596000000            1.0000000        
D   1
  1      6.4838400000           1.0000000        
D   1
  1      3.9985700000           1.0000000        
D   1
  1      2.2398700000           1.0000000        
D   1
  1      1.5630100000           1.0000000        
D   1
  1      0.81551300000          1.0000000        
D   1
  1      0.41862600000          1.0000000        
D   1
  1      0.23292300000          1.0000000        
D   1
  1      0.13106600000          1.0000000        
D   1
  1      0.73509200000E-01            1.0000000        
F   1
  1      5.8530200000           1.0000000        
F   1
  1      3.9692700000           1.0000000        
F   1
  1      2.6643600000           1.0000000        
F   1
  1      1.5769900000           1.0000000        
F   1
  1      0.92442200000          1.0000000        
F   1
  1      0.49498700000          1.0000000        
F   1
  1      0.25277400000          1.0000000        
F   1
  1      0.13030200000          1.0000000        
G   1
  1     10.920300000            1.0000000        
G   1
  1      4.5124600000           1.0000000        
G   1
  1      3.2752500000           1.0000000        
G   1
  1      1.7978600000           1.0000000        
G   1
  1      0.92965500000          1.0000000        
G   1
  1      0.46773000000          1.0000000        
G   1
  1      0.21650600000          1.0000000        
H   1
  1      5.8152300000           1.0000000        
H   1
  1      3.8979500000           1.0000000        
H   1
  1      2.4139800000           1.0000000        
H   1
  1      1.3658700000           1.0000000        
H   1
  1      0.61709800000          1.0000000        
I   1
  1      3.0376300000           1.0000000        
I   1
  1      2.0221200000           1.0000000        
I   1
  1      1.0885100000           1.0000000        
K   1
  1      3.4908100000           1.0000000        
K   1
  1      1.8847600000           1.0000000        


name: cc-pVQZ-PP-RI
elt: Hg
data:
MERCURY
S   1
  1     12.997600000            1.0000000        
S   1
  1      8.2068100000           1.0000000        
S   1
  1      5.6497400000           1.0000000        
S   1
  1      3.8572200000           1.0000000        
S   1
  1      2.2690900000           1.0000000        
S   1
  1      1.2752600000           1.0000000        
S   1
  1      0.72288500000          1.0000000        
S   1
  1      0.34353600000          1.0000000        
S   1
  1      0.14135300000          1.0000000        
S   1
  1      0.71478800000E-01            1.0000000        
S   1
  1      0.37404100000E-01            1.0000000        
P   1
  1     11.273700000            1.0000000        
P   1
  1      6.7369500000           1.0000000        
P   1
  1      4.5641300000           1.0000000        
P   1
  1      3.0330300000           1.0000000        
P   1
  1      1.9881900000           1.0000000        
P   1
  1      0.99853200000          1.0000000        
P   1
  1      0.56951100000          1.0000000        
P   1
  1      0.31871100000          1.0000000        
P   1
  1      0.18496300000          1.0000000        
P   1
  1      0.94862900000E-01            1.0000000        
P   1
  1      0.46846800000E-01            1.0000000        
D   1
  1     12.025800000            1.0000000        
D   1
  1      7.1421300000           1.0000000        
D   1
  1      4.3584200000           1.0000000        
D   1
  1      2.5292400000           1.0000000        
D   1
  1      1.7534300000           1.0000000        
D   1
  1      0.92418100000          1.0000000        
D   1
  1      0.51953900000          1.0000000        
D   1
  1      0.29526300000          1.0000000        
D   1
  1      0.15877800000          1.0000000        
D   1
  1      0.86696500000E-01            1.0000000        
F   1
  1      6.8488800000           1.0000000        
F   1
  1      4.4486600000           1.0000000        
F   1
  1      3.1755500000           1.0000000        
F   1
  1      1.9165300000           1.0000000        
F   1
  1      1.0813500000           1.0000000        
F   1
  1      0.57171100000          1.0000000        
F   1
  1      0.31834000000          1.0000000        
F   1
  1      0.16079500000          1.0000000        
G   1
  1     14.102900000            1.0000000        
G   1
  1      5.3442000000           1.0000000        
G   1
  1      3.6269900000           1.0000000        
G   1
  1      2.0753800000           1.0000000        
G   1
  1      1.0357100000           1.0000000        
G   1
  1      0.60361000000          1.0000000        
G   1
  1      0.25267200000          1.0000000        
H   1
  1      6.8087500000           1.0000000        
H   1
  1      4.7189400000           1.0000000        
H   1
  1      2.8548800000           1.0000000        
H   1
  1      1.5470700000           1.0000000        
H   1
  1      0.71701200000          1.0000000        
I   1
  1      3.3561900000           1.0000000        
I   1
  1      2.3132300000           1.0000000        
I   1
  1      1.2603800000           1.0000000        
K   1
  1      4.3130900000           1.0000000        
K   1
  1      2.1283100000           1.0000000        


name: cc-pVQZ-PP-RI
elt: Tl
data:
THALLIUM
S   1
  1     10.688900000            1.0000000        
S   1
  1      8.4194300000           1.0000000        
S   1
  1      6.3905900000           1.0000000        
S   1
  1      3.7307500000           1.0000000        
S   1
  1      1.7840900000           1.0000000        
S   1
  1      0.69297500000          1.0000000        
S   1
  1      0.45718300000          1.0000000        
S   1
  1      0.30732800000          1.0000000        
S   1
  1      0.16952500000          1.0000000        
S   1
  1      0.10019700000          1.0000000        
S   1
  1      0.43859400000E-01            1.0000000        
P   1
  1     12.312400000            1.0000000        
P   1
  1     10.015300000            1.0000000        
P   1
  1      7.9146600000           1.0000000        
P   1
  1      4.5571100000           1.0000000        
P   1
  1      2.0249600000           1.0000000        
P   1
  1      1.1424000000           1.0000000        
P   1
  1      0.61235000000          1.0000000        
P   1
  1      0.38663400000          1.0000000        
P   1
  1      0.24582100000          1.0000000        
P   1
  1      0.13665800000          1.0000000        
P   1
  1      0.75494900000E-01            1.0000000        
D   1
  1      9.8785500000           1.0000000        
D   1
  1      7.0045700000           1.0000000        
D   1
  1      3.5140300000           1.0000000        
D   1
  1      1.4695700000           1.0000000        
D   1
  1      0.89183200000          1.0000000        
D   1
  1      0.43265400000          1.0000000        
D   1
  1      0.23926600000          1.0000000        
D   1
  1      0.15560800000          1.0000000        
D   1
  1      0.80195800000E-01            1.0000000        
F   1
  1      5.0224300000           1.0000000        
F   1
  1      3.8713700000           1.0000000        
F   1
  1      1.7254300000           1.0000000        
F   1
  1      0.52396100000          1.0000000        
F   1
  1      0.85357300000          1.0000000        
F   1
  1      0.27317100000          1.0000000        
F   1
  1      0.12012400000          1.0000000        
G   1
  1      2.6743200000           1.0000000        
G   1
  1      1.7888200000           1.0000000        
G   1
  1      0.66407500000          1.0000000        
G   1
  1      0.50671100000          1.0000000        
G   1
  1      0.24160400000          1.0000000        
H   1
  1      1.8486800000           1.0000000        
H   1
  1      0.89514300000          1.0000000        
H   1
  1      0.44801200000          1.0000000        
I   1
  1      1.5706700000           1.0000000        
I   1
  1      0.73927600000          1.0000000        


