# all_value

name: cc-pVTZ-DK
description: N/A
elt: Tc
data:
TECHNETIUM
S   25
  1 178961000.0000000           0.0000430        
  2 28148200.0000000            0.0001140        
  3 5914010.0000000             0.0003140        
  4 1552760.0000000             0.0007180        
  5 482395.0000000              0.0015410        
  6 169737.0000000              0.0031420        
  7  65376.0000000              0.0063430        
  8  26865.3000000              0.0128650        
  9  11564.1000000              0.0265800        
 10   5150.3200000              0.0553900        
 11   2355.6900000              0.1125490        
 12   1102.3400000              0.2063370        
 13    527.0590000              0.2990520        
 14    257.4680000              0.2719330        
 15    128.5040000              0.1126190        
 16     65.4587000              0.0375590        
 17     33.9144000              0.0437580        
 18     17.7481000              0.0196590        
 19      9.2726700              0.0081340        
 20      4.7523800              0.0081610        
 21      2.3310300              0.0020330        
 22      1.1301700             -0.0000570        
 23      0.5131080              0.0000130        
 24      0.1304190             -0.0000100        
 25      0.0638980              0.0000070        
S   25
  1 178961000.0000000          -0.0000190        
  2 28148200.0000000           -0.0000490        
  3 5914010.0000000            -0.0001350        
  4 1552760.0000000            -0.0003090        
  5 482395.0000000             -0.0006650        
  6 169737.0000000             -0.0013590        
  7  65376.0000000             -0.0027560        
  8  26865.3000000             -0.0056310        
  9  11564.1000000             -0.0117810        
 10   5150.3200000             -0.0250750        
 11   2355.6900000             -0.0530900        
 12   1102.3400000             -0.1052320        
 13    527.0590000             -0.1783810        
 14    257.4680000             -0.2095460        
 15    128.5040000             -0.0629670        
 16     65.4587000              0.3179020        
 17     33.9144000              0.5332110        
 18     17.7481000              0.2551560        
 19      9.2726700              0.0449990        
 20      4.7523800              0.0227030        
 21      2.3310300              0.0049700        
 22      1.1301700             -0.0002370        
 23      0.5131080             -0.0000920        
 24      0.1304190             -0.0000180        
 25      0.0638980              0.0000080        
S   25
  1 178961000.0000000           0.0000060        
  2 28148200.0000000            0.0000170        
  3 5914010.0000000             0.0000460        
  4 1552760.0000000             0.0001060        
  5 482395.0000000              0.0002290        
  6 169737.0000000              0.0004680        
  7  65376.0000000              0.0009530        
  8  26865.3000000              0.0019510        
  9  11564.1000000              0.0041130        
 10   5150.3200000              0.0088260        
 11   2355.6900000              0.0191010        
 12   1102.3400000              0.0390900        
 13    527.0590000              0.0709630        
 14    257.4680000              0.0909350        
 15    128.5040000              0.0274540        
 16     65.4587000             -0.2234740        
 17     33.9144000             -0.5028100        
 18     17.7481000             -0.2858970        
 19      9.2726700              0.4598010        
 20      4.7523800              0.7330610        
 21      2.3310300              0.1760240        
 22      1.1301700              0.0021870        
 23      0.5131080              0.0024930        
 24      0.1304190             -0.0002820        
 25      0.0638980              0.0002220        
S   25
  1 178961000.0000000          -0.0000030        
  2 28148200.0000000           -0.0000070        
  3 5914010.0000000            -0.0000180        
  4 1552760.0000000            -0.0000420        
  5 482395.0000000             -0.0000910        
  6 169737.0000000             -0.0001850        
  7  65376.0000000             -0.0003770        
  8  26865.3000000             -0.0007720        
  9  11564.1000000             -0.0016260        
 10   5150.3200000             -0.0034910        
 11   2355.6900000             -0.0075330        
 12   1102.3400000             -0.0154220        
 13    527.0590000             -0.0278620        
 14    257.4680000             -0.0359250        
 15    128.5040000             -0.0107650        
 16     65.4587000              0.0918410        
 17     33.9144000              0.2257930        
 18     17.7481000              0.1309140        
 19      9.2726700             -0.2642190        
 20      4.7523800             -0.7202240        
 21      2.3310300             -0.1028710        
 22      1.1301700              0.8117620        
 23      0.5131080              0.5218420        
 24      0.1304190              0.0351890        
 25      0.0638980             -0.0127690        
S   25
  1 178961000.0000000           0.0000010        
  2 28148200.0000000            0.0000020        
  3 5914010.0000000             0.0000050        
  4 1552760.0000000             0.0000110        
  5 482395.0000000              0.0000240        
  6 169737.0000000              0.0000500        
  7  65376.0000000              0.0001010        
  8  26865.3000000              0.0002070        
  9  11564.1000000              0.0004350        
 10   5150.3200000              0.0009350        
 11   2355.6900000              0.0020160        
 12   1102.3400000              0.0041320        
 13    527.0590000              0.0074660        
 14    257.4680000              0.0096460        
 15    128.5040000              0.0028900        
 16     65.4587000             -0.0248900        
 17     33.9144000             -0.0618080        
 18     17.7481000             -0.0362310        
 19      9.2726700              0.0754020        
 20      4.7523800              0.2236020        
 21      2.3310300              0.0248900        
 22      1.1301700             -0.3329940        
 23      0.5131080             -0.3418400        
 24      0.1304190              0.2850890        
 25      0.0638980              0.6232290        
S   25
  1 178961000.0000000           0.0000010        
  2 28148200.0000000            0.0000030        
  3 5914010.0000000             0.0000090        
  4 1552760.0000000             0.0000220        
  5 482395.0000000              0.0000470        
  6 169737.0000000              0.0000950        
  7  65376.0000000              0.0001960        
  8  26865.3000000              0.0003890        
  9  11564.1000000              0.0008580        
 10   5150.3200000              0.0017310        
 11   2355.6900000              0.0040390        
 12   1102.3400000              0.0074900        
 13    527.0590000              0.0154580        
 14    257.4680000              0.0157540        
 15    128.5040000              0.0122800        
 16     65.4587000             -0.0635560        
 17     33.9144000             -0.0871020        
 18     17.7481000             -0.1366610        
 19      9.2726700              0.2761530        
 20      4.7523800              0.2425900        
 21      2.3310300              0.4418520        
 22      1.1301700             -1.6460860        
 23      0.5131080              0.4232050        
 24      0.1304190              2.2050540        
 25      0.0638980             -1.4702530        
S   25
  1 178961000.0000000           0.0000020        
  2 28148200.0000000            0.0000050        
  3 5914010.0000000             0.0000150        
  4 1552760.0000000             0.0000330        
  5 482395.0000000              0.0000720        
  6 169737.0000000              0.0001460        
  7  65376.0000000              0.0003030        
  8  26865.3000000              0.0006030        
  9  11564.1000000              0.0013250        
 10   5150.3200000              0.0026850        
 11   2355.6900000              0.0062370        
 12   1102.3400000              0.0116520        
 13    527.0590000              0.0238440        
 14    257.4680000              0.0248310        
 15    128.5040000              0.0182700        
 16     65.4587000             -0.0979380        
 17     33.9144000             -0.1470280        
 18     17.7481000             -0.1982040        
 19      9.2726700              0.4388850        
 20      4.7523800              0.5325560        
 21      2.3310300              0.4184560        
 22      1.1301700             -3.6812570        
 23      0.5131080              3.8999050        
 24      0.1304190             -1.5926540        
 25      0.0638980             -0.6172010        
S   1
  1      0.0284770              1.0000000        
P   20
  1 1341110.0000000             0.0000150        
  2 223449.0000000              0.0000540        
  3  50289.1000000              0.0002060        
  4  14301.8000000              0.0007400        
  5   4864.9100000              0.0026260        
  6   1893.2600000              0.0089310        
  7    813.7200000              0.0278940        
  8    375.8210000              0.0769050        
  9    182.6910000              0.1751450        
 10     92.0455000              0.3045590        
 11     47.5245000              0.3498630        
 12     24.9323000              0.2044260        
 13     13.1975000              0.0401360        
 14      7.0011400             -0.0078320        
 15      3.6931800             -0.0064270        
 16      1.9177400             -0.0009580        
 17      0.9528720              0.0000480        
 18      0.4573390              0.0001060        
 19      0.1805310              0.0000040        
 20      0.0752910              0.0000030        
P   20
  1 1341110.0000000            -0.0000060        
  2 223449.0000000             -0.0000230        
  3  50289.1000000             -0.0000850        
  4  14301.8000000             -0.0003070        
  5   4864.9100000             -0.0010940        
  6   1893.2600000             -0.0037460        
  7    813.7200000             -0.0118550        
  8    375.8210000             -0.0335210        
  9    182.6910000             -0.0795270        
 10     92.0455000             -0.1460930        
 11     47.5245000             -0.1725010        
 12     24.9323000             -0.0163100        
 13     13.1975000              0.2987230        
 14      7.0011400              0.4925100        
 15      3.6931800              0.2883970        
 16      1.9177400              0.0435590        
 17      0.9528720             -0.0007580        
 18      0.4573390             -0.0025530        
 19      0.1805310             -0.0001370        
 20      0.0752910             -0.0000690        
P   20
  1 1341110.0000000             0.0000020        
  2 223449.0000000              0.0000090        
  3  50289.1000000              0.0000330        
  4  14301.8000000              0.0001170        
  5   4864.9100000              0.0004190        
  6   1893.2600000              0.0014340        
  7    813.7200000              0.0045490        
  8    375.8210000              0.0128910        
  9    182.6910000              0.0307600        
 10     92.0455000              0.0568800        
 11     47.5245000              0.0675890        
 12     24.9323000             -0.0012950        
 13     13.1975000             -0.1455070        
 14      7.0011400             -0.2719500        
 15      3.6931800             -0.1411130        
 16      1.9177400              0.3140090        
 17      0.9528720              0.5364510        
 18      0.4573390              0.3167580        
 19      0.1805310              0.0478290        
 20      0.0752910             -0.0030480        
P   20
  1 1341110.0000000            -0.0000010        
  2 223449.0000000             -0.0000020        
  3  50289.1000000             -0.0000090        
  4  14301.8000000             -0.0000320        
  5   4864.9100000             -0.0001130        
  6   1893.2600000             -0.0003850        
  7    813.7200000             -0.0012240        
  8    375.8210000             -0.0034600        
  9    182.6910000             -0.0082870        
 10     92.0455000             -0.0152770        
 11     47.5245000             -0.0183080        
 12     24.9323000              0.0008390        
 13     13.1975000              0.0399270        
 14      7.0011400              0.0775620        
 15      3.6931800              0.0366150        
 16      1.9177400             -0.1039740        
 17      0.9528720             -0.2105780        
 18      0.4573390             -0.1018400        
 19      0.1805310              0.2924190        
 20      0.0752910              0.5825860        
P   20
  1 1341110.0000000            -0.0000010        
  2 223449.0000000             -0.0000040        
  3  50289.1000000             -0.0000140        
  4  14301.8000000             -0.0000510        
  5   4864.9100000             -0.0001840        
  6   1893.2600000             -0.0006260        
  7    813.7200000             -0.0020040        
  8    375.8210000             -0.0056270        
  9    182.6910000             -0.0135870        
 10     92.0455000             -0.0247950        
 11     47.5245000             -0.0302750        
 12     24.9323000              0.0022220        
 13     13.1975000              0.0637270        
 14      7.0011400              0.1306480        
 15      3.6931800              0.0554210        
 16      1.9177400             -0.1678540        
 17      0.9528720             -0.3953770        
 18      0.4573390             -0.0513970        
 19      0.1805310              0.6680980        
 20      0.0752910              0.4465640        
P   20
  1 1341110.0000000            -0.0000020        
  2 223449.0000000             -0.0000060        
  3  50289.1000000             -0.0000230        
  4  14301.8000000             -0.0000820        
  5   4864.9100000             -0.0002990        
  6   1893.2600000             -0.0009910        
  7    813.7200000             -0.0032650        
  8    375.8210000             -0.0088730        
  9    182.6910000             -0.0222830        
 10     92.0455000             -0.0386770        
 11     47.5245000             -0.0517820        
 12     24.9323000              0.0107390        
 13     13.1975000              0.0937030        
 14      7.0011400              0.2422200        
 15      3.6931800              0.0577850        
 16      1.9177400             -0.3227350        
 17      0.9528720             -1.0029390        
 18      0.4573390              1.2167690        
 19      0.1805310              0.6344150        
 20      0.0752910             -1.0760190        
P   1
  1      0.0304790              1.0000000        
D   13
  1   2481.8700000              0.0001470        
  2    697.0580000              0.0013290        
  3    257.4370000              0.0079720        
  4    111.6320000              0.0320700        
  5     52.8611000              0.0959310        
  6     26.2047000              0.2127570        
  7     13.2981000              0.3266690        
  8      6.8185100              0.3388620        
  9      3.4826200              0.1933480        
 10      1.7064600              0.0433620        
 11      0.8045800              0.0020080        
 12      0.3630130              0.0004560        
 13      0.1545410             -0.0000580        
D   13
  1   2481.8700000             -0.0000400        
  2    697.0580000             -0.0003670        
  3    257.4370000             -0.0022000        
  4    111.6320000             -0.0089220        
  5     52.8611000             -0.0269030        
  6     26.2047000             -0.0603340        
  7     13.2981000             -0.0893810        
  8      6.8185100             -0.0847870        
  9      3.4826200              0.0209990        
 10      1.7064600              0.2292420        
 11      0.8045800              0.3731980        
 12      0.3630130              0.3559500        
 13      0.1545410              0.2172430        
D   13
  1   2481.8700000              0.0000400        
  2    697.0580000              0.0003580        
  3    257.4370000              0.0021620        
  4    111.6320000              0.0087300        
  5     52.8611000              0.0265440        
  6     26.2047000              0.0593390        
  7     13.2981000              0.0873960        
  8      6.8185100              0.0756220        
  9      3.4826200             -0.0335180        
 10      1.7064600             -0.2818520        
 11      0.8045800             -0.3974720        
 12      0.3630130              0.0432450        
 13      0.1545410              0.5763730        
D   13
  1   2481.8700000             -0.0000630        
  2    697.0580000             -0.0005610        
  3    257.4370000             -0.0034270        
  4    111.6320000             -0.0137590        
  5     52.8611000             -0.0424820        
  6     26.2047000             -0.0941600        
  7     13.2981000             -0.1349860        
  8      6.8185100             -0.0964510        
  9      3.4826200              0.1169460        
 10      1.7064600              0.6181420        
 11      0.8045800              0.1134760        
 12      0.3630130             -0.9378260        
 13      0.1545410              0.0451100        
D   1
  1      0.0602240              1.0000000        
F   1
  1      1.3052000              1.0000000        
F   1
  1      0.3737000              1.0000000        
G   1
  1      0.8539000              1.0000000        