name: cc-pVQZ-PP-RI
elt: Pb
data:
LEAD
S   1
  1     10.707800000            1.0000000        
S   1
  1      8.4249800000           1.0000000        
S   1
  1      6.3625800000           1.0000000        
S   1
  1      3.6864400000           1.0000000        
S   1
  1      1.7651500000           1.0000000        
S   1
  1      0.70050500000          1.0000000        
S   1
  1      0.45728700000          1.0000000        
S   1
  1      0.30730300000          1.0000000        
S   1
  1      0.16952700000          1.0000000        
S   1
  1      0.10024500000          1.0000000        
S   1
  1      0.43867500000E-01            1.0000000        
P   1
  1     12.304900000            1.0000000        
P   1
  1     10.011500000            1.0000000        
P   1
  1      7.9146800000           1.0000000        
P   1
  1      4.5804200000           1.0000000        
P   1
  1      2.0223400000           1.0000000        
P   1
  1      1.1420900000           1.0000000        
P   1
  1      0.60957300000          1.0000000        
P   1
  1      0.38845500000          1.0000000        
P   1
  1      0.25003900000          1.0000000        
P   1
  1      0.13468800000          1.0000000        
P   1
  1      0.72469900000E-01            1.0000000        
D   1
  1     10.162800000            1.0000000        
D   1
  1      7.1847800000           1.0000000        
D   1
  1      3.7987100000           1.0000000        
D   1
  1      1.6999700000           1.0000000        
D   1
  1      1.0074000000           1.0000000        
D   1
  1      0.50349600000          1.0000000        
D   1
  1      0.28857400000          1.0000000        
D   1
  1      0.17743500000          1.0000000        
D   1
  1      0.90102800000E-01            1.0000000        
F   1
  1      5.3828100000           1.0000000        
F   1
  1      4.0450600000           1.0000000        
F   1
  1      1.7761700000           1.0000000        
F   1
  1      0.53895200000          1.0000000        
F   1
  1      0.90901100000          1.0000000        
F   1
  1      0.28901100000          1.0000000        
F   1
  1      0.14319700000          1.0000000        
G   1
  1      2.9109000000           1.0000000        
G   1
  1      1.8900000000           1.0000000        
G   1
  1      0.74511200000          1.0000000        
G   1
  1      0.54302600000          1.0000000        
G   1
  1      0.27015300000          1.0000000        
H   1
  1      2.0266400000           1.0000000        
H   1
  1      0.98754700000          1.0000000        
H   1
  1      0.49566700000          1.0000000        
I   1
  1      1.6812100000           1.0000000        
I   1
  1      0.80261200000          1.0000000        


name: cc-pVQZ-PP-RI
elt: Bi
data:
BISMUTH
S   1
  1     11.518200000            1.0000000        
S   1
  1      8.9961100000           1.0000000        
S   1
  1      6.6858500000           1.0000000        
S   1
  1      3.7213700000           1.0000000        
S   1
  1      1.7708300000           1.0000000        
S   1
  1      0.75800500000          1.0000000        
S   1
  1      0.50095600000          1.0000000        
S   1
  1      0.32617300000          1.0000000        
S   1
  1      0.16254800000          1.0000000        
S   1
  1      0.91980300000E-01            1.0000000        
S   1
  1      0.42489400000E-01            1.0000000        
P   1
  1     11.949000000            1.0000000        
P   1
  1      9.6500200000           1.0000000        
P   1
  1      7.5978700000           1.0000000        
P   1
  1      4.4577300000           1.0000000        
P   1
  1      2.0260800000           1.0000000        
P   1
  1      1.1554200000           1.0000000        
P   1
  1      0.63689600000          1.0000000        
P   1
  1      0.41492500000          1.0000000        
P   1
  1      0.26769300000          1.0000000        
P   1
  1      0.13779500000          1.0000000        
P   1
  1      0.67288000000E-01            1.0000000        
D   1
  1     10.490000000            1.0000000        
D   1
  1      7.4026300000           1.0000000        
D   1
  1      4.1663000000           1.0000000        
D   1
  1      1.9728600000           1.0000000        
D   1
  1      1.1331000000           1.0000000        
D   1
  1      0.66748700000          1.0000000        
D   1
  1      0.39604200000          1.0000000        
D   1
  1      0.21669800000          1.0000000        
D   1
  1      0.10393600000          1.0000000        
F   1
  1      5.7218300000           1.0000000        
F   1
  1      4.3997900000           1.0000000        
F   1
  1      2.1928200000           1.0000000        
F   1
  1      0.67217200000          1.0000000        
F   1
  1      1.1397800000           1.0000000        
F   1
  1      0.38692900000          1.0000000        
F   1
  1      0.19329400000          1.0000000        
G   1
  1      3.2124800000           1.0000000        
G   1
  1      1.8576600000           1.0000000        
G   1
  1      0.95638200000          1.0000000        
G   1
  1      0.63324100000          1.0000000        
G   1
  1      0.32337400000          1.0000000        
H   1
  1      2.2211400000           1.0000000        
H   1
  1      1.1174400000           1.0000000        
H   1
  1      0.55727800000          1.0000000        
I   1
  1      1.7276300000           1.0000000        
I   1
  1      0.85420200000          1.0000000        


name: cc-pVQZ-PP-RI
elt: Po
data:
POLONIUM
S   1
  1     11.128500000            1.0000000        
S   1
  1      8.8966800000           1.0000000        
S   1
  1      6.8338300000           1.0000000        
S   1
  1      3.9338700000           1.0000000        
S   1
  1      1.8441600000           1.0000000        
S   1
  1      0.83321100000          1.0000000        
S   1
  1      0.57196800000          1.0000000        
S   1
  1      0.37604500000          1.0000000        
S   1
  1      0.17710800000          1.0000000        
S   1
  1      0.95314500000E-01            1.0000000        
S   1
  1      0.42664300000E-01            1.0000000        
P   1
  1     12.372600000            1.0000000        
P   1
  1     10.196900000            1.0000000        
P   1
  1      8.1626300000           1.0000000        
P   1
  1      4.7070100000           1.0000000        
P   1
  1      2.0142000000           1.0000000        
P   1
  1      1.1304800000           1.0000000        
P   1
  1      0.64090900000          1.0000000        
P   1
  1      0.43540900000          1.0000000        
P   1
  1      0.28967000000          1.0000000        
P   1
  1      0.14844600000          1.0000000        
P   1
  1      0.68069600000E-01            1.0000000        
D   1
  1     10.623300000            1.0000000        
D   1
  1      7.7556000000           1.0000000        
D   1
  1      4.4494500000           1.0000000        
D   1
  1      2.0059600000           1.0000000        
D   1
  1      1.1306300000           1.0000000        
D   1
  1      0.65132100000          1.0000000        
D   1
  1      0.40639400000          1.0000000        
D   1
  1      0.23640200000          1.0000000        
D   1
  1      0.11248000000          1.0000000        
F   1
  1      5.9416900000           1.0000000        
F   1
  1      4.6107800000           1.0000000        
F   1
  1      2.0375700000           1.0000000        
F   1
  1      0.64916300000          1.0000000        
F   1
  1      1.1426100000           1.0000000        
F   1
  1      0.36883900000          1.0000000        
F   1
  1      0.19515600000          1.0000000        
G   1
  1      3.3595200000           1.0000000        
G   1
  1      1.9991600000           1.0000000        
G   1
  1      0.91869600000          1.0000000        
G   1
  1      0.61723300000          1.0000000        
G   1
  1      0.31581400000          1.0000000        
H   1
  1      2.2021200000           1.0000000        
H   1
  1      1.1043000000           1.0000000        
H   1
  1      0.56482100000          1.0000000        
I   1
  1      1.7280000000           1.0000000        
I   1
  1      0.85200100000          1.0000000        


name: cc-pVQZ-PP-RI
elt: At
data:
ASTATINE
S   1
  1     11.210100000            1.0000000        
S   1
  1      9.1311200000           1.0000000        
S   1
  1      7.3055400000           1.0000000        
S   1
  1      4.3825100000           1.0000000        
S   1
  1      1.9439500000           1.0000000        
S   1
  1      0.90232400000          1.0000000        
S   1
  1      0.64366500000          1.0000000        
S   1
  1      0.43531700000          1.0000000        
S   1
  1      0.20041400000          1.0000000        
S   1
  1      0.10187800000          1.0000000        
S   1
  1      0.42888900000E-01            1.0000000        
P   1
  1     12.724100000            1.0000000        
P   1
  1     10.685400000            1.0000000        
P   1
  1      8.6577000000           1.0000000        
P   1
  1      4.8022200000           1.0000000        
P   1
  1      2.1487200000           1.0000000        
P   1
  1      1.1836000000           1.0000000        
P   1
  1      0.64880300000          1.0000000        
P   1
  1      0.45031700000          1.0000000        
P   1
  1      0.30665100000          1.0000000        
P   1
  1      0.16005200000          1.0000000        
P   1
  1      0.68813500000E-01            1.0000000        
D   1
  1     10.800100000            1.0000000        
D   1
  1      8.0760700000           1.0000000        
D   1
  1      4.6998800000           1.0000000        
D   1
  1      2.1288000000           1.0000000        
D   1
  1      1.1808300000           1.0000000        
D   1
  1      0.71078300000          1.0000000        
D   1
  1      0.46518500000          1.0000000        
D   1
  1      0.27430200000          1.0000000        
D   1
  1      0.12500300000          1.0000000        
F   1
  1      6.5154500000           1.0000000        
F   1
  1      5.1668100000           1.0000000        
F   1
  1      1.8819000000           1.0000000        
F   1
  1      0.69309800000          1.0000000        
F   1
  1      1.1018900000           1.0000000        
F   1
  1      0.43334700000          1.0000000        
F   1
  1      0.22946500000          1.0000000        
G   1
  1      3.5781900000           1.0000000        
G   1
  1      2.1318700000           1.0000000        
G   1
  1      0.98815900000          1.0000000        
G   1
  1      0.66737800000          1.0000000        
G   1
  1      0.36063200000          1.0000000        
H   1
  1      2.2764300000           1.0000000        
H   1
  1      1.1572300000           1.0000000        
H   1
  1      0.61491500000          1.0000000        
I   1
  1      1.8018400000           1.0000000        
I   1
  1      0.90143400000          1.0000000        


name: cc-pVQZ-PP-RI
elt: Rn
data:
RADON
S   1
  1     11.139600000            1.0000000        
S   1
  1      9.3006700000           1.0000000        
S   1
  1      7.6390400000           1.0000000        
S   1
  1      4.7359100000           1.0000000        
S   1
  1      2.0062400000           1.0000000        
S   1
  1      0.95381400000          1.0000000        
S   1
  1      0.69588700000          1.0000000        
S   1
  1      0.47960900000          1.0000000        
S   1
  1      0.22201200000          1.0000000        
S   1
  1      0.10919600000          1.0000000        
S   1
  1      0.43289700000E-01            1.0000000        
P   1
  1     12.932700000            1.0000000        
P   1
  1     11.028600000            1.0000000        
P   1
  1      9.0479800000           1.0000000        
P   1
  1      4.8598000000           1.0000000        
P   1
  1      2.2680700000           1.0000000        
P   1
  1      1.2683900000           1.0000000        
P   1
  1      0.69195700000          1.0000000        
P   1
  1      0.47488500000          1.0000000        
P   1
  1      0.31875100000          1.0000000        
P   1
  1      0.16643700000          1.0000000        
P   1
  1      0.69370800000E-01            1.0000000        
D   1
  1     10.926100000            1.0000000        
D   1
  1      8.4791700000           1.0000000        
D   1
  1      4.9696000000           1.0000000        
D   1
  1      2.2671300000           1.0000000        
D   1
  1      1.2493200000           1.0000000        
D   1
  1      0.72777600000          1.0000000        
D   1
  1      0.50028300000          1.0000000        
D   1
  1      0.30618800000          1.0000000        
D   1
  1      0.13837600000          1.0000000        
F   1
  1      7.0847900000           1.0000000        
F   1
  1      5.6765800000           1.0000000        
F   1
  1      1.9699000000           1.0000000        
F   1
  1      0.68716600000          1.0000000        
F   1
  1      1.0767100000           1.0000000        
F   1
  1      0.46882600000          1.0000000        
F   1
  1      0.27023900000          1.0000000        
G   1
  1      3.8082400000           1.0000000        
G   1
  1      2.2885100000           1.0000000        
G   1
  1      1.0357100000           1.0000000        
G   1
  1      0.70800700000          1.0000000        
G   1
  1      0.41411100000          1.0000000        
H   1
  1      2.4527600000           1.0000000        
H   1
  1      1.2444600000           1.0000000        
H   1
  1      0.67633000000          1.0000000        
I   1
  1      1.9368900000           1.0000000        
I   1
  1      0.96977300000          1.0000000        


name: 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        
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        
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        
F   1
  1      5.865000E-01           1.0000000        
F   1
  1      2.494000E-01           1.0000000        
G   1
  1      4.730000E-01           1.0000000        