name: cc-pVTZ-DK
description: N/A
elt: Ru
data:
RUTHENIUM
S   25
  1 192708000.0000000           0.0000430        
  2 30168800.0000000            0.0001140        
  3 6339070.0000000             0.0003130        
  4 1668940.0000000             0.0007100        
  5 520455.0000000              0.0015130        
  6 183800.0000000              0.0030630        
  7  70986.5000000              0.0061410        
  8  29211.0000000              0.0123760        
  9  12572.0000000              0.0254270        
 10   5590.3500000              0.0527840        
 11   2549.9300000              0.1071880        
 12   1189.0600000              0.1971680        
 13    566.3840000              0.2875370        
 14    275.7140000              0.2633660        
 15    137.2420000              0.1126640        
 16     69.8096000              0.0551880        
 17     36.1751000              0.0735220        
 18     18.9686000              0.0345760        
 19      9.9474900              0.0113210        
 20      5.1249000              0.0102330        
 21      2.5290800              0.0025890        
 22      1.2282400             -0.0000550        
 23      0.5576660              0.0000190        
 24      0.1412190             -0.0000110        
 25      0.0677970              0.0000070        
S   25
  1 192708000.0000000          -0.0000220        
  2 30168800.0000000           -0.0000570        
  3 6339070.0000000            -0.0001560        
  4 1668940.0000000            -0.0003550        
  5 520455.0000000             -0.0007580        
  6 183800.0000000             -0.0015390        
  7  70986.5000000             -0.0030990        
  8  29211.0000000             -0.0062850        
  9  12572.0000000             -0.0130610        
 10   5590.3500000             -0.0276330        
 11   2549.9300000             -0.0582250        
 12   1189.0600000             -0.1149260        
 13    566.3840000             -0.1935060        
 14    275.7140000             -0.2260240        
 15    137.2420000             -0.0751900        
 16     69.8096000              0.3072190        
 17     36.1751000              0.5283130        
 18     18.9686000              0.2587270        
 19      9.9474900              0.0479550        
 20      5.1249000              0.0251360        
 21      2.5290800              0.0057370        
 22      1.2282400             -0.0001660        
 23      0.5576660             -0.0000400        
 24      0.1412190             -0.0000170        
 25      0.0677970              0.0000090        
S   25
  1 192708000.0000000           0.0000070        
  2 30168800.0000000            0.0000180        
  3 6339070.0000000             0.0000480        
  4 1668940.0000000             0.0001100        
  5 520455.0000000              0.0002340        
  6 183800.0000000              0.0004760        
  7  70986.5000000              0.0009620        
  8  29211.0000000              0.0019580        
  9  12572.0000000              0.0041060        
 10   5590.3500000              0.0087800        
 11   2549.9300000              0.0189830        
 12   1189.0600000              0.0389780        
 13    566.3840000              0.0712210        
 14    275.7140000              0.0925470        
 15    137.2420000              0.0306350        
 16     69.8096000             -0.2207380        
 17     36.1751000             -0.5059410        
 18     18.9686000             -0.2986110        
 19      9.9474900              0.4492940        
 20      5.1249000              0.7395890        
 21      2.5290800              0.1826020        
 22      1.2282400              0.0034490        
 23      0.5576660              0.0029330        
 24      0.1412190             -0.0002380        
 25      0.0677970              0.0002020        
S   25
  1 192708000.0000000          -0.0000030        
  2 30168800.0000000           -0.0000070        
  3 6339070.0000000            -0.0000190        
  4 1668940.0000000            -0.0000440        
  5 520455.0000000             -0.0000940        
  6 183800.0000000             -0.0001910        
  7  70986.5000000             -0.0003850        
  8  29211.0000000             -0.0007830        
  9  12572.0000000             -0.0016400        
 10   5590.3500000             -0.0035080        
 11   2549.9300000             -0.0075650        
 12   1189.0600000             -0.0155340        
 13    566.3840000             -0.0282560        
 14    275.7140000             -0.0369270        
 15    137.2420000             -0.0121770        
 16     69.8096000              0.0918450        
 17     36.1751000              0.2302230        
 18     18.9686000              0.1396390        
 19      9.9474900             -0.2641930        
 20      5.1249000             -0.7396320        
 21      2.5290800             -0.1040900        
 22      1.2282400              0.8185660        
 23      0.5576660              0.5210750        
 24      0.1412190              0.0347060        
 25      0.0677970             -0.0119300        
S   25
  1 192708000.0000000           0.0000010        
  2 30168800.0000000            0.0000020        
  3 6339070.0000000             0.0000050        
  4 1668940.0000000             0.0000120        
  5 520455.0000000              0.0000250        
  6 183800.0000000              0.0000500        
  7  70986.5000000              0.0001010        
  8  29211.0000000              0.0002070        
  9  12572.0000000              0.0004320        
 10   5590.3500000              0.0009250        
 11   2549.9300000              0.0019940        
 12   1189.0600000              0.0040990        
 13    566.3840000              0.0074550        
 14    275.7140000              0.0097680        
 15    137.2420000              0.0032110        
 16     69.8096000             -0.0244990        
 17     36.1751000             -0.0621450        
 18     18.9686000             -0.0380230        
 19      9.9474900              0.0742580        
 20      5.1249000              0.2271880        
 21      2.5290800              0.0232510        
 22      1.2282400             -0.3313700        
 23      0.5576660             -0.3331680        
 24      0.1412190              0.2761890        
 25      0.0677970              0.6217720        
S   25
  1 192708000.0000000           0.0000010        
  2 30168800.0000000            0.0000040        
  3 6339070.0000000             0.0000100        
  4 1668940.0000000             0.0000240        
  5 520455.0000000              0.0000510        
  6 183800.0000000              0.0001020        
  7  70986.5000000              0.0002090        
  8  29211.0000000              0.0004130        
  9  12572.0000000              0.0009030        
 10   5590.3500000              0.0018220        
 11   2549.9300000              0.0042320        
 12   1189.0600000              0.0079160        
 13    566.3840000              0.0163240        
 14    275.7140000              0.0171370        
 15    137.2420000              0.0133870        
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D   13
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D   1
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F   1
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F   1
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G   1
  1      1.0050000              1.0000000        


name: cc-pVTZ-DK
description: N/A
elt: Rh
data:
RHODIUM
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  4  17023.4000000             -0.0000880        
  5   5748.1500000             -0.0003100        
  6   2219.3800000             -0.0010360        
  7    947.0230000             -0.0033490        
  8    434.7980000             -0.0093580        
  9    210.4080000             -0.0232300        
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P   1
  1      0.0337970              1.0000000        
D   13
  1   2792.9700000              0.0001480        
  2    802.4110000              0.0012730        
  3    296.3820000              0.0077100        
  4    127.7060000              0.0316940        
  5     60.1914000              0.0960960        
  6     29.8287000              0.2138980        
  7     15.1894000              0.3292350        
  8      7.8338600              0.3391930        
  9      4.0347000              0.1871580        
 10      2.0068000              0.0403970        
 11      0.9589780              0.0022420        
 12      0.4378690              0.0005540        
 13      0.1884020              0.0000850        
D   13
  1   2792.9700000             -0.0000440        
  2    802.4110000             -0.0003830        
  3    296.3820000             -0.0023210        
  4    127.7060000             -0.0096160        
  5     60.1914000             -0.0294330        
  6     29.8287000             -0.0662430        
  7     15.1894000             -0.0985040        
  8      7.8338600             -0.0913240        
  9      4.0347000              0.0328620        
 10      2.0068000              0.2523970        
 11      0.9589780              0.3790570        
 12      0.4378690              0.3402040        
 13      0.1884020              0.1979080        
D   13
  1   2792.9700000              0.0000450        
  2    802.4110000              0.0003860        
  3    296.3820000              0.0023570        
  4    127.7060000              0.0097350        
  5     60.1914000              0.0300490        
  6     29.8287000              0.0675750        
  7     15.1894000              0.0991900        
  8      7.8338600              0.0820690        
  9      4.0347000             -0.0522600        
 10      2.0068000             -0.3346050        
 11      0.9589780             -0.3769710        
 12      0.4378690              0.1428500        
 13      0.1884020              0.5594820        
D   13
  1   2792.9700000             -0.0000660        
  2    802.4110000             -0.0005640        
  3    296.3820000             -0.0034690        
  4    127.7060000             -0.0142960        
  5     60.1914000             -0.0446570        
  6     29.8287000             -0.1006180        
  7     15.1894000             -0.1407410        
  8      7.8338600             -0.0900030        
  9      4.0347000              0.1367850        
 10      2.0068000              0.6761930        
 11      0.9589780             -0.0619930        
 12      0.4378690             -0.9061800        
 13      0.1884020              0.1541380        
D   1
  1      0.0739060              1.0000000        
F   1
  1      1.7214000              1.0000000        
F   1
  1      0.5080000              1.0000000        
G   1
  1      1.1557000              1.0000000        


name: cc-pVTZ-DK
description: N/A
elt: Pd
data:
PALLADIUM
S   25
  1 231969000.0000000           0.0000380        
  2 35874000.0000000            0.0001010        
  3 7478510.0000000             0.0002770        
  4 1959210.0000000             0.0006270        
  5 609102.0000000              0.0013270        
  6 214666.0000000              0.0026660        
  7  82772.4000000              0.0052950        
  8  34005.0000000              0.0105500        
  9  14607.5000000              0.0213990        
 10   6480.7700000              0.0438700        
 11   2948.3800000              0.0881890        
 12   1370.9700000              0.1612280        
 13    651.1640000              0.2336970        
 14    316.1400000              0.2112000        
 15    157.0170000              0.0981310        
 16     79.7486000              0.1177200        
 17     41.3024000              0.1899080        
 18     21.6692000              0.0967030        
 19     11.3839000              0.0244730        
 20      5.8823900              0.0181770        
 21      2.9146900              0.0045120        
 22      1.4182000             -0.0000340        
 23      0.6431560              0.0000380        
 24      0.1621260             -0.0000120        
 25      0.0757470              0.0000080        
S   25
  1 231969000.0000000          -0.0000310        
  2 35874000.0000000           -0.0000840        
  3 7478510.0000000            -0.0002290        
  4 1959210.0000000            -0.0005200        
  5 609102.0000000             -0.0011030        
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  7  82772.4000000             -0.0044240        
  8  34005.0000000             -0.0088620        
  9  14607.5000000             -0.0181430        
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 13    651.1640000             -0.2484170        
 14    316.1400000             -0.2821950        
 15    157.0170000             -0.1138920        
 16     79.7486000              0.2668050        
 17     41.3024000              0.4972710        
 18     21.6692000              0.2581180        
 19     11.3839000              0.0500270        
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 22      1.4182000             -0.0000090        
 23      0.6431560              0.0000170        
 24      0.1621260             -0.0000070        
 25      0.0757470              0.0000040        
S   25
  1 231969000.0000000           0.0000070        
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  3 7478510.0000000             0.0000510        
  4 1959210.0000000             0.0001150        
  5 609102.0000000              0.0002450        
  6 214666.0000000              0.0004940        
  7  82772.4000000              0.0009900        
  8  34005.0000000              0.0019940        
  9  14607.5000000              0.0041330        
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 11   2948.3800000              0.0187720        
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 13    651.1640000              0.0709410        
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 16     79.7486000             -0.2101840        
 17     41.3024000             -0.5097240        
 18     21.6692000             -0.3292160        
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 21      2.9146900              0.1893900        
 22      1.4182000              0.0046220        
 23      0.6431560              0.0031330        
 24      0.1621260             -0.0001840        
 25      0.0757470              0.0001700        
S   25
  1 231969000.0000000          -0.0000030        
  2 35874000.0000000           -0.0000080        
  3 7478510.0000000            -0.0000210        
  4 1959210.0000000            -0.0000470        
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  7  82772.4000000             -0.0004030        
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  9  14607.5000000             -0.0016800        
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 23      0.6431560              0.5096530        
 24      0.1621260              0.0323300        
 25      0.0757470             -0.0101750        
S   25
  1 231969000.0000000           0.0000010        
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  6 214666.0000000              0.0000510        
  7  82772.4000000              0.0001020        
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  9  14607.5000000              0.0004260        
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 23      0.6431560             -0.3116880        
 24      0.1621260              0.2542590        
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S   25
  1 231969000.0000000           0.0000010        
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  3 7478510.0000000             0.0000110        
  4 1959210.0000000             0.0000240        
  5 609102.0000000              0.0000510        
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  7  82772.4000000              0.0002090        
  8  34005.0000000              0.0004110        
  9  14607.5000000              0.0008800        
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 14    316.1400000              0.0176250        
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 19     11.3839000              0.2582880        
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 21      2.9146900              0.3668280        
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 23      0.6431560              0.5083560        
 24      0.1621260              1.7709410        
 25      0.0757470             -0.8830610        
S   25
  1 231969000.0000000           0.0000020        
  2 35874000.0000000            0.0000060        
  3 7478510.0000000             0.0000160        
  4 1959210.0000000             0.0000350        
  5 609102.0000000              0.0000750        
  6 214666.0000000              0.0001510        
  7  82772.4000000              0.0003030        
  8  34005.0000000              0.0006090        
  9  14607.5000000              0.0012660        
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 12   1370.9700000              0.0117020        
 13    651.1640000              0.0217740        
 14    316.1400000              0.0286790        
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 19     11.3839000              0.2556980        
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 23      0.6431560              3.3999180        
 24      0.1621260             -0.8439920        
 25      0.0757470             -1.3578290        
S   1
  1      0.0328330              1.0000000        
P   20
  1 1789180.0000000             0.0000160        
  2 299329.0000000              0.0000550        
  3  66902.0000000              0.0002010        
  4  18783.6000000              0.0007020        
  5   6293.7500000              0.0024310        
  6   2413.2000000              0.0081640        
  7   1023.6400000              0.0255500        
  8    467.7130000              0.0713070        
  9    225.4890000              0.1658860        
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 11     58.0528000              0.3536860        
 12     30.3656000              0.2181360        
 13     16.0450000              0.0479290        
 14      8.5088900             -0.0047840        
 15      4.4978300             -0.0047910        
 16      2.3502500             -0.0006970        
 17      1.1661100              0.0000100        
 18      0.5548970              0.0000700        
 19      0.2085100             -0.0000020        
 20      0.0843150              0.0000030        
P   20
  1 1789180.0000000            -0.0000070        
  2 299329.0000000             -0.0000240        
  3  66902.0000000             -0.0000870        
  4  18783.6000000             -0.0003030        
  5   6293.7500000             -0.0010540        
  6   2413.2000000             -0.0035630        
  7   1023.6400000             -0.0112890        
  8    467.7130000             -0.0322750        
  9    225.4890000             -0.0781140        
 10    112.9220000             -0.1474240        
 11     58.0528000             -0.1817680        
 12     30.3656000             -0.0333360        
 13     16.0450000              0.2940170        
 14      8.5088900              0.5046260        
 15      4.4978300              0.2878520        
 16      2.3502500              0.0416890        
 17      1.1661100              0.0001300        
 18      0.5548970             -0.0019180        
 19      0.2085100              0.0000030        
 20      0.0843150             -0.0000710        
P   20
  1 1789180.0000000             0.0000030        
  2 299329.0000000              0.0000090        
  3  66902.0000000              0.0000340        
  4  18783.6000000              0.0001200        
  5   6293.7500000              0.0004190        
  6   2413.2000000              0.0014180        
  7   1023.6400000              0.0045040        
  8    467.7130000              0.0129120        
  9    225.4890000              0.0314570        
 10    112.9220000              0.0598250        
 11     58.0528000              0.0743730        
 12     30.3656000              0.0052590        
 13     16.0450000             -0.1540920        
 14      8.5088900             -0.3005170        
 15      4.4978300             -0.1366150        
 16      2.3502500              0.3543360        
 17      1.1661100              0.5418340        
 18      0.5548970              0.2883550        
 19      0.2085100              0.0365610        
 20      0.0843150             -0.0031140        
P   20
  1 1789180.0000000            -0.0000010        
  2 299329.0000000             -0.0000020        
  3  66902.0000000             -0.0000080        
  4  18783.6000000             -0.0000290        
  5   6293.7500000             -0.0001010        
  6   2413.2000000             -0.0003430        
  7   1023.6400000             -0.0010910        
  8    467.7130000             -0.0031190        
  9    225.4890000             -0.0076350        
 10    112.9220000             -0.0144670        
 11     58.0528000             -0.0181630        
 12     30.3656000             -0.0007540        
 13     16.0450000              0.0381890        
 14      8.5088900              0.0778260        
 15      4.4978300              0.0306690        
 16      2.3502500             -0.1073350        
 17      1.1661100             -0.1913910        
 18      0.5548970             -0.0731510        
 19      0.2085100              0.2904240        
 20      0.0843150              0.5689310        
P   20
  1 1789180.0000000            -0.0000010        
  2 299329.0000000             -0.0000050        
  3  66902.0000000             -0.0000170        
  4  18783.6000000             -0.0000610        
  5   6293.7500000             -0.0002120        
  6   2413.2000000             -0.0007110        
  7   1023.6400000             -0.0022860        
  8    467.7130000             -0.0064660        
  9    225.4890000             -0.0160240        
 10    112.9220000             -0.0298970        
 11     58.0528000             -0.0386350        
 12     30.3656000              0.0001520        
 13     16.0450000              0.0777120        
 14      8.5088900              0.1689660        
 15      4.4978300              0.0607940        
 16      2.3502500             -0.2409540        
 17      1.1661100             -0.5057780        
 18      0.5548970              0.1936520        
 19      0.2085100              0.7150110        
 20      0.0843150              0.2874470        
P   20
  1 1789180.0000000            -0.0000020        
  2 299329.0000000             -0.0000070        
  3  66902.0000000             -0.0000250        
  4  18783.6000000             -0.0000880        
  5   6293.7500000             -0.0003100        
  6   2413.2000000             -0.0010370        
  7   1023.6400000             -0.0033390        
  8    467.7130000             -0.0094370        
  9    225.4890000             -0.0234360        
 10    112.9220000             -0.0436950        
 11     58.0528000             -0.0570030        
 12     30.3656000              0.0013980        
 13     16.0450000              0.1211760        
 14      8.5088900              0.2485120        
 15      4.4978300              0.1276570        
 16      2.3502500             -0.5961590        
 17      1.1661100             -0.8149230        
 18      0.5548970              1.5239800        
 19      0.2085100              0.0450920        
 20      0.0843150             -0.8914620        
P   1
  1      0.0331870              1.0000000        
D   13
  1   2997.7400000              0.0001490        
  2    844.3660000              0.0013050        
  3    311.0270000              0.0078450        
  4    134.3580000              0.0320110        
  5     63.4728000              0.0970150        
  6     31.4809000              0.2161310        
  7     16.0390000              0.3321270        
  8      8.2870200              0.3383070        
  9      4.2820600              0.1815710        
 10      2.1441800              0.0380030        
 11      1.0309300              0.0022880        
 12      0.4734790              0.0005860        
 13      0.2050020              0.0001450        
D   13
  1   2997.7400000             -0.0000460        
  2    844.3660000             -0.0004060        
  3    311.0270000             -0.0024450        
  4    134.3580000             -0.0100510        
  5     63.4728000             -0.0307790        
  6     31.4809000             -0.0692950        
  7     16.0390000             -0.1029380        
  8      8.2870200             -0.0931070        
  9      4.2820600              0.0412880        
 10      2.1441800              0.2637390        
 11      1.0309300              0.3806010        
 12      0.4734790              0.3321510        
 13      0.2050020              0.1880590        
D   13
  1   2997.7400000              0.0000480        
  2    844.3660000              0.0004230        
  3    311.0270000              0.0025630        
  4    134.3580000              0.0105060        
  5     63.4728000              0.0324630        
  6     31.4809000              0.0730710        
  7     16.0390000              0.1066220        
  8      8.2870200              0.0845210        
  9      4.2820600             -0.0679160        
 10      2.1441800             -0.3669810        
 11      1.0309300             -0.3563970        
 12      0.4734790              0.1955400        
 13      0.2050020              0.5516610        
D   13
  1   2997.7400000             -0.0000680        
  2    844.3660000             -0.0005980        
  3    311.0270000             -0.0036080        
  4    134.3580000             -0.0149140        
  5     63.4728000             -0.0461640        
  6     31.4809000             -0.1056720        
  7     16.0390000             -0.1426130        
  8      8.2870200             -0.0885790        
  9      4.2820600              0.1635420        
 10      2.1441800              0.6958060        
 11      1.0309300             -0.1681640        
 12      0.4734790             -0.8831910        
 13      0.2050020              0.2342950        
D   1
  1      0.0809930              1.0000000        
F   1
  1      1.9443000              1.0000000        
F   1
  1      0.5809000              1.0000000        
G   1
  1      1.3187000              1.0000000        