name: cc-pVQZ-NR
description: QZ3P All-electron non-relativistic Valence Quadruple Zeta + Polarization
elt: Sc
data:
SCANDIUM
S   21
  1 8417909.0000000             1.981292E-06     
  2 1260312.0000000             1.540697E-05     
  3 286798.4000000              8.106065E-05     
  4  81234.6900000              0.0003423943     
  5  26503.1100000              0.00124699       
  6   9568.7010000              0.004056425      
  7   3732.4970000              0.01200596       
  8   1548.4220000              0.03235944       
  9    675.5420000              0.07819972       
 10    307.2522000              0.1617396        
 11    144.6672000              0.2618480        
 12     70.0438700              0.2748284        
 13     34.3225000              0.1419647        
 14     15.6122400              0.07046176       
 15      7.7437220              0.1288392        
 16      3.8442600              0.09269352       
 17      1.7197660              0.01229949       
 18      0.8325230             -0.0004588239     
 19      0.3855640              0.0001722703     
 20      0.0967000             -5.410745E-05     
 21      0.0477780              4.892875E-05     
S   21
  1 8417909.0000000            -1.147926E-06     
  2 1260312.0000000            -8.929259E-06     
  3 286798.4000000             -4.696382E-05     
  4  81234.6900000             -0.0001985315     
  5  26503.1100000             -0.0007230932     
  6   9568.7010000             -0.002358822      
  7   3732.4970000             -0.007008148      
  8   1548.4220000             -0.01912407       
  9    675.5420000             -0.04728922       
 10    307.2522000             -0.1032480        
 11    144.6672000             -0.1861960        
 12     70.0438700             -0.2480547        
 13     34.3225000             -0.1614781        
 14     15.6122400              0.1779183        
 15      7.7437220              0.5324076        
 16      3.8442600              0.3752830        
 17      1.7197660              0.05198123       
 18      0.8325230             -0.004029053      
 19      0.3855640              0.0003794092     
 20      0.0967000             -0.0004006692     
 21      0.0477780              0.0003219248     
S   21
  1 8417909.0000000             2.221960E-07     
  2 1260312.0000000             1.729799E-06     
  3 286798.4000000              9.088001E-06     
  4  81234.6900000              3.848622E-05     
  5  26503.1100000              0.0001399997     
  6   9568.7010000              0.0004585975     
  7   3732.4970000              0.001364588      
  8   1548.4220000              0.003773739      
  9    675.5420000              0.009493887      
 10    307.2522000              0.02174611       
 11    144.6672000              0.04228528       
 12     70.0438700              0.0654061        
 13     34.3225000              0.04759732       
 14     15.6122400             -0.0816033        
 15      7.7437220             -0.3283980        
 16      3.8442600             -0.3654561        
 17      1.7197660              0.2102218        
 18      0.8325230              0.6856793        
 19      0.3855640              0.3684308        
 20      0.0967000              0.02050798       
 21      0.0477780             -0.006410776      
S   21
  1 8417909.0000000            -5.350285E-08     
  2 1260312.0000000            -4.164419E-07     
  3 286798.4000000             -2.188499E-06     
  4  81234.6900000             -9.264628E-06     
  5  26503.1100000             -3.371711E-05     
  6   9568.7010000             -0.0001103886     
  7   3732.4970000             -0.0003287051     
  8   1548.4220000             -0.000908425      
  9    675.5420000             -0.002288204      
 10    307.2522000             -0.005238462      
 11    144.6672000             -0.01021547       
 12     70.0438700             -0.01581707       
 13     34.3225000             -0.01162945       
 14     15.6122400              0.02013432       
 15      7.7437220              0.08405086       
 16      3.8442600              0.0984825        
 17      1.7197660             -0.06838523       
 18      0.8325230             -0.2353627        
 19      0.3855640             -0.2776984        
 20      0.0967000              0.2987423        
 21      0.0477780              0.6193723        
S   21
  1 8417909.0000000            -9.140993E-08     
  2 1260312.0000000            -7.270775E-07     
  3 286798.4000000             -3.702449E-06     
  4  81234.6900000             -1.633468E-05     
  5  26503.1100000             -5.64236E-05      
  6   9568.7010000             -0.000196819      
  7   3732.4970000             -0.0005428811     
  8   1548.4220000             -0.001642692      
  9    675.5420000             -0.003709752      
 10    307.2522000             -0.009699229      
 11    144.6672000             -0.0158935        
 12     70.0438700             -0.03149937       
 13     34.3225000             -0.0115392        
 14     15.6122400              0.01426789       
 15      7.7437220              0.1977719        
 16      3.8442600              0.09493216       
 17      1.7197660              0.0267895        
 18      0.8325230             -0.9351082        
 19      0.3855640              0.1820725        
 20      0.0967000              2.0774230        
 21      0.0477780             -1.1139440        
S   21
  1 8417909.0000000            -1.445075E-07     
  2 1260312.0000000            -1.167681E-06     
  3 286798.4000000             -5.810201E-06     
  4  81234.6900000             -2.64162E-05      
  5  26503.1100000             -8.781407E-05     
  6   9568.7010000             -0.0003207912     
  7   3732.4970000             -0.000836375      
  8   1548.4220000             -0.00270364       
  9    675.5420000             -0.00563396       
 10    307.2522000             -0.01622651       
 11    144.6672000             -0.02336426       
 12     70.0438700             -0.05523292       
 13     34.3225000             -0.008807771      
 14     15.6122400             -0.0002060869     
 15      7.7437220              0.3882857        
 16      3.8442600              0.0974343        
 17      1.7197660              0.006858569      
 18      0.8325230             -2.3215700        
 19      0.3855640              2.6665800        
 20      0.0967000              0.1898281        
 21      0.0477780             -2.6840650        
S   21
  1 8417909.0000000            -1.607992E-07     
  2 1260312.0000000            -1.216461E-06     
  3 286798.4000000             -6.659894E-06     
  4  81234.6900000             -2.670499E-05     
  5  26503.1100000             -0.0001039947     
  6   9568.7010000             -0.0003133995     
  7   3732.4970000             -0.001029884      
  8   1548.4220000             -0.002530633      
  9    675.5420000             -0.007335917      
 10    307.2522000             -0.01414587       
 11    144.6672000             -0.03451496       
 12     70.0438700             -0.03859251       
 13     34.3225000             -0.05560506       
 14     15.6122400              0.1025062        
 15      7.7437220              0.2265527        
 16      3.8442600              0.6017289        
 17      1.7197660             -1.4029740        
 18      0.8325230             -0.8478364        
 19      0.3855640              3.0947890        
 20      0.0967000             -5.7927330        
 21      0.0477780              6.9441580        
S   1
  1      0.0223630              1.0000000        
P   17
  1  22640.9700000              0.0000120        
  2   5357.5450000              0.0001070        
  3   1740.3730000              0.0006250        
  4    666.6163000              0.0028300        
  5    283.6384000              0.0105300        
  6    129.7976000              0.0328810        
  7     62.6795600              0.0858840        
  8     31.5044100              0.1800300        
  9     16.2352500              0.2892240        
 10      8.5183240              0.3279100        
 11      4.5190050              0.2101980        
 12      2.3665910              0.0546800        
 13      1.2152350              0.0018530        
 14      0.6143480             -0.0014170        
 15      0.3007450             -0.0009530        
 16      0.1260040             -0.0000510        
 17      0.0548400             -0.0000210        
P   17
  1  22640.9700000             -0.0000040        
  2   5357.5450000             -0.0000350        
  3   1740.3730000             -0.0002050        
  4    666.6163000             -0.0009320        
  5    283.6384000             -0.0034840        
  6    129.7976000             -0.0110190        
  7     62.6795600             -0.0294150        
  8     31.5044100             -0.0637130        
  9     16.2352500             -0.1060850        
 10      8.5183240             -0.1286380        
 11      4.5190050             -0.0530120        
 12      2.3665910              0.1740260        
 13      1.2152350              0.3925500        
 14      0.6143480              0.3965140        
 15      0.3007450              0.1765440        
 16      0.1260040              0.0191110        
 17      0.0548400              0.0000750        
P   17
  1  22640.9700000              0.0000010        
  2   5357.5450000              0.0000090        
  3   1740.3730000              0.0000500        
  4    666.6163000              0.0002270        
  5    283.6384000              0.0008530        
  6    129.7976000              0.0026860        
  7     62.6795600              0.0072250        
  8     31.5044100              0.0155900        
  9     16.2352500              0.0263030        
 10      8.5183240              0.0317770        
 11      4.5190050              0.0124830        
 12      2.3665910             -0.0526270        
 13      1.2152350             -0.1140250        
 14      0.6143480             -0.1463710        
 15      0.3007450             -0.0138630        
 16      0.1260040              0.3524440        
 17      0.0548400              0.5504540        
P   17
  1  22640.9700000              0.0000010        
  2   5357.5450000              0.0000100        
  3   1740.3730000              0.0000600        
  4    666.6163000              0.0002740        
  5    283.6384000              0.0010250        
  6    129.7976000              0.0032500        
  7     62.6795600              0.0086740        
  8     31.5044100              0.0188660        
  9     16.2352500              0.0314660        
 10      8.5183240              0.0386630        
 11      4.5190050              0.0149230        
 12      2.3665910             -0.0596700        
 13      1.2152350             -0.1347060        
 14      0.6143480             -0.1728090        
 15      0.3007450             -0.0806980        
 16      0.1260040              0.5542640        
 17      0.0548400              0.5500070        
P   17
  1  22640.9700000              0.0000020        
  2   5357.5450000              0.0000200        
  3   1740.3730000              0.0001280        
  4    666.6163000              0.0005340        
  5    283.6384000              0.0021640        
  6    129.7976000              0.0063070        
  7     62.6795600              0.0183770        
  8     31.5044100              0.0360160        
  9     16.2352500              0.0694300        
 10      8.5183240              0.0719490        
 11      4.5190050              0.0577890        
 12      2.3665910             -0.1752840        
 13      1.2152350             -0.3373290        
 14      0.6143480             -0.5644270        
 15      0.3007450              1.1633800        
 16      0.1260040              0.5658350        
 17      0.0548400             -0.9715060        
P   17
  1  22640.9700000             -0.0000020        
  2   5357.5450000             -0.0000290        
  3   1740.3730000             -0.0001300        
  4    666.6163000             -0.0007520        
  5    283.6384000             -0.0022120        
  6    129.7976000             -0.0088930        
  7     62.6795600             -0.0182620        
  8     31.5044100             -0.0530410        
  9     16.2352500             -0.0599390        
 10      8.5183240             -0.1556420        
 11      4.5190050              0.0095720        
 12      2.3665910              0.0918980        
 13      1.2152350              1.2567100        
 14      0.6143480             -1.0111150        
 15      0.3007450             -1.3688360        
 16      0.1260040              2.3777820        
 17      0.0548400             -1.1539840        
P   1
  1      0.0235570              1.0000000        
D   10
  1    145.4680000              0.0004940        
  2     43.4188000              0.0041980        
  3     16.5768000              0.0189670        
  4      6.9711100              0.0584080        
  5      3.1334700              0.1376050        
  6      1.4576800              0.2314700        
  7      0.6745380              0.2965300        
  8      0.3051620              0.3052000        
  9      0.1341130              0.2380750        
 10      0.0572700              0.1073860        
D   10
  1    145.4680000             -0.0005050        
  2     43.4188000             -0.0042930        
  3     16.5768000             -0.0194750        
  4      6.9711100             -0.0606310        
  5      3.1334700             -0.1436610        
  6      1.4576800             -0.2292940        
  7      0.6745380             -0.2619730        
  8      0.3051620             -0.0530060        
  9      0.1341130              0.4119990        
 10      0.0572700              0.4831900        
D   10
  1    145.4680000             -0.0006670        
  2     43.4188000             -0.0055930        
  3     16.5768000             -0.0259900        
  4      6.9711100             -0.0791400        
  5      3.1334700             -0.1936220        
  6      1.4576800             -0.2899810        
  7      0.6745380             -0.1702510        
  8      0.3051620              0.6126870        
  9      0.1341130              0.4817940        
 10      0.0572700             -0.6794480        
D   10
  1    145.4680000              0.0008360        
  2     43.4188000              0.0084950        
  3     16.5768000              0.0334810        
  4      6.9711100              0.1270110        
  5      3.1334700              0.2482810        
  6      1.4576800              0.4455630        
  7      0.6745380             -0.5406450        
  8      0.3051620             -0.8783940        
  9      0.1341130              1.4431180        
 10      0.0572700             -0.4690810        
D   1
  1      0.0233540              1.0000000        
F   1
  1      1.4167000              1.0000000        
F   1
  1      0.3992000              1.0000000        
F   1
  1      0.1125000              1.0000000        
G   1
  1      0.9963000              1.0000000        
G   1
  1      0.2573000              1.0000000        
H   1
  1      0.5016000              1.0000000        


name: cc-pVQZ-NR
description: QZ3P All-electron non-relativistic Valence Quadruple Zeta + Polarization
elt: Zn
data:
ZINC
S   21
  1      0.1785293E+08          2.106603E-06     
  2 2673038.0000000             1.638051E-05     
  3 608324.4000000              8.617178E-05     
  4 172317.6000000              0.0003640028     
  5  56222.6900000              0.001325778      
  6  20299.8500000              0.004315394      
  7   7918.8710000              0.01278917       
  8   3285.3400000              0.03459541       
  9   1433.5240000              0.08423468       
 10    652.2889000              0.1769497        
 11    307.4360000              0.2947718        
 12    149.1466000              0.3286054        
 13     73.4510800              0.1837326        
 14     33.9256200              0.0284564        
 15     17.1894700             -0.001562471      
 16      8.6665950              0.001057694      
 17      3.9725050             -0.0004832147     
 18      1.8946650              0.0001795943     
 19      0.8593850             -7.198366E-05     
 20      0.1952560              2.200105E-05     
 21      0.0858540             -1.56551E-05      
S   21
  1      0.1785293E+08         -6.503871E-07     
  2 2673038.0000000            -5.059606E-06     
  3 608324.4000000             -2.660362E-05     
  4 172317.6000000             -0.0001125168     
  5  56222.6900000             -0.0004098844     
  6  20299.8500000             -0.001340085      
  7   7918.8710000             -0.003996271      
  8   3285.3400000             -0.01102397       
  9   1433.5240000             -0.02783658       
 10    652.2889000             -0.0635220        
 11    307.4360000             -0.1235647        
 12    149.1466000             -0.1860330        
 13     73.4510800             -0.1345412        
 14     33.9256200              0.2026370        
 15     17.1894700              0.5627948        
 16      8.6665950              0.3687315        
 17      3.9725050              0.05055865       
 18      1.8946650             -0.00028561       
 19      0.8593850              0.001213965      
 20      0.1952560             -0.0001706895     
 21      0.0858540              0.0001266229     
S   21
  1      0.1785293E+08          2.455424E-07     
  2 2673038.0000000             1.911263E-06     
  3 608324.4000000              1.004137E-05     
  4 172317.6000000              4.25171E-05      
  5  56222.6900000              0.0001546957     
  6  20299.8500000              0.0005068054     
  7   7918.8710000              0.001509742      
  8   3285.3400000              0.004183744      
  9   1433.5240000              0.01058425       
 10    652.2889000              0.02447935       
 11    307.4360000              0.04837945       
 12    149.1466000              0.07630985       
 13     73.4510800              0.05798021       
 14     33.9256200             -0.1010517        
 15     17.1894700             -0.3950702        
 16      8.6665950             -0.3534286        
 17      3.9725050              0.3070109        
 18      1.8946650              0.6935144        
 19      0.8593850              0.3040583        
 20      0.1952560              0.01003318       
 21      0.0858540             -0.004007622      
S   21
  1      0.1785293E+08          4.916948E-08     
  2 2673038.0000000             3.829348E-07     
  3 608324.4000000              2.010287E-06     
  4 172317.6000000              8.520784E-06     
  5  56222.6900000              3.096268E-05     
  6  20299.8500000              0.000101604      
  7   7918.8710000              0.0003021322     
  8   3285.3400000              0.0008393851     
  9   1433.5240000              0.00211904       
 10    652.2889000              0.004923291      
 11    307.4360000              0.009713665      
 12    149.1466000              0.01549413       
 13     73.4510800              0.0117057        
 14     33.9256200             -0.02068558       
 15     17.1894700             -0.08652477       
 16      8.6665950             -0.07840824       
 17      3.9725050              0.07950591       
 18      1.8946650              0.2182560        
 19      0.8593850              0.1957366        
 20      0.1952560             -0.3195337        
 21      0.0858540             -0.5833695        
S   21
  1      0.1785293E+08         -1.379282E-07     
  2 2673038.0000000            -1.098688E-06     
  3 608324.4000000             -5.581627E-06     
  4 172317.6000000             -2.469757E-05     
  5  56222.6900000             -8.4997E-05       
  6  20299.8500000             -0.000297955      
  7   7918.8710000             -0.0008180999     
  8   3285.3400000             -0.002498043      
  9   1433.5240000             -0.005630866      
 10    652.2889000             -0.01501607       
 11    307.4360000             -0.02479935       
 12    149.1466000             -0.05092472       
 13     73.4510800             -0.01923797       
 14     33.9256200              0.0248084        
 15     17.1894700              0.3402582        
 16      8.6665950              0.1317501        
 17      3.9725050             -0.2092734        
 18      1.8946650             -1.2899700        
 19      0.8593850              0.9898685        
 20      0.1952560              1.4779600        
 21      0.0858540             -1.2347640        
S   21
  1      0.1785293E+08         -1.951222E-07     
  2 2673038.0000000            -1.513488E-06     
  3 608324.4000000             -7.991991E-06     
  4 172317.6000000             -3.361493E-05     
  5  56222.6900000             -0.0001233416     
  6  20299.8500000             -0.0004000292     
  7   7918.8710000             -0.001206705      
  8   3285.3400000             -0.003298144      
  9   1433.5240000             -0.008503531      
 10    652.2889000             -0.01932075       
 11    307.4360000             -0.0395118        
 12    149.1466000             -0.06074193       
 13     73.4510800             -0.05154698       
 14     33.9256200              0.0906352        
 15     17.1894700              0.3930253        
 16      8.6665950              0.5283548        
 17      3.9725050             -1.4626110        
 18      1.8946650             -0.8366769        
 19      0.8593850              2.6151680        
 20      0.1952560             -2.2413220        
 21      0.0858540              0.7597394        
S   21
  1      0.1785293E+08         -2.631275E-07     
  2 2673038.0000000            -1.954514E-06     
  3 608324.4000000             -1.098059E-05     
  4 172317.6000000             -4.252529E-05     
  5  56222.6900000             -0.0001728905     
  6  20299.8500000             -0.0004940605     
  7   7918.8710000             -0.001731281      
  8   3285.3400000             -0.003952778      
  9   1433.5240000             -0.01260194       
 10    652.2889000             -0.02205362       
 11    307.4360000             -0.06268701       
 12    149.1466000             -0.05878225       
 13     73.4510800             -0.1200370        
 14     33.9256200              0.2236128        
 15     17.1894700              0.4980742        
 16      8.6665950              1.1915800        
 17      3.9725050             -5.6490630        
 18      1.8946650              6.8434890        
 19      0.8593850             -3.3201000        
 20      0.1952560             -0.2249601        
 21      0.0858540              1.9021540        
S   1
  1      0.0367810              1.0000000        
P   17