name: cc-pVTZ-NR
description: TZ2P All-electron non-relativistic Valence Triple Zeta + Polarization
elt: Sc
data:
SCANDIUM
S   19
  1 2715278.0000000             8.147221E-06     
  2 406598.4000000              6.334788E-05     
  3  92530.0400000              0.0003330384     
  4  26207.9200000              0.001404055      
  5   8549.4290000              0.005081725      
  6   3085.9750000              0.01626926       
  7   1203.1720000              0.04624577       
  8    498.4869000              0.1137223        
  9    216.7360000              0.2257636        
 10     97.8747600              0.3106700        
 11     45.2043300              0.2191906        
 12     20.2118700              0.07215879       
 13      9.5747510              0.1187030        
 14      4.5403460              0.1220532        
 15      1.9956870              0.02136795       
 16      0.9422150             -0.0005357246     
 17      0.4178450              0.0002435774     
 18      0.0957610             -8.796617E-05     
 19      0.0513510              7.878246E-05     
S   19
  1 2715278.0000000            -4.722109E-06     
  2 406598.4000000             -3.671829E-05     
  3  92530.0400000             -0.0001930883     
  4  26207.9200000             -0.000814687      
  5   8549.4290000             -0.002955526      
  6   3085.9750000             -0.009520035      
  7   1203.1720000             -0.02746858       
  8    498.4869000             -0.06991528       
  9    216.7360000             -0.1499251        
 10     97.8747600             -0.2459153        
 11     45.2043300             -0.2401293        
 12     20.2118700              0.03567987       
 13      9.5747510              0.4915023        
 14      4.5403460              0.4911381        
 15      1.9956870              0.09120633       
 16      0.9422150             -0.005356723      
 17      0.4178450              0.0008812836     
 18      0.0957610             -0.0007605536     
 19      0.0513510              0.0006340116     
S   19
  1 2715278.0000000             9.139905E-07     
  2 406598.4000000              7.108513E-06     
  3  92530.0400000              3.738126E-05     
  4  26207.9200000              0.0001578828     
  5   8549.4290000              0.0005737686     
  6   3085.9750000              0.001859244      
  7   1203.1720000              0.005433182      
  8    498.4869000              0.01425387       
  9    216.7360000              0.03246144       
 10     97.8747600              0.06003454       
 11     45.2043300              0.06916105       
 12     20.2118700             -0.02113084       
 13      9.5747510             -0.2666832        
 14      4.5403460             -0.4367591        
 15      1.9956870              0.06498243       
 16      0.9422150              0.7009599        
 17      0.4178450              0.4515562        
 18      0.0957610              0.0301191        
 19      0.0513510             -0.0132948        
S   19
  1 2715278.0000000            -2.201951E-07     
  2 406598.4000000             -1.711419E-06     
  3  92530.0400000             -9.008469E-06     
  4  26207.9200000             -3.799997E-05     
  5   8549.4290000             -0.0001383227     
  6   3085.9750000             -0.0004473692     
  7   1203.1720000             -0.001310691      
  8    498.4869000             -0.00342986       
  9    216.7360000             -0.007847579      
 10     97.8747600             -0.01447189       
 11     45.2043300             -0.01690669       
 12     20.2118700              0.005396115      
 13      9.5747510              0.06671062       
 14      4.5403460              0.1178356        
 15      1.9956870             -0.02738134       
 16      0.9422150             -0.2260149        
 17      0.4178450             -0.3073539        
 18      0.0957610              0.2544054        
 19      0.0513510              0.5981590        
S   19
  1 2715278.0000000            -3.757238E-07     
  2 406598.4000000             -2.981907E-06     
  3  92530.0400000             -1.522586E-05     
  4  26207.9200000             -6.684686E-05     
  5   8549.4290000             -0.0002313129     
  6   3085.9750000             -0.0007959729     
  7   1203.1720000             -0.002161961      
  8    498.4869000             -0.006206459      
  9    216.7360000             -0.01261905       
 10     97.8747600             -0.02739459       
 11     45.2043300             -0.02336516       
 12     20.2118700             -0.005734627      
 13      9.5747510              0.1536025        
 14      4.5403460              0.1447100        
 15      1.9956870              0.09359699       
 16      0.9422150             -0.8687730        
 17      0.4178450              0.02114597       
 18      0.0957610              2.2754980        
 19      0.0513510             -1.1907700        
S   19
  1 2715278.0000000            -5.962768E-07     
  2 406598.4000000             -4.822853E-06     
  3  92530.0400000             -2.395005E-05     
  4  26207.9200000             -0.0001090335     
  5   8549.4290000             -0.0003601944     
  6   3085.9750000             -0.001311233      
  7   1203.1720000             -0.003322435      
  8    498.4869000             -0.0103752        
  9    216.7360000             -0.01892174       
 10     97.8747600             -0.04755287       
 11     45.2043300             -0.02931692       
 12     20.2118700             -0.03090088       
 13      9.5747510              0.3074597        
 14      4.5403460              0.1803100        
 15      1.9956870              0.2358178        
 16      0.9422150             -2.3885440        
 17      0.4178450              2.3294070        
 18      0.0957610              0.9918252        
 19      0.0513510             -3.5072400        
S   1
  1      0.0238780              1.0000000        
P   15
  1  10592.1900000              0.0000450        
  2   2507.5330000              0.0004010        
  3    814.4571000              0.0023020        
  4    311.5195000              0.0100370        
  5    131.9617000              0.0349540        
  6     59.9871800              0.0979090        
  7     28.6625000              0.2106800        
  8     14.1085100              0.3300930        
  9      7.1037060              0.3310270        
 10      3.6092000              0.1579600        
 11      1.7760700              0.0220990        
 12      0.8547600             -0.0016050        
 13      0.4022390             -0.0013260        
 14      0.1546650             -0.0002800        
 15      0.0649450              0.0000340        
P   15
  1  10592.1900000             -0.0000150        
  2   2507.5330000             -0.0001310        
  3    814.4571000             -0.0007570        
  4    311.5195000             -0.0033180        
  5    131.9617000             -0.0117060        
  6     59.9871800             -0.0336040        
  7     28.6625000             -0.0748790        
  8     14.1085100             -0.1225480        
  9      7.1037060             -0.1302760        
 10      3.6092000              0.0145960        
 11      1.7760700              0.3091840        
 12      0.8547600              0.4629980        
 13      0.4022390              0.3049570        
 14      0.1546650              0.0508780        
 15      0.0649450             -0.0044930        
P   15
  1  10592.1900000             -0.0000040        
  2   2507.5330000             -0.0000320        
  3    814.4571000             -0.0001850        
  4    311.5195000             -0.0008080        
  5    131.9617000             -0.0028700        
  6     59.9871800             -0.0082070        
  7     28.6625000             -0.0184730        
  8     14.1085100             -0.0301010        
  9      7.1037060             -0.0329430        
 10      3.6092000              0.0079580        
 11      1.7760700              0.0879930        
 12      0.8547600              0.1523770        
 13      0.4022390              0.0971700        
 14      0.1546650             -0.2569380        
 15      0.0649450             -0.5878150        
P   15
  1  10592.1900000              0.0000040        
  2   2507.5330000              0.0000390        
  3    814.4571000              0.0002210        
  4    311.5195000              0.0009840        
  5    131.9617000              0.0034230        
  6     59.9871800              0.0099930        
  7     28.6625000              0.0219160        
  8     14.1085100              0.0370080        
  9      7.1037060              0.0377940        
 10      3.6092000             -0.0043790        
 11      1.7760700             -0.1101640        
 12      0.8547600             -0.1610170        
 13      0.4022390             -0.1824820        
 14      0.1546650              0.3886110        
 15      0.0649450              0.6911000        
P   15
  1  10592.1900000              0.0000090        
  2   2507.5330000              0.0000740        
  3    814.4571000              0.0004790        
  4    311.5195000              0.0018690        
  5    131.9617000              0.0074240        
  6     59.9871800              0.0187630        
  7     28.6625000              0.0487170        
  8     14.1085100              0.0654400        
  9      7.1037060              0.1079480        
 10      3.6092000             -0.0587130        
 11      1.7760700             -0.1703060        
 12      0.8547600             -0.7549770        
 13      0.4022390              0.6201170        
 14      0.1546650              1.1675480        
 15      0.0649450             -1.0095310        
P   1
  1      0.0263590              1.0000000        
D   7
  1     50.5138000              0.0042660        
  2     14.7405000              0.0277080        
  3      5.1950000              0.1000010        
  4      2.0284600              0.2315810        
  5      0.8040860              0.3460330        
  6      0.3076890              0.3733740        
  7      0.1113920              0.2642880        
D   7
  1     50.5138000             -0.0043890        
  2     14.7405000             -0.0283630        
  3      5.1950000             -0.1051370        
  4      2.0284600             -0.2348540        
  5      0.8040860             -0.3246090        
  6      0.3076890             -0.0642890        
  7      0.1113920              0.6017490        
D   7
  1     50.5138000              0.0058590        
  2     14.7405000              0.0373230        
  3      5.1950000              0.1419240        
  4      2.0284600              0.3068960        
  5      0.8040860              0.3081890        
  6      0.3076890             -0.7607170        
  7      0.1113920             -0.2047750        
D   1
  1      0.0373520              1.0000000        
F   1
  1      0.7267000              1.0000000        
F   1
  1      0.1665000              1.0000000        
G   1
  1      0.4187000              1.0000000        


name: cc-pVTZ-NR
description: TZ2P All-electron non-relativistic Valence Triple Zeta + Polarization
elt: Cr
data:
CHROMIUM
S   19
  1 61771940.0000000            4.128667E-06     
  2 924929.5000000              3.210767E-05     
  3 210486.5000000              0.0001688416     
  4  59620.0500000              0.000712852      
  5  19450.7600000              0.002589325      
  6   7022.0560000              0.00837735       
  7   2738.7630000              0.02441725       
  8   1135.8140000              0.06365135       
  9    495.0923000              0.1427618        
 10    224.7487000              0.2541275        
 11    105.3836000              0.3009512        
 12     50.1935900              0.1766513        
 13     22.2495700              0.06936709       
 14     10.9826500              0.1179579        
 15      5.3836650              0.08916187       
 16      2.3436850              0.0110363        
 17      1.1052020             -0.0003546048     
 18      0.4878480              0.0001057311     
 19      0.0895990              1.11464E-05      
S   19
  1 61771940.0000000           -2.301772E-06     
  2 924929.5000000             -1.789536E-05     
  3 210486.5000000             -9.416174E-05     
  4  59620.0500000             -0.0003975074     
  5  19450.7600000             -0.001447025      
  6   7022.0560000             -0.004694622      
  7   2738.7630000             -0.01382387       
  8   1135.8140000             -0.03674643       
  9    495.0923000             -0.08647185       
 10    224.7487000             -0.1696735        
 11    105.3836000             -0.2507089        
 12     50.1935900             -0.1961156        
 13     22.2495700              0.1457244        
 14     10.9826500              0.5466706        
 15      5.3836650              0.3979434        
 16      2.3436850              0.05277007       
 17      1.1052020             -0.004374537      
 18      0.4878480              0.0003204035     
 19      0.0895990             -5.142077E-05     
S   19
  1 61771940.0000000            4.862957E-07     
  2 924929.5000000              3.776645E-06     
  3 210486.5000000              1.990664E-05     
  4  59620.0500000              8.389164E-05     
  5  19450.7600000              0.0003065706     
  6   7022.0560000              0.0009944107     
  7   2738.7630000              0.002961959      
  8   1135.8140000              0.007969473      
  9    495.0923000              0.01955017       
 10    224.7487000              0.04085035       
 11    105.3836000              0.06929003       
 12     50.1935900              0.06146984       
 13     22.2495700             -0.06981302       
 14     10.9826500             -0.3517597        
 15      5.3836650             -0.3828629        
 16      2.3436850              0.2676401        
 17      1.1052020              0.7175950        
 18      0.4878480              0.3020814        
 19      0.0895990              0.007749514      
S   19
  1 61771940.0000000           -1.102451E-07     
  2 924929.5000000             -8.530233E-07     
  3 210486.5000000             -4.520358E-06     
  4  59620.0500000             -1.891612E-05     
  5  19450.7600000             -6.974344E-05     
  6   7022.0560000             -0.0002237867     
  7   2738.7630000             -0.0006754503     
  8   1135.8140000             -0.001789346      
  9    495.0923000             -0.004477858      
 10    224.7487000             -0.009140144      
 11    105.3836000             -0.01610562       
 12     50.1935900             -0.0133487        
 13     22.2495700              0.01426027       
 14     10.9826500              0.0893169        
 15      5.3836650              0.08885279       
 16      2.3436850             -0.06368776       
 17      1.1052020             -0.2783262        
 18      0.4878480             -0.1830071        
 19      0.0895990              0.6790937        
S   19
  1 61771940.0000000            2.179893E-07     
  2 924929.5000000              1.61294E-06      
  3 210486.5000000              9.111842E-06     
  4  59620.0500000              3.500645E-05     
  5  19450.7600000              0.0001435315     
  6   7022.0560000              0.0004035896     
  7   2738.7630000              0.001425177      
  8   1135.8140000              0.003114009      
  9    495.0923000              0.009814449      
 10    224.7487000              0.01474698       
 11    105.3836000              0.03911512       
 12     50.1935900              0.009170888      
 13     22.2495700              0.01559878       
 14     10.9826500             -0.2816844        
 15      5.3836650             -0.006895261      
 16      2.3436850             -0.1769781        
 17      1.1052020              1.4430610        
 18      0.4878480             -1.0293180        
 19      0.0895990             -1.3076670        
S   19
  1 61771940.0000000           -3.669010E-07     
  2 924929.5000000             -2.768353E-06     
  3 210486.5000000             -1.521014E-05     
  4  59620.0500000             -6.066288E-05     
  5  19450.7600000             -0.0002374959     
  6   7022.0560000             -0.0007077071     
  7   2738.7630000             -0.002334389      
  8   1135.8140000             -0.005555062      
  9    495.0923000             -0.01585142       
 10    224.7487000             -0.02737888       
 11    105.3836000             -0.06106975       
 12     50.1935900             -0.02887227       
 13     22.2495700              0.006813714      
 14     10.9826500              0.4327670        
 15      5.3836650              0.1968410        
 16      2.3436850             -0.3764657        
 17      1.1052020             -2.0524730        
 18      0.4878480              2.9757410        
 19      0.0895990             -2.2117050        
S   1
  1      0.0334230              1.0000000        
P   15
  1  14454.2000000              0.0000440        
  2   3421.6760000              0.0003890        
  3   1111.3870000              0.0022410        
  4    425.1918000              0.0098210        
  5    180.2623000              0.0344710        
  6     82.0611700              0.0974600        
  7     39.2972600              0.2119850        
  8     19.4195900              0.3339900        
  9      9.8288990              0.3301370        
 10      5.0168100              0.1522270        
 11      2.4870910              0.0204250        
 12      1.1987800             -0.0013600        
 13      0.5586950             -0.0011950        
 14      0.2089240             -0.0001970        
 15      0.0846080              0.0000230        
P   15
  1  14454.2000000             -0.0000150        
  2   3421.6760000             -0.0001350        
  3   1111.3870000             -0.0007770        
  4    425.1918000             -0.0034270        
  5    180.2623000             -0.0121890        
  6     82.0611700             -0.0353880        
  7     39.2972600             -0.0799150        
  8     19.4195900             -0.1323350        
  9      9.8288990             -0.1354010        
 10      5.0168100              0.0320080        
 11      2.4870910              0.3338490        
 12      1.1987800              0.4617730        
 13      0.5586950              0.2812900        
 14      0.2089240              0.0418430        
 15      0.0846080             -0.0040020        
P   15
  1  14454.2000000              0.0000040        
  2   3421.6760000              0.0000320        
  3   1111.3870000              0.0001850        
  4    425.1918000              0.0008100        
  5    180.2623000              0.0029060        
  6     82.0611700              0.0083910        
  7     39.2972600              0.0191930        
  8     19.4195900              0.0315640        
  9      9.8288990              0.0334170        
 10      5.0168100             -0.0129070        
 11      2.4870910             -0.0936590        
 12      1.1987800             -0.1499770        
 13      0.5586950             -0.0672340        
 14      0.2089240              0.2707590        
 15      0.0846080              0.5758070        
P   15
  1  14454.2000000              0.0000040        
  2   3421.6760000              0.0000400        
  3   1111.3870000              0.0002290        
  4    425.1918000              0.0010190        
  5    180.2623000              0.0036020        
  6     82.0611700              0.0105500        
  7     39.2972600              0.0237020        
  8     19.4195900              0.0399880        
  9      9.8288990              0.0404370        
 10      5.0168100             -0.0120740        
 11      2.4870910             -0.1189390        
 12      1.1987800             -0.1781000        
 13      0.5586950             -0.1238650        
 14      0.2089240              0.4297220        
 15      0.0846080              0.6507860        
P   15
  1  14454.2000000              0.0000100        
  2   3421.6760000              0.0000790        
  3   1111.3870000              0.0005120        
  4    425.1918000              0.0020230        
  5    180.2623000              0.0080550        
  6     82.0611700              0.0207720        
  7     39.2972600              0.0542240        
  8     19.4195900              0.0746850        
  9      9.8288990              0.1159890        
 10      5.0168100             -0.0765840        
 11      2.4870910             -0.2439310        
 12      1.1987800             -0.6801810        
 13      0.5586950              0.7336640        
 14      0.2089240              0.9991200        
 15      0.0846080             -1.0170810        
P   1
  1      0.0332580              1.0000000        
D   7
  1     88.5768000              0.0036210        
  2     26.2045000              0.0257660        
  3      9.5174700              0.0975560        
  4      3.8224800              0.2363120        
  5      1.5751200              0.3582860        
  6      0.6289280              0.3685430        
  7      0.2344240              0.2354940        
D   7
  1     88.5768000             -0.0041220        
  2     26.2045000             -0.0293070        
  3      9.5174700             -0.1150620        
  4      3.8224800             -0.2730680        
  5      1.5751200             -0.3144230        
  6      0.6289280              0.0420970        
  7      0.2344240              0.5914030        
D   7
  1     88.5768000              0.0059540        
  2     26.2045000              0.0425320        
  3      9.5174700              0.1745110        
  4      3.8224800              0.3939000        
  5      1.5751200              0.1492790        
  6      0.6289280             -0.8102450        
  7      0.2344240              0.0109110        
D   1
  1      0.0768150              1.0000000        
F   1
  1      2.2510000              1.0000000        
F   1
  1      0.5315000              1.0000000        
G   1
  1      1.4459000              1.0000000        


name: cc-pVTZ-NR
description: TZ2P All-electron non-relativistic Valence Triple Zeta + Polarization
elt: Zn
data:
ZINC
S   19
  1 5820021.0000000             8.549241E-06     
  2 871523.4000000              6.64741E-05      
  3 198335.0000000              0.0003494962     
  4  56176.3100000              0.001473832      
  5  18325.8200000              0.00533833       
  6   6614.9550000              0.01712708       
  7   2579.1990000              0.04894085       
  8   1068.8490000              0.1217934        
  9    465.1045000              0.2476589        
 10    210.4130000              0.3582431        
 11     97.6162900              0.2798174        
 12     44.3802000              0.06857491       
 13     21.4230800             -0.001311092      
 14     10.3089100              0.001914001      
 15      4.5536450             -0.000875922      
 16      2.1328210              0.0003740096     
 17      0.9296970             -0.0001401399     
 18      0.1921470              4.757132E-05     
 19      0.0875950             -3.642711E-05     
S   19
  1 5820021.0000000            -2.640069E-06     
  2 871523.4000000             -2.05272E-05      
  3 198335.0000000             -0.0001079859     
  4  56176.3100000             -0.0004558577     
  5  18325.8200000             -0.001657758      
  6   6614.9550000             -0.005368492      
  7   2579.1990000             -0.01571249       
  8   1068.8490000             -0.04122558       
  9    465.1045000             -0.09406459       
 10    210.4130000             -0.1719954        
 11     97.6162900             -0.1958523        
 12     44.3802000              0.04532907       
 13     21.4230800              0.5244442        
 14     10.3089100              0.5006142        
 15      4.5536450              0.08945527       
 16      2.1328210             -0.002146262      
 17      0.9296970              0.002112113      
 18      0.1921470             -0.000413398      
 19      0.0875950              0.0003209752     
S   19
  1 5820021.0000000             9.967103E-07     
  2 871523.4000000              7.754163E-06     
  3 198335.0000000              4.076019E-05     
  4  56176.3100000              0.0001722811     
  5  18325.8200000              0.000625937      
  6   6614.9550000              0.002032855      
  7   2579.1990000              0.005954646      
  8   1068.8490000              0.0157664        
  9    465.1045000              0.03637638       
 10    210.4130000              0.06892343       
 11     97.6162900              0.08238093       
 12     44.3802000             -0.0201136        
 13     21.4230800             -0.3252526        
 14     10.3089100             -0.4602899        
 15      4.5536450              0.1635546        
 16      2.1328210              0.7297118        
 17      0.9296970              0.3769751        
 18      0.1921470              0.01433224       
 19      0.0875950             -0.00667121       
S   19
  1 5820021.0000000             1.995818E-07     
  2 871523.4000000              1.552973E-06     
  3 198335.0000000              8.161259E-06     
  4  56176.3100000              3.450747E-05     
  5  18325.8200000              0.0001253275     
  6   6614.9550000              0.000407299      
  7   2579.1990000              0.001192734      
  8   1068.8490000              0.00316314       
  9    465.1045000              0.007303942      
 10    210.4130000              0.01391279       
 11     97.6162900              0.0167062        
 12     44.3802000             -0.004035586      
 13     21.4230800             -0.06968861       
 14     10.3089100             -0.1030105        
 15      4.5536450              0.04471442       
 16      2.1328210              0.2150027        
 17      0.9296970              0.2220163        
 18      0.1921470             -0.3114776        
 19      0.0875950             -0.5693429        
S   19
  1 5820021.0000000            -5.43591E-07      
  2 871523.4000000             -4.336894E-06     
  3 198335.0000000             -2.197572E-05     
  4  56176.3100000             -9.747392E-05     
  5  18325.8200000             -0.0003331615     
  6   6614.9550000             -0.001166192      
  7   2579.1990000             -0.003119308      
  8   1068.8490000             -0.009239504      
  9    465.1045000             -0.01855471       
 10    210.4130000             -0.04281189       
 11     97.6162900             -0.03571095       
 12     44.3802000             -0.0163835        
 13     21.4230800              0.2644664        
 14     10.3089100              0.2086588        
 15      4.5536450             -0.01774382       
 16      2.1328210             -1.3538730        
 17      0.9296970              0.8182926        
 18      0.1921470              1.6950360        
 19      0.0875950             -1.3886560        
S   19
  1 5820021.0000000             8.040791E-07     
  2 871523.4000000              6.282936E-06     
  3 198335.0000000              3.281868E-05     
  4  56176.3100000              0.0001398858     
  5  18325.8200000              0.0005029836     
  6   6614.9550000              0.001655419      
  7   2579.1990000              0.004778677      
  8   1068.8490000              0.01292479       
  9    465.1045000              0.02925831       
 10    210.4130000              0.05791816       
 11     97.6162900              0.06640681       
 12     44.3802000             -0.007388966      
 13     21.4230800             -0.3329989        
 14     10.3089100             -0.5917865        
 15      4.5536450              0.9011406        
 16      2.1328210              1.5859510        
 17      0.9296970             -2.7880080        
 18      0.1921470              2.0718840        
 19      0.0875950             -0.6012025        
S   1
  1      0.0377020              1.0000000        
P   15
  1  24411.9800000              0.0000410        
  2   5778.5180000              0.0003610        
  3   1876.8620000              0.0020880        
  4    718.2361000              0.0092210        
  5    304.8327000              0.0327730        
  6    139.0453000              0.0941790        
  7     66.8041700              0.2091320        
  8     33.2069900              0.3345690        
  9     16.9281600              0.3303590        
 10      8.6962290              0.1523470        
 11      4.3505100              0.0229840        
 12      2.1165230              0.0016070        
 13      0.9953870              0.0004680        
 14      0.3781120              0.0000660        
 15      0.1345790             -0.0000020        
P   15
  1  24411.9800000             -0.0000150        
  2   5778.5180000             -0.0001350        
  3   1876.8620000             -0.0007820        
  4    718.2361000             -0.0034780        
  5    304.8327000             -0.0125200        
  6    139.0453000             -0.0370160        
  7     66.8041700             -0.0855590        
  8     33.2069900             -0.1447180        
  9     16.9281600             -0.1434420        
 10      8.6962290              0.0435950        
 11      4.3505100              0.3488880        
 12      2.1165230              0.4538650        
 13      0.9953870              0.2685940        
 14      0.3781120              0.0388680        
 15      0.1345790             -0.0024920        
P   15
  1  24411.9800000              0.0000030        
  2   5778.5180000              0.0000250        
  3   1876.8620000              0.0001440        
  4    718.2361000              0.0006450        
  5    304.8327000              0.0023110        
  6    139.0453000              0.0068980        
  7     66.8041700              0.0158820        
  8     33.2069900              0.0273500        
  9     16.9281600              0.0266210        
 10      8.6962290             -0.0108580        
 11      4.3505100             -0.0798530        
 12      2.1165230             -0.1061270        
 13      0.9953870             -0.0688830        
 14      0.3781120              0.1843850        
 15      0.1345790              0.5617880        
P   15
  1  24411.9800000              0.0000050        
  2   5778.5180000              0.0000420        
  3   1876.8620000              0.0002380        
  4    718.2361000              0.0010880        
  5    304.8327000              0.0038210        
  6    139.0453000              0.0116440        
  7     66.8041700              0.0261670        
  8     33.2069900              0.0467500        
  9     16.9281600              0.0433090        
 10      8.6962290             -0.0134290        
 11      4.3505100             -0.1538970        
 12      2.1165230             -0.1674130        
 13      0.9953870             -0.0849950        
 14      0.3781120              0.4508130        
 15      0.1345790              0.6408690        
P   15
  1  24411.9800000              0.0000120        
  2   5778.5180000              0.0000960        
  3   1876.8620000              0.0005940        
  4    718.2361000              0.0024840        
  5    304.8327000              0.0095370        
  6    139.0453000              0.0264790        
  7     66.8041700              0.0663660        
  8     33.2069900              0.1024580        
  9     16.9281600              0.1386830        
 10      8.6962290             -0.0801400        
 11      4.3505100             -0.4960690        
 12      2.1165230             -0.4635100        
 13      0.9953870              0.8745310        
 14      0.3781120              0.6297900        
 15      0.1345790             -0.8116860        
P   1
  1      0.0462820              1.0000000        
D   7
  1    205.6177000              0.0023420        
  2     61.4498100              0.0186060        
  3     23.0568900              0.0771020        
  4      9.5777390              0.2020260        
  5      4.1337340              0.3294540        
  6      1.7475180              0.3609760        
  7      0.6995600              0.2716570        
D   7
  1    205.6177000              0.0032790        
  2     61.4498100              0.0261760        
  3     23.0568900              0.1113670        
  4      9.5777390              0.3045810        
  5      4.1337340              0.3862990        
  6      1.7475180             -0.0583750        
  7      0.6995600             -0.5388760        
D   7
  1    205.6177000              0.0037400        
  2     61.4498100              0.0318250        
  3     23.0568900              0.1322290        
  4      9.5777390              0.4245500        
  5      4.1337340              0.1203700        
  6      1.7475180             -0.7626610        
  7      0.6995600             -0.1128230        
D   1
  1      0.2516080              1.0000000        
F   1
  1      5.7922000              1.0000000        
F   1
  1      1.4851000              1.0000000        
G   1
  1      4.1144000              1.0000000        


name: cc-pVTZ-PP
description: cc-pVTZ-PP for Hf - Pt
elt: Hf
data:
HAFNIUM
S   9
  1     26.5042000              0.0320170        
  2     16.5840000             -0.2583380        
  3     10.3831000              0.7419580        
  4      6.4955000             -0.5972460        
  5      3.4643100             -0.4674330        
  6      0.9862000              0.7814380        
  7      0.4578280              0.5337560        
  8      0.1321180              0.0363800        
  9      0.0669670             -0.0136480        
S   9
  1     26.5042000             -0.0092200        
  2     16.5840000              0.0766750        
  3     10.3831000             -0.2256410        
  4      6.4955000              0.1855680        
  5      3.4643100              0.1565490        
  6      0.9862000             -0.3114170        
  7      0.4578280             -0.3945230        
  8      0.1321180              0.2034830        
  9      0.0669670              0.6862960        
S   9
  1     26.5042000             -0.0051870        
  2     16.5840000              0.0780690        
  3     10.3831000             -0.2633410        
  4      6.4955000              0.1631730        
  5      3.4643100              0.4121450        
  6      0.9862000             -0.9279190        
  7      0.4578280             -0.3552850        
  8      0.1321180              2.5901110        
  9      0.0669670             -1.2877130        
S   9
  1     26.5042000              0.0266200        
  2     16.5840000             -0.0510920        
  3     10.3831000             -0.0133860        
  4      6.4955000             -0.2493960        
  5      3.4643100              1.1377230        
  6      0.9862000             -3.2919740        
  7      0.4578280              3.0952960        
  8      0.1321180              0.5233810        
  9      0.0669670             -2.9817690        
S   1
  1      0.0290100              1.0000000        
P   8
  1     15.2724000             -0.0249160        
  2      9.5703500              0.1349670        
  3      5.0361800             -0.3145280        
  4      1.1521500              0.4766040        
  5      0.5624010              0.4841910        
  6      0.2742040              0.1844940        
  7      0.1205050              0.0186390        
  8      0.0528120              0.0015040        
P   8
  1     15.2724000              0.0066140        
  2      9.5703500             -0.0369260        
  3      5.0361800              0.0887770        
  4      1.1521500             -0.1514170        
  5      0.5624010             -0.2041520        
  6      0.2742040             -0.0401350        
  7      0.1205050              0.3663260        
  8      0.0528120              0.5626960        
P   8
  1     15.2724000              0.0094170        
  2      9.5703500             -0.0530870        
  3      5.0361800              0.1282870        
  4      1.1521500             -0.2170080        
  5      0.5624010             -0.3251220        
  6      0.2742040             -0.0046510        
  7      0.1205050              0.7343430        
  8      0.0528120              0.3849980        
P   8
  1     15.2724000              0.0190460        
  2      9.5703500             -0.1039530        
  3      5.0361800              0.2510270        
  4      1.1521500             -0.5289630        
  5      0.5624010             -0.8006570        
  6      0.2742040              1.6510980        
  7      0.1205050              0.1195080        
  8      0.0528120             -0.9590230        
P   1
  1      0.0228910              1.0000000        
D   7
  1     11.9756000             -0.0014780        
  2      7.4799800              0.0187080        
  3      4.6738300             -0.0580870        
  4      1.1750300              0.1823340        
  5      0.5283500              0.3486640        
  6      0.2277570              0.3933500        
  7      0.0941690              0.2772230        
D   7
  1     11.9756000              0.0012390        
  2      7.4799800             -0.0202160        
  3      4.6738300              0.0669450        
  4      1.1750300             -0.2392560        
  5      0.5283500             -0.4736770        
  6      0.2277570             -0.0843030        
  7      0.0941690              0.6333300        
D   7
  1     11.9756000             -0.0031330        
  2      7.4799800              0.0334770        
  3      4.6738300             -0.1038090        
  4      1.1750300              0.4716820        
  5      0.5283500              0.5191890        
  6      0.2277570             -1.0917460        
  7      0.0941690              0.0084120        
D   1
  1      0.0366310              1.0000000        
F   1
  1      0.5521000              1.0000000        
F   1
  1      0.1605000              1.0000000        
G   1
  1      0.3579000              1.0000000        