  1  52867.9300000              0.0000110        
  2  12511.7900000              0.0000940        
  3   4065.2860000              0.0005510        
  4   1557.5950000              0.0025110        
  5    663.2892000              0.0094700        
  6    304.1561000              0.0301690        
  7    147.3680000              0.0808550        
  8     74.4546900              0.1751390        
  9     38.7149300              0.2897160        
 10     20.5702200              0.3298490        
 11     11.0542500              0.2092940        
 12      5.8746610              0.0562590        
 13      3.0529360              0.0050520        
 14      1.5472250              0.0009970        
 15      0.7541510              0.0001870        
 16      0.2653490              0.0000510        
 17      0.1020670             -0.0000130        
P   17
  1  52867.9300000             -0.0000040        
  2  12511.7900000             -0.0000350        
  3   4065.2860000             -0.0002060        
  4   1557.5950000             -0.0009420        
  5    663.2892000             -0.0035700        
  6    304.1561000             -0.0115400        
  7    147.3680000             -0.0316520        
  8     74.4546900             -0.0712850        
  9     38.7149300             -0.1232840        
 10     20.5702200             -0.1476380        
 11     11.0542500             -0.0444770        
 12      5.8746610              0.2053650        
 13      3.0529360              0.4100860        
 14      1.5472250              0.3721450        
 15      0.7541510              0.1581180        
 16      0.2653490              0.0145400        
 17      0.1020670             -0.0016080        
P   17
  1  52867.9300000              0.0000010        
  2  12511.7900000              0.0000060        
  3   4065.2860000              0.0000380        
  4   1557.5950000              0.0001730        
  5    663.2892000              0.0006640        
  6    304.1561000              0.0021200        
  7    147.3680000              0.0059160        
  8     74.4546900              0.0131530        
  9     38.7149300              0.0233720        
 10     20.5702200              0.0272210        
 11     11.0542500              0.0083340        
 12      5.8746610             -0.0488600        
 13      3.0529360             -0.0888940        
 14      1.5472250             -0.1036180        
 15      0.7541510              0.0010510        
 16      0.2653490              0.3030640        
 17      0.1020670              0.5427240        
P   17
  1  52867.9300000              0.0000010        
  2  12511.7900000              0.0000110        
  3   4065.2860000              0.0000670        
  4   1557.5950000              0.0002960        
  5    663.2892000              0.0011570        
  6    304.1561000              0.0036340        
  7    147.3680000              0.0103070        
  8     74.4546900              0.0224820        
  9     38.7149300              0.0410330        
 10     20.5702200              0.0464600        
 11     11.0542500              0.0181460        
 12      5.8746610             -0.0943640        
 13      3.0529360             -0.1601770        
 14      1.5472250             -0.1808950        
 15      0.7541510              0.0948260        
 16      0.2653490              0.6291530        
 17      0.1020670              0.4083180        
P   17
  1  52867.9300000              0.0000030        
  2  12511.7900000              0.0000240        
  3   4065.2860000              0.0001590        
  4   1557.5950000              0.0006460        
  5    663.2892000              0.0027470        
  6    304.1561000              0.0079380        
  7    147.3680000              0.0246010        
  8     74.4546900              0.0485760        
  9     38.7149300              0.1006820        
 10     20.5702200              0.0984680        
 11     11.0542500              0.0862350        
 12      5.8746610             -0.3793800        
 13      3.0529360             -0.4203930        
 14      1.5472250             -0.1825620        
 15      0.7541510              1.1778870        
 16      0.2653490              0.0519740        
 17      0.1020670             -0.7444770        
P   17
  1  52867.9300000             -0.0000030        
  2  12511.7900000             -0.0000360        
  3   4065.2860000             -0.0001740        
  4   1557.5950000             -0.0009530        
  5    663.2892000             -0.0030470        
  6    304.1561000             -0.0117360        
  7    147.3680000             -0.0270160        
  8     74.4546900             -0.0747980        
  9     38.7149300             -0.0982370        
 10     20.5702200             -0.2150840        
 11     11.0542500             -0.0322140        
 12      5.8746610              0.7563080        
 13      3.0529360              0.7019320        
 14      1.5472250             -1.8141870        
 15      0.7541510              0.2914540        
 16      0.2653490              1.2956230        
 17      0.1020670             -1.0670890        
P   1
  1      0.0387550              1.0000000        
D   10
  1    639.7806000              0.0002080        
  2    192.6742000              0.0019540        
  3     74.8436800              0.0107110        
  4     32.8604800              0.0390570        
  5     15.3935300              0.1048480        
  6      7.5255120              0.2045690        
  7      3.7154290              0.2852080        
  8      1.8064590              0.3014460        
  9      0.8529730              0.2462280        
 10      0.3847800              0.1390160        
D   10
  1    639.7806000             -0.0002900        
  2    192.6742000             -0.0027380        
  3     74.8436800             -0.0151110        
  4     32.8604800             -0.0556430        
  5     15.3935300             -0.1558640        
  6      7.5255120             -0.3034890        
  7      3.7154290             -0.3062760        
  8      1.8064590              0.0333950        
  9      0.8529730              0.4000750        
 10      0.3847800              0.3899720        
D   10
  1    639.7806000             -0.0003170        
  2    192.6742000             -0.0030560        
  3     74.8436800             -0.0167530        
  4     32.8604800             -0.0627120        
  5     15.3935300             -0.1879800        
  6      7.5255120             -0.3720840        
  7      3.7154290             -0.0234390        
  8      1.8064590              0.6054700        
  9      0.8529730              0.3230630        
 10      0.3847800             -0.4713720        
D   10
  1    639.7806000              0.0004520        
  2    192.6742000              0.0038790        
  3     74.8436800              0.0235700        
  4     32.8604800              0.0825260        
  5     15.3935300              0.2972800        
  6      7.5255120              0.4368320        
  7      3.7154290             -0.6042900        
  8      1.8064590             -0.6746050        
  9      0.8529730              0.9387020        
 10      0.3847800              0.2779680        
D   1
  1      0.1593370              1.0000000        
F   1
  1      8.6960000              1.0000000        
F   1
  1      2.7236000              1.0000000        
F   1
  1      0.8530000              1.0000000        
G   1
  1      6.8933000              1.0000000        
G   1
  1      2.0693000              1.0000000        
H   1
  1      4.4136000              1.0000000        