name: cc-pVTZ-PP
description: cc-pVTZ-PP for Hf - Pt
elt: Ta
data:
TANTALUM
S   9
  1     27.1236000              0.0310530        
  2     16.9695000             -0.2562460        
  3     10.6228000              0.7537040        
  4      6.6449300             -0.6221810        
  5      3.5948000             -0.4709360        
  6      1.0504400              0.7957440        
  7      0.4928350              0.5320760        
  8      0.1487360              0.0359520        
  9      0.0722280             -0.0130440        
S   9
  1     27.1236000             -0.0090380        
  2     16.9695000              0.0776200        
  3     10.6228000             -0.2351160        
  4      6.6449300              0.1985680        
  5      3.5948000              0.1643530        
  6      1.0504400             -0.3367730        
  7      0.4928350             -0.3948460        
  8      0.1487360              0.2230040        
  9      0.0722280              0.6886390        
S   9
  1     27.1236000             -0.0036940        
  2     16.9695000              0.0741990        
  3     10.6228000             -0.2667320        
  4      6.6449300              0.1638740        
  5      3.5948000              0.4542910        
  6      1.0504400             -1.0387690        
  7      0.4928350             -0.2840230        
  8      0.1487360              2.4631730        
  9      0.0722280             -1.1724650        
S   9
  1     27.1236000              0.0199390        
  2     16.9695000             -0.0119830        
  3     10.6228000             -0.1263190        
  4      6.6449300             -0.1072520        
  5      3.5948000              1.0858150        
  6      1.0504400             -3.3698120        
  7      0.4928350              3.2164070        
  8      0.1487360              0.3284360        
  9      0.0722280             -2.7861580        
S   1
  1      0.0309970              1.0000000        
P   8
  1     15.5273000             -0.0247840        
  2      9.7259300              0.1412710        
  3      5.2380300             -0.3273280        
  4      1.2270200              0.4834390        
  5      0.6053810              0.4839520        
  6      0.2963140              0.1812620        
  7      0.1305110              0.0183560        
  8      0.0571160              0.0014010        
P   8
  1     15.5273000              0.0068180        
  2      9.7259300             -0.0402940        
  3      5.2380300              0.0966590        
  4      1.2270200             -0.1633710        
  5      0.6053810             -0.2142180        
  6      0.2963140             -0.0232540        
  7      0.1305110              0.3814550        
  8      0.0571160              0.5524390        
P   8
  1     15.5273000              0.0100470        
  2      9.7259300             -0.0601510        
  3      5.2380300              0.1452770        
  4      1.2270200             -0.2448290        
  5      0.6053810             -0.3637170        
  6      0.2963140              0.0650640        
  7      0.1305110              0.7639420        
  8      0.0571160              0.3237320        
P   8
  1     15.5273000              0.0206680        
  2      9.7259300             -0.1177830        
  3      5.2380300              0.2832870        
  4      1.2270200             -0.6451770        
  5      0.6053810             -0.6698480        
  6      0.2963140              1.6952860        
  7      0.1305110             -0.0513130        
  8      0.0571160             -0.8985720        
P   1
  1      0.0246790              1.0000000        
D   7
  1     12.1917000             -0.0017560        
  2      7.6161300              0.0229090        
  3      4.7595400             -0.0715900        
  4      1.2759000              0.1997750        
  5      0.5929460              0.3628730        
  6      0.2642870              0.3846300        
  7      0.1124950              0.2504110        
D   7
  1     12.1917000              0.0014680        
  2      7.6161300             -0.0248100        
  3      4.7595400              0.0829610        
  4      1.2759000             -0.2725710        
  5      0.5929460             -0.4890720        
  6      0.2642870             -0.0016350        
  7      0.1124950              0.6453820        
D   7
  1     12.1917000             -0.0034800        
  2      7.6161300              0.0408190        
  3      4.7595400             -0.1314870        
  4      1.2759000              0.5878110        
  5      0.5929460              0.4024980        
  6      0.2642870             -1.1685840        
  7      0.1124950              0.1607410        
D   1
  1      0.0447800              1.0000000        
F   1
  1      0.6951000              1.0000000        
F   1
  1      0.2086000              1.0000000        
G   1
  1      0.4780000              1.0000000        


name: cc-pVTZ-PP
description: cc-pVTZ-PP for Hf - Pt
elt: W
data:
TUNGSTEN
S   9
  1     28.3881000              0.0286980        
  2     17.7568000             -0.2410370        
  3     11.1120000              0.7152180        
  4      6.9493400             -0.5713300        
  5      3.8150600             -0.5072560        
  6      1.1124900              0.8128760        
  7      0.5254010              0.5252410        
  8      0.1615290              0.0346380        
  9      0.0764090             -0.0129350        
S   9
  1     28.3881000             -0.0084840        
  2     17.7568000              0.0745440        
  3     11.1120000             -0.2285180        
  4      6.9493400              0.1874400        
  5      3.8150600              0.1806120        
  6      1.1124900             -0.3615620        
  7      0.5254010             -0.3873630        
  8      0.1615290              0.2480770        
  9      0.0764090              0.6828620        
S   9
  1     28.3881000             -0.0018080        
  2     17.7568000              0.0639220        
  3     11.1120000             -0.2421830        
  4      6.9493400              0.1239880        
  5      3.8150600              0.5003090        
  6      1.1124900             -1.1225650        
  7      0.5254010             -0.1993080        
  8      0.1615290              2.3607790        
  9      0.0764090             -1.1023500        
S   9
  1     28.3881000              0.0138380        
  2     17.7568000              0.0202260        
  3     11.1120000             -0.2093720        
  4      6.9493400             -0.0130360        
  5      3.8150600              1.0461320        
  6      1.1124900             -3.4415170        
  7      0.5254010              3.3512290        
  8      0.1615290              0.1364630        
  9      0.0764090             -2.6080750        
S   1
  1      0.0326700              1.0000000        
P   8
  1     16.5554000             -0.0252630        
  2     10.3744000              0.1409610        
  3      5.5219000             -0.3299160        
  4      1.2890200              0.5017200        
  5      0.6355960              0.4805660        
  6      0.3096450              0.1689050        
  7      0.1370120              0.0157270        
  8      0.0599380              0.0014690        
P   8
  1     16.5554000              0.0071290        
  2     10.3744000             -0.0411130        
  3      5.5219000              0.0996190        
  4      1.2890200             -0.1760570        
  5      0.6355960             -0.2167410        
  6      0.3096450             -0.0011430        
  7      0.1370120              0.3928970        
  8      0.0599380              0.5406250        
P   8
  1     16.5554000              0.0109680        
  2     10.3744000             -0.0640750        
  3      5.5219000              0.1564780        
  4      1.2890200             -0.2790200        
  5      0.6355960             -0.3897030        
  6      0.3096450              0.1566280        
  7      0.1370120              0.7687580        
  8      0.0599380              0.2655370        
P   8
  1     16.5554000              0.0221780        
  2     10.3744000             -0.1230550        
  3      5.5219000              0.2995730        
  4      1.2890200             -0.7580510        
  5      0.6355960             -0.4980530        
  6      0.3096450              1.7176990        
  7      0.1370120             -0.2467290        
  8      0.0599380             -0.8204790        
P   1
  1      0.0258750              1.0000000        
D   7
  1     13.6383000             -0.0026060        
  2      8.5173400              0.0290880        
  3      5.3232800             -0.0831780        
  4      1.3931900              0.2105050        
  5      0.6543070              0.3794490        
  6      0.2943900              0.3825380        
  7      0.1257220              0.2279060        
D   7
  1     13.6383000              0.0025740        
  2      8.5173400             -0.0333260        
  3      5.3232800              0.1006620        
  4      1.3931900             -0.3117890        
  5      0.6543070             -0.5101020        
  6      0.2943900              0.1043210        
  7      0.1257220              0.6647930        
D   7
  1     13.6383000              0.0068120        
  2      8.5173400             -0.0594810        
  3      5.3232800              0.1659640        
  4      1.3931900             -0.7073810        
  5      0.6543070             -0.2548900        
  6      0.2943900              1.2651180        
  7      0.1257220             -0.4506990        
D   1
  1      0.0497170              1.0000000        
F   1
  1      0.8266000              1.0000000        
F   1
  1      0.2560000              1.0000000        
G   1
  1      0.6205000              1.0000000        


name: cc-pVTZ-PP
description: cc-pVTZ-PP for Hf - Pt
elt: Re
data:
RHENIUM
S   9
  1     30.4120000              0.0229870        
  2     19.0142000             -0.1976360        
  3     11.8921000              0.5813760        
  4      7.4336100             -0.3840040        
  5      4.1811300             -0.6002800        
  6      1.1685700              0.8264270        
  7      0.5539770              0.5102290        
  8      0.1707810              0.0365510        
  9      0.0792870             -0.0087660        
S   9
  1     30.4120000             -0.0072090        
  2     19.0142000              0.0645740        
  3     11.8921000             -0.1963520        
  4      7.4336100              0.1354270        
  5      4.1811300              0.2175540        
  6      1.1685700             -0.3902690        
  7      0.5539770             -0.3723360        
  8      0.1707810              0.2672200        
  9      0.0792870              0.6716710        
S   9
  1     30.4120000              0.0008190        
  2     19.0142000              0.0437380        
  3     11.8921000             -0.1772190        
  4      7.4336100              0.0197240        
  5      4.1811300              0.5658650        
  6      1.1685700             -1.1960450        
  7      0.5539770             -0.0926010        
  8      0.1707810              2.2639340        
  9      0.0792870             -1.0605870        
S   9
  1     30.4120000             -0.0059360        
  2     19.0142000             -0.0062770        
  3     11.8921000              0.0754730        
  4      7.4336100              0.0512310        
  5      4.1811300             -0.5040200        
  6      1.1685700              1.6252170        
  7      0.5539770             -1.6511890        
  8      0.1707810              0.1479060        
  9      0.0792870              0.9643860        
S   1
  1      0.0339090              1.0000000        
P   8
  1     18.3488000             -0.0168770        
  2     11.4877000              0.0929150        
  3      5.4325600             -0.2914010        
  4      1.3785900              0.4982270        
  5      0.6887660              0.4796070        
  6      0.3380830              0.1752920        
  7      0.1491600              0.0173410        
  8      0.0643210              0.0013480        
P   8
  1     18.3488000              0.0046080        
  2     11.4877000             -0.0268720        
  3      5.4325600              0.0889710        
  4      1.3785900             -0.1794810        
  5      0.6887660             -0.2111050        
  6      0.3380830             -0.0043780        
  7      0.1491600              0.3822050        
  8      0.0643210              0.5438540        
P   8
  1     18.3488000              0.0073690        
  2     11.4877000             -0.0437140        
  3      5.4325600              0.1463200        
  4      1.3785900             -0.3009630        
  5      0.6887660             -0.4000020        
  6      0.3380830              0.1900900        
  7      0.1491600              0.7604950        
  8      0.0643210              0.2562560        
P   8
  1     18.3488000              0.0150340        
  2     11.4877000             -0.0837840        
  3      5.4325600              0.2804860        
  4      1.3785900             -0.8342650        
  5      0.6887660             -0.4202230        
  6      0.3380830              1.7104440        
  7      0.1491600             -0.3011560        
  8      0.0643210             -0.7920800        
P   1
  1      0.0273440              1.0000000        
D   7
  1     13.8248000             -0.0010140        
  2      8.6358600              0.0200690        
  3      5.3969500             -0.0709260        
  4      1.4943200              0.2136340        
  5      0.7134790              0.3740960        
  6      0.3249100              0.3691180        
  7      0.1398360              0.2324990        
D   7
  1     13.8248000              0.0014410        
  2      8.6358600             -0.0233020        
  3      5.3969500              0.0813920        
  4      1.4943200             -0.2826220        
  5      0.7134790             -0.4844350        
  6      0.3249100              0.0772300        
  7      0.1398360              0.6339580        
D   7
  1     13.8248000             -0.0008920        
  2      8.6358600              0.0318260        
  3      5.3969500             -0.1289560        
  4      1.4943200              0.6891180        
  5      0.7134790              0.2530110        
  6      0.3249100             -1.1068680        
  7      0.1398360              0.1625610        
D   1
  1      0.0555530              1.0000000        
F   1
  1      0.9339000              1.0000000        
F   1
  1      0.2939000              1.0000000        
G   1
  1      0.7368000              1.0000000        


name: cc-pVTZ-PP
description: cc-pVTZ-PP for Hf - Pt
elt: Os
data:
OSMIUM
S   9
  1     32.3055000              0.0197370        
  2     20.1934000             -0.1722810        
  3     12.6258000              0.5020590        
  4      7.8902100             -0.2729310        
  5      4.4618300             -0.6628560        
  6      1.2361300              0.8403110        
  7      0.5888300              0.5041200        
  8      0.1832610              0.0360460        
  9      0.0839720             -0.0077430        
S   9
  1     32.3055000             -0.0065050        
  2     20.1934000              0.0585150        
  3     12.6258000             -0.1762530        
  4      7.8902100              0.1041850        
  5      4.4618300              0.2405050        
  6      1.2361300             -0.4093240        
  7      0.5888300             -0.3607630        
  8      0.1832610              0.2734870        
  9      0.0839720              0.6639500        
S   9
  1     32.3055000              0.0032420        
  2     20.1934000              0.0321220        
  3     12.6258000             -0.1472230        
  4      7.8902100             -0.0521880        
  5      4.4618300              0.6858550        
  6      1.2361300             -1.4787110        
  7      0.5888300              0.1833530        
  8      0.1832610              2.2357940        
  9      0.0839720             -1.2321000        
S   9
  1     32.3055000              0.0069550        
  2     20.1934000              0.0417920        
  3     12.6258000             -0.2181670        
  4      7.8902100             -0.1049580        
  5      4.4618300              1.2105800        
  6      1.2361300             -4.1259100        
  7      0.5888300              4.5902800        
  8      0.1832610             -1.6062050        
  9      0.0839720             -0.9747310        
S   1
  1      0.0358740              1.0000000        
P   8
  1     19.5631000             -0.0147080        
  2     12.2451000              0.0813650        
  3      5.5534200             -0.2865920        
  4      1.4628400              0.5046710        
  5      0.7345370              0.4803480        
  6      0.3605750              0.1720070        
  7      0.1566910              0.0167790        
  8      0.0663330              0.0010290        
P   8
  1     19.5631000              0.0038110        
  2     12.2451000             -0.0227510        
  3      5.5534200              0.0856230        
  4      1.4628400             -0.1797460        
  5      0.7345370             -0.2015160        
  6      0.3605750             -0.0014850        
  7      0.1566910              0.3717870        
  8      0.0663330              0.5436820        
P   8
  1     19.5631000              0.0068020        
  2     12.2451000             -0.0412110        
  3      5.5534200              0.1569900        
  4      1.4628400             -0.3433910        
  5      0.7345370             -0.4303710        
  6      0.3605750              0.2960230        
  7      0.1566910              0.7536120        
  8      0.0663330              0.1966590        
P   8
  1     19.5631000              0.0137510        
  2     12.2451000             -0.0773820        
  3      5.5534200              0.2953390        
  4      1.4628400             -0.9653980        
  5      0.7345370             -0.2465530        
  6      0.3605750              1.7281840        
  7      0.1566910             -0.5259660        
  8      0.0663330             -0.6793560        
P   1
  1      0.0277460              1.0000000        
D   7
  1     14.6857000             -0.0002690        
  2      9.1712400              0.0164940        
  3      5.7299200             -0.0666740        
  4      1.5875600              0.2245470        
  5      0.7672690              0.3796600        
  6      0.3528390              0.3618810        
  7      0.1530360              0.2216830        
D   7
  1     14.6857000              0.0012700        
  2      9.1712400             -0.0225880        
  3      5.7299200              0.0838610        
  4      1.5875600             -0.3263310        
  5      0.7672690             -0.5066390        
  6      0.3528390              0.1706070        
  7      0.1530360              0.6360850        
D   7
  1     14.6857000              0.0026700        
  2      9.1712400             -0.0374650        
  3      5.7299200              0.1404650        
  4      1.5875600             -0.8231180        
  5      0.7672690             -0.0536040        
  6      0.3528390              1.1529670        
  7      0.1530360             -0.4177890        
D   1
  1      0.0612280              1.0000000        
F   1
  1      1.0510000              1.0000000        
F   1
  1      0.3372000              1.0000000        
G   1
  1      0.8435000              1.0000000        