name: cc-pVQZ-RI
description: N/A
elt: H
data:
HYDROGEN
S   1
  1     21.883533630            1.0000000        
S   1
  1      4.3089101700           1.0000000        
S   1
  1      1.1824834800           1.0000000        
S   1
  1      0.43311133000          1.0000000        
S   1
  1      0.22763540000          1.0000000        
P   1
  1      3.2286532800           1.0000000        
P   1
  1      1.2285682400           1.0000000        
P   1
  1      0.51629315000          1.0000000        
P   1
  1      0.22450816000          1.0000000        
D   1
  1      2.7781806400           1.0000000        
D   1
  1      1.0177100600           1.0000000        
D   1
  1      0.52759834000          1.0000000        
F   1
  1      1.8964329600           1.0000000        
F   1
  1      0.67193094000          1.0000000        
G   1
  1      2.1308826500           1.0000000        


name: cc-pVQZ-RI
description: N/A
elt: He
data:
HELIUM
S   1
  1     29.251976741            1.0000000        
S   1
  1      6.3479959175           1.0000000        
S   1
  1      3.0141166013           1.0000000        
S   1
  1      0.83396087296          1.0000000        
S   1
  1      0.47964730615          1.0000000        
P   1
  1      8.6905135631           1.0000000        
P   1
  1      2.5796767548           1.0000000        
P   1
  1      1.1943303704           1.0000000        
P   1
  1      0.71278867940          1.0000000        
D   1
  1      7.2944834617           1.0000000        
D   1
  1      4.3632208275           1.0000000        
D   1
  1      1.7345900404           1.0000000        
F   1
  1      4.3507069127           1.0000000        
F   1
  1      2.7082979618           1.0000000        


name: cc-pVQZ-RI
description: N/A
elt: Li
data:
LITHIUM
S   1
  1    109.05500000             1.0000000        
S   1
  1     20.878300000            1.0000000        
S   1
  1      6.4869900000           1.0000000        
S   1
  1      1.9545000000           1.0000000        
S   1
  1      1.0402300000           1.0000000        
S   1
  1      0.42907900000          1.0000000        
S   1
  1      0.16171800000          1.0000000        
S   1
  1      0.82928200000E-01            1.0000000        
P   1
  1     17.549400000            1.0000000        
P   1
  1      5.4442200000           1.0000000        
P   1
  1      1.8756100000           1.0000000        
P   1
  1      0.77520400000          1.0000000        
P   1
  1      0.37148400000          1.0000000        
P   1
  1      0.16320100000          1.0000000        
P   1
  1      0.76565000000E-01            1.0000000        
D   1
  1      6.8017900000           1.0000000        
D   1
  1      2.2172600000           1.0000000        
D   1
  1      1.0076000000           1.0000000        
D   1
  1      0.49780100000          1.0000000        
D   1
  1      0.20253200000          1.0000000        
D   1
  1      0.11806000000          1.0000000        
F   1
  1      2.7857900000           1.0000000        
F   1
  1      1.0344200000           1.0000000        
F   1
  1      0.53242100000          1.0000000        
F   1
  1      0.27741500000          1.0000000        
F   1
  1      0.11709000000          1.0000000        
G   1
  1      0.97357300000          1.0000000        
G   1
  1      0.41356300000          1.0000000        
G   1
  1      0.20346200000          1.0000000        
H   1
  1      0.42856500000          1.0000000        