name: cc-pVTZ-PP
description: cc-pVTZ-PP for Hf - Pt
elt: Ir
data:
IRIDIUM
S   9
  1     34.2048000              0.0173300        
  2     21.3768000             -0.1532030        
  3     13.3624000              0.4419330        
  4      8.3483500             -0.1886920        
  5      4.7316300             -0.7122250        
  6      1.3078500              0.8529050        
  7      0.6243340              0.4997460        
  8      0.1938710              0.0352490        
  9      0.0879490             -0.0070780        
S   9
  1     34.2048000             -0.0060010        
  2     21.3768000              0.0538850        
  3     13.3624000             -0.1606020        
  4      8.3483500              0.0803950        
  5      4.7316300              0.2575940        
  6      1.3078500             -0.4237510        
  7      0.6243340             -0.3483540        
  8      0.1938710              0.2800310        
  9      0.0879490              0.6545570        
S   9
  1     34.2048000              0.0057000        
  2     21.3768000              0.0186860        
  3     13.3624000             -0.1098820        
  4      8.3483500             -0.1262300        
  5      4.7316300              0.7876390        
  6      1.3078500             -1.7027670        
  7      0.6243340              0.4383340        
  8      0.1938710              2.1004080        
  9      0.0879490             -1.2318660        
S   9
  1     34.2048000             -0.0001450        
  2     21.3768000              0.0001550        
  3     13.3624000              0.0004580        
  4      8.3483500              0.0027310        
  5      4.7316300             -0.0111600        
  6      1.3078500              0.0322630        
  7      0.6243340             -0.0309800        
  8      0.1938710             -0.0019260        
  9      0.0879490              0.0244470        
S   1
  1      0.0375390              1.0000000        
P   8
  1     20.7204000             -0.0132020        
  2     12.9677000              0.0739520        
  3      5.7222400             -0.2843120        
  4      1.5503800              0.5102230        
  5      0.7826600              0.4795020        
  6      0.3855150              0.1697720        
  7      0.1706090              0.0166680        
  8      0.0728290              0.0012420        
P   8
  1     20.7204000              0.0035200        
  2     12.9677000             -0.0215200        
  3      5.7222400              0.0890920        
  4      1.5503800             -0.1924180        
  5      0.7826600             -0.2089670        
  6      0.3855150              0.0046730        
  7      0.1706090              0.3828460        
  8      0.0728290              0.5399630        
P   8
  1     20.7204000              0.0068620        
  2     12.9677000             -0.0422290        
  3      5.7222400              0.1771470        
  4      1.5503800             -0.4201130        
  5      0.7826600             -0.4381970        
  6      0.3855150              0.4034530        
  7      0.1706090              0.7048150        
  8      0.0728290              0.1692730        
P   8
  1     20.7204000              0.0121460        
  2     12.9677000             -0.0723020        
  3      5.7222400              0.3121050        
  4      1.5503800             -1.1249840        
  5      0.7826600              0.0092840        
  6      0.3855150              1.6533010        
  7      0.1706090             -0.6527860        
  8      0.0728290             -0.6166420        
P   1
  1      0.0305710              1.0000000        
D   7
  1     91.4125000              0.0000240        
  2      9.7301300              0.0152170        
  3      6.0771200             -0.0657240        
  4      1.6882000              0.2340050        
  5      0.8237860              0.3845350        
  6      0.3820680              0.3558490        
  7      0.1669650              0.2119760        
D   7
  1     91.4125000             -0.0000130        
  2      9.7301300             -0.0183130        
  3      6.0771200              0.0780220        
  4      1.6882000             -0.3254460        
  5      0.8237860             -0.4793950        
  6      0.3820680              0.1391480        
  7      0.1669650              0.5831340        
D   7
  1     91.4125000             -0.0000080        
  2      9.7301300              0.0306140        
  3      6.0771200             -0.1301790        
  4      1.6882000              0.7766970        
  5      0.8237860              0.1046450        
  6      0.3820680             -1.0602650        
  7      0.1669650              0.1697160        
D   1
  1      0.0672310              1.0000000        
F   1
  1      1.1759000              1.0000000        
F   1
  1      0.3847000              1.0000000        
G   1
  1      0.9577000              1.0000000        


name: cc-pVTZ-PP
description: cc-pVTZ-PP for Hf - Pt
elt: Pt
data:
PLATINUM
S   9
  1     36.0064000              0.0156030        
  2     22.4991000             -0.1396000        
  3     14.0609000              0.3994690        
  4      8.7816100             -0.1277440        
  5      4.9923800             -0.7514510        
  6      1.3838500              0.8633270        
  7      0.6616170              0.4975940        
  8      0.2048820              0.0347580        
  9      0.0922300             -0.0065890        
S   9
  1     36.0064000             -0.0056780        
  2     22.4991000              0.0507550        
  3     14.0609000             -0.1500300        
  4      8.7816100              0.0639820        
  5      4.9923800              0.2704110        
  6      1.3838500             -0.4346570        
  7      0.6616170             -0.3372900        
  8      0.2048820              0.2814460        
  9      0.0922300              0.6455790        
S   9
  1     36.0064000              0.0070370        
  2     22.4991000              0.0105250        
  3     14.0609000             -0.0854980        
  4      8.7816100             -0.1765590        
  5      4.9923800              0.8567070        
  6      1.3838500             -1.8442100        
  7      0.6616170              0.6011560        
  8      0.2048820              1.9822930        
  9      0.0922300             -1.1764800        
S   9
  1     36.0064000             -0.0114450        
  2     22.4991000              0.1220440        
  3     14.0609000             -0.3759060        
  4      8.7816100              0.0553880        
  5      4.9923800              1.1335870        
  6      1.3838500             -4.2149190        
  7      0.6616170              4.8759410        
  8      0.2048820             -2.1659360        
  9      0.0922300             -0.4268040        
S   1
  1      0.0392640              1.0000000        
P   8
  1     21.5986000             -0.0125150        
  2     13.5160000              0.0715700        
  3      5.9203700             -0.2872760        
  4      1.6412600              0.5154190        
  5      0.8311310              0.4804610        
  6      0.4084300              0.1679960        
  7      0.1754270              0.0158600        
  8      0.0726850              0.0007950        
P   8
  1     21.5986000              0.0029600        
  2     13.5160000             -0.0191100        
  3      5.9203700              0.0838980        
  4      1.6412600             -0.1830090        
  5      0.8311310             -0.1878840        
  6      0.4084300             -0.0017870        
  7      0.1754270              0.3606710        
  8      0.0726850              0.5449210        
P   8
  1     21.5986000              0.0067690        
  2     13.5160000             -0.0429400        
  3      5.9203700              0.1894550        
  4      1.6412600             -0.4606470        
  5      0.8311310             -0.4463350        
  6      0.4084300              0.4896840        
  7      0.1754270              0.6825880        
  8      0.0726850              0.1279470        
P   8
  1     21.5986000              0.0116510        
  2     13.5160000             -0.0715220        
  3      5.9203700              0.3259640        
  4      1.6412600             -1.2148310        
  5      0.8311310              0.1587270        
  6      0.4084300              1.5953330        
  7      0.1754270             -0.7779330        
  8      0.0726850             -0.5304420        
P   1
  1      0.0297610              1.0000000        
D   7
  1     72.7562000              0.0000520        
  2     10.4742000              0.0126260        
  3      6.2509000             -0.0632410        
  4      1.8018500              0.2396470        
  5      0.8884540              0.3876720        
  6      0.4156650              0.3517440        
  7      0.1830800              0.2052900        
D   7
  1     72.7562000             -0.0000370        
  2     10.4742000             -0.0157890        
  3      6.2509000              0.0782970        
  4      1.8018500             -0.3582960        
  5      0.8884540             -0.4793250        
  6      0.4156650              0.1884070        
  7      0.1830800              0.5781450        
D   7
  1     72.7562000             -0.0000260        
  2     10.4742000              0.0271890        
  3      6.2509000             -0.1307380        
  4      1.8018500              0.8378570        
  5      0.8884540              0.0073940        
  6      0.4156650             -1.0612590        
  7      0.1830800              0.2490050        
D   1
  1      0.0742330              1.0000000        
F   1
  1      1.3040000              1.0000000        
F   1
  1      0.4337000              1.0000000        
G   1
  1      1.0772000              1.0000000        


name: cc-pVTZ-PP MP2 Fitting
description: cc-pVTZ-PP MP2 Fitting auxiliary basis set
elt: Hf
data:
HAFNIUM
S   1
  1      3.1198300              1.0000000        
S   1
  1      2.0954100              1.0000000        
S   1
  1      1.2904100              1.0000000        
S   1
  1      0.5791140              1.0000000        
S   1
  1      0.3085120              1.0000000        
S   1
  1      0.1474510              1.0000000        
S   1
  1      0.1077960              1.0000000        
S   1
  1      0.0502880              1.0000000        
S   1
  1      0.0084440              1.0000000        
S   1
  1      0.0053460              1.0000000        
P   1
  1      4.2640700              1.0000000        
P   1
  1      2.9824400              1.0000000        
P   1
  1      1.2017300              1.0000000        
P   1
  1      0.5056350              1.0000000        
P   1
  1      0.2486800              1.0000000        
P   1
  1      0.1754650              1.0000000        
P   1
  1      0.0818100              1.0000000        
P   1
  1      0.0456930              1.0000000        
P   1
  1      0.0104790              1.0000000        
P   1
  1      0.0058040              1.0000000        
D   1
  1      2.9237600              1.0000000        
D   1
  1      2.0130000              1.0000000        
D   1
  1      0.9348510              1.0000000        
D   1
  1      0.4056210              1.0000000        
D   1
  1      0.2616240              1.0000000        
D   1
  1      0.1366350              1.0000000        
D   1
  1      0.0701720              1.0000000        
D   1
  1      0.0257680              1.0000000        
D   1
  1      0.0083110              1.0000000        
F   1
  1      4.7280800              1.0000000        
F   1
  1      1.8383600              1.0000000        
F   1
  1      0.7847030              1.0000000        
F   1
  1      0.4857520              1.0000000        
F   1
  1      0.2319170              1.0000000        
F   1
  1      0.1242480              1.0000000        
F   1
  1      0.0580620              1.0000000        
G   1
  1      4.6415100              1.0000000        
G   1
  1      1.7877900              1.0000000        
G   1
  1      0.8285960              1.0000000        
G   1
  1      0.4236400              1.0000000        
G   1
  1      0.1894240              1.0000000        
G   1
  1      0.0870960              1.0000000        
H   1
  1      1.1813800              1.0000000        
H   1
  1      0.6521430              1.0000000        
H   1
  1      0.2838550              1.0000000        
I   1
  1      1.0265900              1.0000000        
I   1
  1      0.5264930              1.0000000        


name: cc-pVTZ-PP MP2 Fitting
description: cc-pVTZ-PP MP2 Fitting auxiliary basis set
elt: Ta
data:
TANTALUM
S   1
  1      3.2388700              1.0000000        
S   1
  1      2.2919700              1.0000000        
S   1
  1      1.5635400              1.0000000        
S   1
  1      0.7270380              1.0000000        
S   1
  1      0.4272420              1.0000000        
S   1
  1      0.2024190              1.0000000        
S   1
  1      0.1264610              1.0000000        
S   1
  1      0.0664140              1.0000000        
S   1
  1      0.0090290              1.0000000        
S   1
  1      0.0063820              1.0000000        
P   1
  1      4.6694400              1.0000000        
P   1
  1      3.3005000              1.0000000        
P   1
  1      1.3624500              1.0000000        
P   1
  1      0.6924430              1.0000000        
P   1
  1      0.3354190              1.0000000        
P   1
  1      0.2101290              1.0000000        
P   1
  1      0.0992090              1.0000000        
P   1
  1      0.0552880              1.0000000        
P   1
  1      0.0135560              1.0000000        
P   1
  1      0.0068200              1.0000000        
D   1
  1      3.0349500              1.0000000        
D   1
  1      2.1648400              1.0000000        
D   1
  1      1.1664600              1.0000000        
D   1
  1      0.5179940              1.0000000        
D   1
  1      0.3149280              1.0000000        
D   1
  1      0.1601620              1.0000000        
D   1
  1      0.0769350              1.0000000        
D   1
  1      0.0373480              1.0000000        
D   1
  1      0.0103620              1.0000000        
F   1
  1      4.8517100              1.0000000        
F   1
  1      2.0945100              1.0000000        
F   1
  1      0.9839920              1.0000000        
F   1
  1      0.5574050              1.0000000        
F   1
  1      0.2804610              1.0000000        
F   1
  1      0.1410670              1.0000000        
F   1
  1      0.0643640              1.0000000        
G   1
  1      5.0472600              1.0000000        
G   1
  1      2.0994600              1.0000000        
G   1
  1      1.0106400              1.0000000        
G   1
  1      0.5432370              1.0000000        
G   1
  1      0.2362720              1.0000000        
G   1
  1      0.1127130              1.0000000        
H   1
  1      1.4125300              1.0000000        
H   1
  1      0.7963350              1.0000000        
H   1
  1      0.3674280              1.0000000        
I   1
  1      1.3383200              1.0000000        
I   1
  1      0.7056150              1.0000000        


name: cc-pVTZ-PP MP2 Fitting
description: cc-pVTZ-PP MP2 Fitting auxiliary basis set
elt: W
data:
TUNGSTEN
S   1
  1      3.6136100              1.0000000        
S   1
  1      2.6177100              1.0000000        
S   1
  1      1.8697900              1.0000000        
S   1
  1      0.9255860              1.0000000        
S   1
  1      0.5361510              1.0000000        
S   1
  1      0.2427340              1.0000000        
S   1
  1      0.1345500              1.0000000        
S   1
  1      0.0799610              1.0000000        
S   1
  1      0.0111070              1.0000000        
S   1
  1      0.0073940              1.0000000        
P   1
  1      5.4321900              1.0000000        
P   1
  1      3.7781600              1.0000000        
P   1
  1      1.5604400              1.0000000        
P   1
  1      0.8539400              1.0000000        
P   1
  1      0.4254130              1.0000000        
P   1
  1      0.2448210              1.0000000        
P   1
  1      0.1116080              1.0000000        
P   1
  1      0.0603520              1.0000000        
P   1
  1      0.0214130              1.0000000        
P   1
  1      0.0087330              1.0000000        
D   1
  1      3.1054400              1.0000000        
D   1
  1      2.4071400              1.0000000        
D   1
  1      1.4004600              1.0000000        
D   1
  1      0.6457360              1.0000000        
D   1
  1      0.3737090              1.0000000        
D   1
  1      0.1810680              1.0000000        
D   1
  1      0.0861630              1.0000000        
D   1
  1      0.0489730              1.0000000        
D   1
  1      0.0129300              1.0000000        
F   1
  1      4.9812500              1.0000000        
F   1
  1      2.3395200              1.0000000        
F   1
  1      1.1551500              1.0000000        
F   1
  1      0.6187940              1.0000000        
F   1
  1      0.3252360              1.0000000        
F   1
  1      0.1566110              1.0000000        
F   1
  1      0.0706510              1.0000000        
G   1
  1      5.5479800              1.0000000        
G   1
  1      2.2108000              1.0000000        
G   1
  1      1.0444400              1.0000000        
G   1
  1      0.5979300              1.0000000        
G   1
  1      0.2562890              1.0000000        
G   1
  1      0.1320860              1.0000000        
H   1
  1      1.6374900              1.0000000        
H   1
  1      0.9365840              1.0000000        
H   1
  1      0.4452730              1.0000000        
I   1
  1      1.6215600              1.0000000        
I   1
  1      0.8995830              1.0000000        


name: cc-pVTZ-PP MP2 Fitting
description: cc-pVTZ-PP MP2 Fitting auxiliary basis set
elt: Re
data:
RHENIUM
S   1
  1      4.7716400              1.0000000        
S   1
  1      3.5787600              1.0000000        
S   1
  1      2.6468500              1.0000000        
S   1
  1      1.4939600              1.0000000        
S   1
  1      0.5505530              1.0000000        
S   1
  1      0.2941010              1.0000000        
S   1
  1      0.1491870              1.0000000        
S   1
  1      0.1020130              1.0000000        
S   1
  1      0.0251690              1.0000000        
S   1
  1      0.0093820              1.0000000        
P   1
  1      5.6555000              1.0000000        
P   1
  1      3.7037900              1.0000000        
P   1
  1      1.7957100              1.0000000        
P   1
  1      0.9370260              1.0000000        
P   1
  1      0.4650560              1.0000000        
P   1
  1      0.3246440              1.0000000        
P   1
  1      0.1266200              1.0000000        
P   1
  1      0.0820010              1.0000000        
P   1
  1      0.0366590              1.0000000        
P   1
  1      0.0179870              1.0000000        
D   1
  1      3.3729800              1.0000000        
D   1
  1      2.5631800              1.0000000        
D   1
  1      1.5708200              1.0000000        
D   1
  1      0.6963790              1.0000000        
D   1
  1      0.4014680              1.0000000        
D   1
  1      0.2015950              1.0000000        
D   1
  1      0.1098750              1.0000000        
D   1
  1      0.0691420              1.0000000        
D   1
  1      0.0179060              1.0000000        
F   1
  1      5.1983000              1.0000000        
F   1
  1      2.3505100              1.0000000        
F   1
  1      1.4109500              1.0000000        
F   1
  1      0.7910990              1.0000000        
F   1
  1      0.4188430              1.0000000        
F   1
  1      0.2378610              1.0000000        
F   1
  1      0.1452030              1.0000000        
G   1
  1      5.5043400              1.0000000        
G   1
  1      2.5819000              1.0000000        
G   1
  1      1.2057300              1.0000000        
G   1
  1      0.8641390              1.0000000        
G   1
  1      0.3323900              1.0000000        
G   1
  1      0.1811640              1.0000000        
H   1
  1      1.8367400              1.0000000        
H   1
  1      1.0726400              1.0000000        
H   1
  1      0.5391340              1.0000000        
I   1
  1      1.9203900              1.0000000        
I   1
  1      1.1004900              1.0000000        


name: cc-pVTZ-PP MP2 Fitting
description: cc-pVTZ-PP MP2 Fitting auxiliary basis set
elt: Os
data:
OSMIUM
S   1
  1      4.4739700              1.0000000        
S   1
  1      3.0890100              1.0000000        
S   1
  1      2.3999400              1.0000000        
S   1
  1      1.2117200              1.0000000        
S   1
  1      0.6199830              1.0000000        
S   1
  1      0.2828470              1.0000000        
S   1
  1      0.1355540              1.0000000        
S   1
  1      0.0871450              1.0000000        
S   1
  1      0.0163710              1.0000000        
S   1
  1      0.0104730              1.0000000        
P   1
  1      5.9560700              1.0000000        
P   1
  1      3.8163300              1.0000000        
P   1
  1      2.0480600              1.0000000        
P   1
  1      1.0186900              1.0000000        
P   1
  1      0.5560210              1.0000000        
P   1
  1      0.3007070              1.0000000        
P   1
  1      0.1111090              1.0000000        
P   1
  1      0.0834790              1.0000000        
P   1
  1      0.0375940              1.0000000        
P   1
  1      0.0131850              1.0000000        
D   1
  1      3.5272700              1.0000000        
D   1
  1      2.7572100              1.0000000        
D   1
  1      1.8487300              1.0000000        
D   1
  1      0.8150010              1.0000000        
D   1
  1      0.4848950              1.0000000        
D   1
  1      0.2128260              1.0000000        
D   1
  1      0.1115810              1.0000000        
D   1
  1      0.0739600              1.0000000        
D   1
  1      0.0206680              1.0000000        
F   1
  1      5.3452900              1.0000000        
F   1
  1      2.5726900              1.0000000        
F   1
  1      1.4231200              1.0000000        
F   1
  1      0.6993230              1.0000000        
F   1
  1      0.3968710              1.0000000        
F   1
  1      0.1824960              1.0000000        
F   1
  1      0.0824070              1.0000000        
G   1
  1      6.3763700              1.0000000        
G   1
  1      2.5186600              1.0000000        
G   1
  1      1.2394000              1.0000000        
G   1
  1      0.6691610              1.0000000        
G   1
  1      0.3032870              1.0000000        
G   1
  1      0.1592020              1.0000000        
H   1
  1      2.0179600              1.0000000        
H   1
  1      1.1731400              1.0000000        
H   1
  1      0.5824040              1.0000000        
I   1
  1      2.0323400              1.0000000        
I   1
  1      1.1995900              1.0000000        


name: cc-pVTZ-PP MP2 Fitting
description: cc-pVTZ-PP MP2 Fitting auxiliary basis set
elt: Ir
data:
IRIDIUM
S   1
  1      5.1767200              1.0000000        
S   1
  1      3.5777000              1.0000000        
S   1
  1      2.7639900              1.0000000        
S   1
  1      1.5130800              1.0000000        
S   1
  1      0.6782180              1.0000000        
S   1
  1      0.3194760              1.0000000        
S   1
  1      0.1558520              1.0000000        
S   1
  1      0.0932380              1.0000000        
S   1
  1      0.0267630              1.0000000        
S   1
  1      0.0123890              1.0000000        
P   1
  1      6.3922500              1.0000000        
P   1
  1      3.9500700              1.0000000        
P   1
  1      2.3461900              1.0000000        
P   1
  1      1.1450600              1.0000000        
P   1
  1      0.6600070              1.0000000        
P   1
  1      0.3588410              1.0000000        
P   1
  1      0.1499660              1.0000000        
P   1
  1      0.1036920              1.0000000        
P   1
  1      0.0496450              1.0000000        
P   1
  1      0.0174200              1.0000000        
D   1
  1      3.7810400              1.0000000        
D   1
  1      3.0475900              1.0000000        
D   1
  1      2.2793100              1.0000000        
D   1
  1      0.9269320              1.0000000        
D   1
  1      0.5381010              1.0000000        
D   1
  1      0.2746160              1.0000000        
D   1
  1      0.1216780              1.0000000        
D   1
  1      0.0825370              1.0000000        
D   1
  1      0.0308160              1.0000000        
F   1
  1      5.5682900              1.0000000        
F   1
  1      2.8136100              1.0000000        
F   1
  1      1.6733800              1.0000000        
F   1
  1      0.8736480              1.0000000        
F   1
  1      0.5060520              1.0000000        
F   1
  1      0.2421560              1.0000000        
F   1
  1      0.0914120              1.0000000        
G   1
  1      7.5116900              1.0000000        
G   1
  1      3.0057000              1.0000000        
G   1
  1      1.5672500              1.0000000        
G   1
  1      1.0081610              1.0000000        
G   1
  1      0.4176050              1.0000000        
G   1
  1      0.2176160              1.0000000        
H   1
  1      2.2491200              1.0000000        
H   1
  1      1.3620700              1.0000000        
H   1
  1      0.6868550              1.0000000        
I   1
  1      2.3187800              1.0000000        
I   1
  1      1.3909700              1.0000000        


name: cc-pVTZ-PP MP2 Fitting
description: cc-pVTZ-PP MP2 Fitting auxiliary basis set
elt: Pt
data:
PLATINUM
S   1
  1      6.1305200              1.0000000        
S   1
  1      4.0660100              1.0000000        
S   1
  1      2.9628700              1.0000000        
S   1
  1      1.6612100              1.0000000        
S   1
  1      0.8100970              1.0000000        
S   1
  1      0.3399450              1.0000000        
S   1
  1      0.1901450              1.0000000        
S   1
  1      0.1028010              1.0000000        
S   1
  1      0.0382890              1.0000000        
S   1
  1      0.0199330              1.0000000        
P   1
  1      6.9532900              1.0000000        
P   1
  1      4.1130500              1.0000000        
P   1
  1      2.7957800              1.0000000        
P   1
  1      1.4479700              1.0000000        
P   1
  1      0.8107610              1.0000000        
P   1
  1      0.4383160              1.0000000        
P   1
  1      0.2071000              1.0000000        
P   1
  1      0.1055190              1.0000000        
P   1
  1      0.0581880              1.0000000        
P   1
  1      0.0252980              1.0000000        
D   1
  1      4.2768200              1.0000000        
D   1
  1      3.3198700              1.0000000        
D   1
  1      2.5469100              1.0000000        
D   1
  1      1.2368100              1.0000000        
D   1
  1      0.5805070              1.0000000        
D   1
  1      0.3257320              1.0000000        
D   1
  1      0.1554420              1.0000000        
D   1
  1      0.0930930              1.0000000        
D   1
  1      0.0404690              1.0000000        
F   1
  1      5.8710200              1.0000000        
F   1
  1      3.0234500              1.0000000        
F   1
  1      1.7547200              1.0000000        
F   1
  1      0.8547130              1.0000000        
F   1
  1      0.4989610              1.0000000        
F   1
  1      0.2349000              1.0000000        
F   1
  1      0.0908070              1.0000000        
G   1
  1      7.7172600              1.0000000        
G   1
  1      3.0401700              1.0000000        
G   1
  1      1.5881600              1.0000000        
G   1
  1      0.9300910              1.0000000        
G   1
  1      0.4149940              1.0000000        
G   1
  1      0.2099720              1.0000000        
H   1
  1      2.4381500              1.0000000        
H   1
  1      1.4414600              1.0000000        
H   1
  1      0.7407190              1.0000000        
I   1
  1      2.5327300              1.0000000        
I   1
  1      1.5329100              1.0000000        


name: cc-pVTZ-PP-RI
elt: Ga
data:
GALLIUM
S   1
  1     26.085300000            1.0000000        
S   1
  1     14.027600000            1.0000000        
S   1
  1      5.0977000000           1.0000000        
S   1
  1      1.4491000000           1.0000000        
S   1
  1      0.62846700000          1.0000000        
S   1
  1      0.31645200000          1.0000000        
S   1
  1      0.18462900000          1.0000000        
S   1
  1      0.89763400000E-01            1.0000000        
P   1
  1     22.851400000            1.0000000        
P   1
  1     15.000400000            1.0000000        
P   1
  1      6.9335600000           1.0000000        
P   1
  1      2.1187800000           1.0000000        
P   1
  1      1.0355000000           1.0000000        
P   1
  1      0.45642700000          1.0000000        
P   1
  1      0.22801000000          1.0000000        
P   1
  1      0.11448400000          1.0000000        
D   1
  1     26.004100000            1.0000000        
D   1
  1      7.2843800000           1.0000000        
D   1
  1      2.0686900000           1.0000000        
D   1
  1      1.0982700000           1.0000000        
D   1
  1      0.46837600000          1.0000000        
D   1
  1      0.21944200000          1.0000000        
D   1
  1      0.12131500000          1.0000000        
F   1
  1     10.068400000            1.0000000        
F   1
  1      3.5311700000           1.0000000        
F   1
  1      1.3921000000           1.0000000        
F   1
  1      0.45826900000          1.0000000        
F   1
  1      0.19394900000          1.0000000        
G   1
  1     21.482500000            1.0000000        
G   1
  1      6.9609000000           1.0000000        
G   1
  1      1.1415100000           1.0000000        
G   1
  1      0.43764900000          1.0000000        
H   1
  1      1.1052000000           1.0000000        


name: cc-pVTZ-PP-RI
elt: Ge
data:
GERMANIUM
S   1
  1     27.022100000            1.0000000        
S   1
  1     14.658300000            1.0000000        
S   1
  1      5.7465300000           1.0000000        
S   1
  1      1.7408100000           1.0000000        
S   1
  1      0.85926900000          1.0000000        
S   1
  1      0.46762700000          1.0000000        
S   1
  1      0.24356000000          1.0000000        
S   1
  1      0.11468300000          1.0000000        
P   1
  1     27.054500000            1.0000000        
P   1
  1     17.341900000            1.0000000        
P   1
  1      7.0497400000           1.0000000        
P   1
  1      2.1209100000           1.0000000        
P   1
  1      1.1242300000           1.0000000        
P   1
  1      0.55398100000          1.0000000        
P   1
  1      0.28749700000          1.0000000        
P   1
  1      0.16429500000          1.0000000        
D   1
  1     27.851900000            1.0000000        
D   1
  1      8.1062300000           1.0000000        
D   1
  1      2.4892400000           1.0000000        
D   1
  1      1.2845200000           1.0000000        
D   1
  1      0.58846800000          1.0000000        
D   1
  1      0.30050100000          1.0000000        
D   1
  1      0.14904600000          1.0000000        
F   1
  1     11.338700000            1.0000000        
F   1
  1      4.1667600000           1.0000000        
F   1
  1      1.7344500000           1.0000000        
F   1
  1      0.57468300000          1.0000000        
F   1
  1      0.26450000000          1.0000000        
G   1
  1     24.698700000            1.0000000        
G   1
  1      8.2452200000           1.0000000        
G   1
  1      1.4372900000           1.0000000        
G   1
  1      0.53698300000          1.0000000        
H   1
  1      1.3661300000           1.0000000        


name: cc-pVTZ-PP-RI
elt: As
data:
ARSENIC
S   1
  1     29.058300000            1.0000000        
S   1
  1     15.231100000            1.0000000        
S   1
  1      6.5939300000           1.0000000        
S   1
  1      2.1108900000           1.0000000        
S   1
  1      1.0838700000           1.0000000        
S   1
  1      0.61087600000          1.0000000        
S   1
  1      0.32241600000          1.0000000        
S   1
  1      0.14848100000          1.0000000        
P   1
  1     29.156300000            1.0000000        
P   1
  1     17.691100000            1.0000000        
P   1
  1      7.7999200000           1.0000000        
P   1
  1      2.2392800000           1.0000000        
P   1
  1      1.2152000000           1.0000000        
P   1
  1      0.61125900000          1.0000000        
P   1
  1      0.35059200000          1.0000000        
P   1
  1      0.19522300000          1.0000000        
D   1
  1     30.290800000            1.0000000        
D   1
  1      8.8832900000           1.0000000        
D   1
  1      2.8117500000           1.0000000        
D   1
  1      1.3936100000           1.0000000        
D   1
  1      0.72369700000          1.0000000        
D   1
  1      0.36976000000          1.0000000        
D   1
  1      0.18278900000          1.0000000        
F   1
  1     12.573800000            1.0000000        
F   1
  1      4.7535400000           1.0000000        
F   1
  1      2.1009900000           1.0000000        
F   1
  1      0.70346900000          1.0000000        
F   1
  1      0.33584500000          1.0000000        
G   1
  1     28.585900000            1.0000000        
G   1
  1      9.6059500000           1.0000000        
G   1
  1      1.7643700000           1.0000000        
G   1
  1      0.65304000000          1.0000000        
H   1
  1      1.6879200000           1.0000000        


name: cc-pVTZ-PP-RI
elt: Se
data:
SELENIUM
S   1
  1     31.350700000            1.0000000        
S   1
  1     16.349000000            1.0000000        
S   1
  1      7.1539500000           1.0000000        
S   1
  1      2.3080700000           1.0000000        
S   1
  1      1.2166900000           1.0000000        
S   1
  1      0.69281800000          1.0000000        
S   1
  1      0.38990600000          1.0000000        
S   1
  1      0.16616000000          1.0000000        
P   1
  1     33.692000000            1.0000000        
P   1
  1     19.606300000            1.0000000        
P   1
  1      8.4766100000           1.0000000        
P   1
  1      2.4987900000           1.0000000        
P   1
  1      1.3901000000           1.0000000        
P   1
  1      0.67597900000          1.0000000        
P   1
  1      0.42099200000          1.0000000        
P   1
  1      0.22624000000          1.0000000        
D   1
  1     32.333600000            1.0000000        
D   1
  1      9.7474200000           1.0000000        
D   1
  1      3.2440600000           1.0000000        
D   1
  1      1.6270400000           1.0000000        
D   1
  1      0.85315600000          1.0000000        
D   1
  1      0.45197400000          1.0000000        
D   1
  1      0.21479500000          1.0000000        
F   1
  1     13.573000000            1.0000000        
F   1
  1      5.3706700000           1.0000000        
F   1
  1      2.3694900000           1.0000000        
F   1
  1      0.84291000000          1.0000000        
F   1
  1      0.39772300000          1.0000000        
G   1
  1     31.603800000            1.0000000        
G   1
  1     10.837000000            1.0000000        
G   1
  1      2.0890700000           1.0000000        
G   1
  1      0.72838500000          1.0000000        
H   1
  1      1.9346000000           1.0000000        


name: cc-pVTZ-PP-RI
elt: Br
data:
BROMINE
S   1
  1     33.095900000            1.0000000        
S   1
  1     16.994700000            1.0000000        
S   1
  1      8.0208700000           1.0000000        
S   1
  1      2.8892100000           1.0000000        
S   1
  1      1.4707100000           1.0000000        
S   1
  1      0.83456000000          1.0000000        
S   1
  1      0.49254800000          1.0000000        
S   1
  1      0.19571000000          1.0000000        
P   1
  1     35.304300000            1.0000000        
P   1
  1     20.315900000            1.0000000        
P   1
  1      9.3461000000           1.0000000        
P   1
  1      2.8907600000           1.0000000        
P   1
  1      1.6581800000           1.0000000        
P   1
  1      0.79670900000          1.0000000        
P   1
  1      0.49057600000          1.0000000        
P   1
  1      0.27131400000          1.0000000        
D   1
  1     34.733000000            1.0000000        
D   1
  1     10.642800000            1.0000000        
D   1
  1      3.8053100000           1.0000000        
D   1
  1      1.8835100000           1.0000000        
D   1
  1      1.0051800000           1.0000000        
D   1
  1      0.54701000000          1.0000000        
D   1
  1      0.26126100000          1.0000000        
F   1
  1     14.848600000            1.0000000        
F   1
  1      5.7610800000           1.0000000        
F   1
  1      2.7623000000           1.0000000        
F   1
  1      0.99523300000          1.0000000        
F   1
  1      0.46736100000          1.0000000        
G   1
  1     34.948900000            1.0000000        
G   1
  1     12.169400000            1.0000000        
G   1
  1      2.4703600000           1.0000000        
G   1
  1      0.86966800000          1.0000000        
H   1
  1      2.3177500000           1.0000000        