name: cc-pVQZ-RI
description: N/A
elt: Be
data:
BERYLLIUM
S   1
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S   1
  1     28.392100000            1.0000000        
S   1
  1      8.6891800000           1.0000000        
S   1
  1      3.7802000000           1.0000000        
S   1
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S   1
  1      0.43064400000          1.0000000        
S   1
  1      0.18601000000          1.0000000        
S   1
  1      0.97390700000E-01            1.0000000        
P   1
  1     22.239400000            1.0000000        
P   1
  1      6.3815700000           1.0000000        
P   1
  1      2.5546000000           1.0000000        
P   1
  1      1.0159800000           1.0000000        
P   1
  1      0.44449500000          1.0000000        
P   1
  1      0.20183200000          1.0000000        
P   1
  1      0.94812700000E-01            1.0000000        
D   1
  1      8.4961300000           1.0000000        
D   1
  1      3.0427200000           1.0000000        
D   1
  1      1.1845100000           1.0000000        
D   1
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D   1
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D   1
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F   1
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F   1
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F   1
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F   1
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F   1
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G   1
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G   1
  1      0.53622000000          1.0000000        
G   1
  1      0.27284300000          1.0000000        
H   1
  1      0.53570400000          1.0000000        


name: cc-pVQZ-RI
description: N/A
elt: B
data:
BORON
S   1
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S   1
  1     32.881671170            1.0000000        
S   1
  1      7.6392597400           1.0000000        
S   1
  1      4.9011042100           1.0000000        
S   1
  1      1.6576127200           1.0000000        
S   1
  1      0.78359815000          1.0000000        
S   1
  1      0.32156487000          1.0000000        
S   1
  1      0.17201663000          1.0000000        
P   1
  1     39.926216980            1.0000000        
P   1
  1     10.022342580            1.0000000        
P   1
  1      3.7955219000           1.0000000        
P   1
  1      1.6873830300           1.0000000        
P   1
  1      0.73744111000          1.0000000        
P   1
  1      0.33659453000          1.0000000        
P   1
  1      0.15849230000          1.0000000        
D   1
  1     14.831087490            1.0000000        
D   1
  1      4.0532478900           1.0000000        
D   1
  1      1.3431361900           1.0000000        
D   1
  1      0.68046983000          1.0000000        
D   1
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D   1
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F   1
  1      4.2977569300           1.0000000        
F   1
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F   1
  1      1.0907308900           1.0000000        
F   1
  1      0.47390324000          1.0000000        
F   1
  1      0.21274953000          1.0000000        
G   1
  1      1.7049461000           1.0000000        
G   1
  1      0.87447217000          1.0000000        
G   1
  1      0.47441651000          1.0000000        
H   1
  1      0.96144483000          1.0000000        


name: cc-pVQZ-RI
description: N/A
elt: C
data:
CARBON
S   1
  1    221.30970816             1.0000000        
S   1
  1     47.118565820            1.0000000        
S   1
  1      9.1715267600           1.0000000        
S   1
  1      4.1791682300           1.0000000        
S   1
  1      1.6392093800           1.0000000        
S   1
  1      0.87237134000          1.0000000        
S   1
  1      0.48964562000          1.0000000        
S   1
  1      0.24926145000          1.0000000        
P   1
  1     49.862264980            1.0000000        
P   1
  1     12.325982010            1.0000000        
P   1
  1      3.5906423100           1.0000000        
P   1
  1      1.6884440200           1.0000000        
P   1
  1      1.0533818300           1.0000000        
P   1
  1      0.51716817000          1.0000000        
P   1
  1      0.24545173000          1.0000000        
D   1
  1     16.935433640            1.0000000        
D   1
  1      5.6402869100           1.0000000        
D   1
  1      2.2042152900           1.0000000        
D   1
  1      1.0310124000           1.0000000        
D   1
  1      0.59945554000          1.0000000        
D   1
  1      0.35214502000          1.0000000        
F   1
  1      5.4484111500           1.0000000        
F   1
  1      2.2630139600           1.0000000        
F   1
  1      1.7389784400           1.0000000        
F   1
  1      0.72979487000          1.0000000        
F   1
  1      0.34863256000          1.0000000        
G   1
  1      2.8127761500           1.0000000        
G   1
  1      1.3495575800           1.0000000        
G   1
  1      0.71325674000          1.0000000        
H   1
  1      1.4869361100           1.0000000        


name: cc-pVQZ-RI
description: N/A
elt: N
data:
NITROGEN
S   1
  1    284.72976833             1.0000000        
S   1
  1     61.812130160            1.0000000        
S   1
  1     14.133378780            1.0000000        
S   1
  1      5.1587107600           1.0000000        
S   1
  1      2.0549150500           1.0000000        
S   1
  1      1.1370573000           1.0000000        
S   1
  1      0.59481528000          1.0000000        
S   1
  1      0.35860680000          1.0000000        
P   1
  1     66.749955880            1.0000000        
P   1
  1     16.924786440            1.0000000        
P   1
  1      5.0303492800           1.0000000        
P   1
  1      2.8212238000           1.0000000        
P   1
  1      1.7003362000           1.0000000        
P   1
  1      0.69507352000          1.0000000        
P   1
  1      0.34953700000          1.0000000        
D   1
  1     25.136207520            1.0000000        
D   1
  1      8.3552240100           1.0000000        
D   1
  1      3.3625287000           1.0000000        
D   1
  1      1.4989770800           1.0000000        
D   1
  1      0.74093179000          1.0000000        
D   1
  1      0.46948829000          1.0000000        
F   1
  1      8.4797650900           1.0000000        
F   1
  1      3.6173570000           1.0000000        
F   1
  1      2.4953599400           1.0000000        
F   1
  1      1.0331339900           1.0000000        
F   1
  1      0.48153351000          1.0000000        
G   1
  1      4.1850847000           1.0000000        
G   1
  1      1.9255348800           1.0000000        
G   1
  1      0.97077363000          1.0000000        
H   1
  1      2.1281915200           1.0000000        


name: cc-pVQZ-RI
description: N/A
elt: O
data:
OXYGEN
S   1
  1    353.83035678             1.0000000        
S   1
  1     75.357261710            1.0000000        
S   1
  1     21.117406900            1.0000000        
S   1
  1      5.2252556200           1.0000000        
S   1
  1      2.5880879700           1.0000000        
S   1
  1      1.5253313500           1.0000000        
S   1
  1      0.71853188000          1.0000000        
S   1
  1      0.31850176000          1.0000000        
P   1
  1     88.557170360            1.0000000        
P   1
  1     22.294394600            1.0000000        
P   1
  1      6.5663064600           1.0000000        
P   1
  1      3.3419619800           1.0000000        
P   1
  1      1.8538951800           1.0000000        
P   1
  1      0.86798989000          1.0000000        
P   1
  1      0.47805185000          1.0000000        
D   1
  1     25.394489460            1.0000000        
D   1
  1      8.6360887100           1.0000000        
D   1
  1      3.9106678000           1.0000000        
D   1
  1      2.1402819600           1.0000000        
D   1
  1      0.98946206000          1.0000000        
D   1
  1      0.42309083000          1.0000000        
F   1
  1     10.502388090            1.0000000        
F   1
  1      4.4495593000           1.0000000        
F   1
  1      2.9580200500           1.0000000        
F   1
  1      1.3208390600           1.0000000        
F   1
  1      0.73872352000          1.0000000        
G   1
  1      4.9476228900           1.0000000        
G   1
  1      2.5401950000           1.0000000        
G   1
  1      1.2595085000           1.0000000        
H   1
  1      2.7655405000           1.0000000        