name: cc-pVTZ-PP-RI
elt: Kr
data:
KRYPTON
S   1
  1     34.002400000            1.0000000        
S   1
  1     18.696400000            1.0000000        
S   1
  1      9.1950800000           1.0000000        
S   1
  1      3.7603400000           1.0000000        
S   1
  1      1.8929100000           1.0000000        
S   1
  1      1.0223300000           1.0000000        
S   1
  1      0.58045700000          1.0000000        
S   1
  1      0.23691200000          1.0000000        
P   1
  1     39.375000000            1.0000000        
P   1
  1     22.798200000            1.0000000        
P   1
  1      9.8250300000           1.0000000        
P   1
  1      3.3068600000           1.0000000        
P   1
  1      1.8503400000           1.0000000        
P   1
  1      0.93390300000          1.0000000        
P   1
  1      0.57515100000          1.0000000        
P   1
  1      0.31061400000          1.0000000        
D   1
  1     36.415500000            1.0000000        
D   1
  1     11.536500000            1.0000000        
D   1
  1      4.5160000000           1.0000000        
D   1
  1      2.2862400000           1.0000000        
D   1
  1      1.1553000000           1.0000000        
D   1
  1      0.68716500000          1.0000000        
D   1
  1      0.30397100000          1.0000000        
F   1
  1     16.137300000            1.0000000        
F   1
  1      6.2015700000           1.0000000        
F   1
  1      3.1570100000           1.0000000        
F   1
  1      1.1531700000           1.0000000        
F   1
  1      0.54189300000          1.0000000        
G   1
  1     38.332800000            1.0000000        
G   1
  1     13.451500000            1.0000000        
G   1
  1      2.8906100000           1.0000000        
G   1
  1      1.0396700000           1.0000000        
H   1
  1      2.7789700000           1.0000000        


name: cc-pVTZ-PP-RI
elt: In
data:
INDIUM
S   1
  1      9.3853300000           1.0000000        
S   1
  1      5.6265100000           1.0000000        
S   1
  1      3.1405700000           1.0000000        
S   1
  1      1.4801100000           1.0000000        
S   1
  1      0.71453000000          1.0000000        
S   1
  1      0.35131600000          1.0000000        
S   1
  1      0.18121000000          1.0000000        
S   1
  1      0.10803500000          1.0000000        
P   1
  1     11.312100000            1.0000000        
P   1
  1      6.6492600000           1.0000000        
P   1
  1      3.5049800000           1.0000000        
P   1
  1      1.6235700000           1.0000000        
P   1
  1      0.77727900000          1.0000000        
P   1
  1      0.34903400000          1.0000000        
P   1
  1      0.22154900000          1.0000000        
P   1
  1      0.10106200000          1.0000000        
D   1
  1      7.4721200000           1.0000000        
D   1
  1      4.0190200000           1.0000000        
D   1
  1      1.8384200000           1.0000000        
D   1
  1      0.83988400000          1.0000000        
D   1
  1      0.39779400000          1.0000000        
D   1
  1      0.19083200000          1.0000000        
D   1
  1      0.11673000000          1.0000000        
F   1
  1     12.324500000            1.0000000        
F   1
  1      3.8319300000           1.0000000        
F   1
  1      1.0117400000           1.0000000        
F   1
  1      0.38803300000          1.0000000        
F   1
  1      0.15679900000          1.0000000        
G   1
  1      3.9141300000           1.0000000        
G   1
  1      0.78170900000          1.0000000        
G   1
  1      0.39305000000          1.0000000        
H   1
  1      0.88975400000          1.0000000        


name: cc-pVTZ-PP-RI
elt: Sn
data:
TIN
S   1
  1     10.882300000            1.0000000        
S   1
  1      6.7503900000           1.0000000        
S   1
  1      3.8579000000           1.0000000        
S   1
  1      2.2040100000           1.0000000        
S   1
  1      0.99746500000          1.0000000        
S   1
  1      0.40775500000          1.0000000        
S   1
  1      0.20356000000          1.0000000        
S   1
  1      0.11612400000          1.0000000        
P   1
  1     12.295600000            1.0000000        
P   1
  1      7.5283400000           1.0000000        
P   1
  1      3.7258100000           1.0000000        
P   1
  1      1.7504100000           1.0000000        
P   1
  1      0.89215100000          1.0000000        
P   1
  1      0.41231600000          1.0000000        
P   1
  1      0.26398400000          1.0000000        
P   1
  1      0.13138200000          1.0000000        
D   1
  1      8.2270000000           1.0000000        
D   1
  1      4.3549400000           1.0000000        
D   1
  1      2.0575300000           1.0000000        
D   1
  1      0.94046300000          1.0000000        
D   1
  1      0.51610400000          1.0000000        
D   1
  1      0.24338200000          1.0000000        
D   1
  1      0.14772200000          1.0000000        
F   1
  1     13.785300000            1.0000000        
F   1
  1      4.2054300000           1.0000000        
F   1
  1      1.2263300000           1.0000000        
F   1
  1      0.45891500000          1.0000000        
F   1
  1      0.21444900000          1.0000000        
G   1
  1      4.4679200000           1.0000000        
G   1
  1      0.94333700000          1.0000000        
G   1
  1      0.43835900000          1.0000000        
H   1
  1      1.0305800000           1.0000000        


name: cc-pVTZ-PP-RI
elt: Sb
data:
ANTIMONY
S   1
  1     12.260300000            1.0000000        
S   1
  1      7.7057600000           1.0000000        
S   1
  1      4.5908200000           1.0000000        
S   1
  1      2.7986200000           1.0000000        
S   1
  1      1.3396300000           1.0000000        
S   1
  1      0.50656500000          1.0000000        
S   1
  1      0.24407300000          1.0000000        
S   1
  1      0.14278700000          1.0000000        
P   1
  1     13.400500000            1.0000000        
P   1
  1      8.0301300000           1.0000000        
P   1
  1      4.0616800000           1.0000000        
P   1
  1      1.9319400000           1.0000000        
P   1
  1      0.99541500000          1.0000000        
P   1
  1      0.45451800000          1.0000000        
P   1
  1      0.29878700000          1.0000000        
P   1
  1      0.15879900000          1.0000000        
D   1
  1      8.8618500000           1.0000000        
D   1
  1      4.5473000000           1.0000000        
D   1
  1      2.3085500000           1.0000000        
D   1
  1      1.0501500000           1.0000000        
D   1
  1      0.60192000000          1.0000000        
D   1
  1      0.27677800000          1.0000000        
D   1
  1      0.16755800000          1.0000000        
F   1
  1     14.681000000            1.0000000        
F   1
  1      4.5136500000           1.0000000        
F   1
  1      1.4802700000           1.0000000        
F   1
  1      0.53689500000          1.0000000        
F   1
  1      0.26328900000          1.0000000        
G   1
  1      4.9096900000           1.0000000        
G   1
  1      1.1202600000           1.0000000        
G   1
  1      0.51027800000          1.0000000        
H   1
  1      1.2073300000           1.0000000        


name: cc-pVTZ-PP-RI
elt: Te
data:
TELLURIUM
S   1
  1     14.293300000            1.0000000        
S   1
  1      8.8154600000           1.0000000        
S   1
  1      5.2880500000           1.0000000        
S   1
  1      3.2167400000           1.0000000        
S   1
  1      1.5640400000           1.0000000        
S   1
  1      0.59009200000          1.0000000        
S   1
  1      0.27735400000          1.0000000        
S   1
  1      0.15808900000          1.0000000        
P   1
  1     14.054700000            1.0000000        
P   1
  1      8.6633600000           1.0000000        
P   1
  1      4.2856200000           1.0000000        
P   1
  1      2.1314500000           1.0000000        
P   1
  1      1.0888100000           1.0000000        
P   1
  1      0.49692300000          1.0000000        
P   1
  1      0.32090800000          1.0000000        
P   1
  1      0.17907100000          1.0000000        
D   1
  1      9.2824000000           1.0000000        
D   1
  1      4.9390200000           1.0000000        
D   1
  1      2.4715800000           1.0000000        
D   1
  1      1.1678500000           1.0000000        
D   1
  1      0.68559800000          1.0000000        
D   1
  1      0.32629700000          1.0000000        
D   1
  1      0.18832200000          1.0000000        
F   1
  1     16.136100000            1.0000000        
F   1
  1      4.8860900000           1.0000000        
F   1
  1      1.6836100000           1.0000000        
F   1
  1      0.62092100000          1.0000000        
F   1
  1      0.30639700000          1.0000000        
G   1
  1      5.4279900000           1.0000000        
G   1
  1      1.2937800000           1.0000000        
G   1
  1      0.55163400000          1.0000000        
H   1
  1      1.3414600000           1.0000000        


name: cc-pVTZ-PP-RI
elt: I
data:
IODINE
S   1
  1     17.075300000            1.0000000        
S   1
  1     10.381700000            1.0000000        
S   1
  1      6.0671300000           1.0000000        
S   1
  1      3.5488800000           1.0000000        
S   1
  1      1.7656700000           1.0000000        
S   1
  1      0.71018000000          1.0000000        
S   1
  1      0.33373100000          1.0000000        
S   1
  1      0.18090000000          1.0000000        
P   1
  1     15.176200000            1.0000000        
P   1
  1      9.5078000000           1.0000000        
P   1
  1      4.5242600000           1.0000000        
P   1
  1      2.2768200000           1.0000000        
P   1
  1      1.1992200000           1.0000000        
P   1
  1      0.56675200000          1.0000000        
P   1
  1      0.36657600000          1.0000000        
P   1
  1      0.19929700000          1.0000000        
D   1
  1      9.6540200000           1.0000000        
D   1
  1      5.3823900000           1.0000000        
D   1
  1      2.7114000000           1.0000000        
D   1
  1      1.2912700000           1.0000000        
D   1
  1      0.78219300000          1.0000000        
D   1
  1      0.38646700000          1.0000000        
D   1
  1      0.22489700000          1.0000000        
F   1
  1     17.461700000            1.0000000        
F   1
  1      5.2225100000           1.0000000        
F   1
  1      1.9481100000           1.0000000        
F   1
  1      0.71499900000          1.0000000        
F   1
  1      0.35614200000          1.0000000        
G   1
  1      5.9275200000           1.0000000        
G   1
  1      1.5111600000           1.0000000        
G   1
  1      0.64130500000          1.0000000        
H   1
  1      1.5549600000           1.0000000        


name: cc-pVTZ-PP-RI
elt: Xe
data:
XENON
S   1
  1     19.479800000            1.0000000        
S   1
  1     11.736700000            1.0000000        
S   1
  1      6.7476200000           1.0000000        
S   1
  1      4.0070000000           1.0000000        
S   1
  1      1.9759400000           1.0000000        
S   1
  1      0.81923800000          1.0000000        
S   1
  1      0.39300300000          1.0000000        
S   1
  1      0.20886800000          1.0000000        
P   1
  1     16.846100000            1.0000000        
P   1
  1     10.509800000            1.0000000        
P   1
  1      4.7399900000           1.0000000        
P   1
  1      2.4795500000           1.0000000        
P   1
  1      1.3302000000           1.0000000        
P   1
  1      0.63287000000          1.0000000        
P   1
  1      0.40921700000          1.0000000        
P   1
  1      0.22213100000          1.0000000        
D   1
  1     10.000100000            1.0000000        
D   1
  1      5.6638100000           1.0000000        
D   1
  1      2.8761000000           1.0000000        
D   1
  1      1.4210100000           1.0000000        
D   1
  1      0.86942700000          1.0000000        
D   1
  1      0.44111400000          1.0000000        
D   1
  1      0.25683700000          1.0000000        
F   1
  1     19.083000000            1.0000000        
F   1
  1      5.6391100000           1.0000000        
F   1
  1      2.1947500000           1.0000000        
F   1
  1      0.80946200000          1.0000000        
F   1
  1      0.40433900000          1.0000000        
G   1
  1      6.4531300000           1.0000000        
G   1
  1      1.7396700000           1.0000000        
G   1
  1      0.74729500000          1.0000000        
H   1
  1      1.8067800000           1.0000000        


name: cc-pVTZ-PP-RI
elt: Tl
data:
THALLIUM
S   1
  1      6.6691500000           1.0000000        
S   1
  1      4.5732400000           1.0000000        
S   1
  1      2.9457200000           1.0000000        
S   1
  1      1.4704300000           1.0000000        
S   1
  1      0.57476900000          1.0000000        
S   1
  1      0.33123000000          1.0000000        
S   1
  1      0.17377200000          1.0000000        
S   1
  1      0.93226800000E-01            1.0000000        
P   1
  1      7.7535600000           1.0000000        
P   1
  1      5.6676100000           1.0000000        
P   1
  1      3.7018400000           1.0000000        
P   1
  1      1.6348000000           1.0000000        
P   1
  1      0.62003200000          1.0000000        
P   1
  1      0.35100700000          1.0000000        
P   1
  1      0.21570500000          1.0000000        
P   1
  1      0.11466700000          1.0000000        
D   1
  1      5.0115400000           1.0000000        
D   1
  1      3.3778000000           1.0000000        
D   1
  1      1.6724600000           1.0000000        
D   1
  1      0.82295900000          1.0000000        
D   1
  1      0.39972400000          1.0000000        
D   1
  1      0.18387500000          1.0000000        
D   1
  1      0.98112400000E-01            1.0000000        
F   1
  1      6.5449200000           1.0000000        
F   1
  1      3.1060000000           1.0000000        
F   1
  1      0.92746500000          1.0000000        
F   1
  1      0.43539100000          1.0000000        
F   1
  1      0.15369900000          1.0000000        
G   1
  1      2.6157200000           1.0000000        
G   1
  1      0.77885000000          1.0000000        
G   1
  1      0.40850100000          1.0000000        
H   1
  1      1.5740400000           1.0000000        
H   1
  1      0.67510600000          1.0000000        


name: cc-pVTZ-PP-RI
elt: Pb
data:
LEAD
S   1
  1      7.0728000000           1.0000000        
S   1
  1      4.9851700000           1.0000000        
S   1
  1      3.1376600000           1.0000000        
S   1
  1      1.7330900000           1.0000000        
S   1
  1      0.69733500000          1.0000000        
S   1
  1      0.39362300000          1.0000000        
S   1
  1      0.21862400000          1.0000000        
S   1
  1      0.10494600000          1.0000000        
P   1
  1      8.5447300000           1.0000000        
P   1
  1      6.1180800000           1.0000000        
P   1
  1      3.8987200000           1.0000000        
P   1
  1      1.8296700000           1.0000000        
P   1
  1      0.74211400000          1.0000000        
P   1
  1      0.42520500000          1.0000000        
P   1
  1      0.26360400000          1.0000000        
P   1
  1      0.13759800000          1.0000000        
D   1
  1      5.0931000000           1.0000000        
D   1
  1      3.6080200000           1.0000000        
D   1
  1      1.8789900000           1.0000000        
D   1
  1      0.90397400000          1.0000000        
D   1
  1      0.47018400000          1.0000000        
D   1
  1      0.23555900000          1.0000000        
D   1
  1      0.11968200000          1.0000000        
F   1
  1      7.9356400000           1.0000000        
F   1
  1      3.2083000000           1.0000000        
F   1
  1      1.1101700000           1.0000000        
F   1
  1      0.46285100000          1.0000000        
F   1
  1      0.19517800000          1.0000000        
G   1
  1      2.8870400000           1.0000000        
G   1
  1      0.88879100000          1.0000000        
G   1
  1      0.42702400000          1.0000000        
H   1
  1      1.7686200000           1.0000000        
H   1
  1      0.73578000000          1.0000000        


name: cc-pVTZ-PP-RI
elt: Bi
data:
BISMUTH
S   1
  1      7.3096600000           1.0000000        
S   1
  1      5.1150700000           1.0000000        
S   1
  1      3.2486700000           1.0000000        
S   1
  1      1.9887000000           1.0000000        
S   1
  1      0.81534400000          1.0000000        
S   1
  1      0.49106600000          1.0000000        
S   1
  1      0.26114300000          1.0000000        
S   1
  1      0.12869500000          1.0000000        
P   1
  1      9.2809700000           1.0000000        
P   1
  1      6.4705600000           1.0000000        
P   1
  1      4.0181300000           1.0000000        
P   1
  1      2.0203200000           1.0000000        
P   1
  1      0.87682800000          1.0000000        
P   1
  1      0.49452200000          1.0000000        
P   1
  1      0.31234800000          1.0000000        
P   1
  1      0.16234200000          1.0000000        
D   1
  1      5.2415100000           1.0000000        
D   1
  1      3.7815300000           1.0000000        
D   1
  1      2.1588200000           1.0000000        
D   1
  1      1.0206600000           1.0000000        
D   1
  1      0.55312400000          1.0000000        
D   1
  1      0.29371700000          1.0000000        
D   1
  1      0.15598600000          1.0000000        
F   1
  1      9.4024000000           1.0000000        
F   1
  1      3.3500800000           1.0000000        
F   1
  1      1.2988000000           1.0000000        
F   1
  1      0.52058800000          1.0000000        
F   1
  1      0.24079300000          1.0000000        
G   1
  1      3.1408300000           1.0000000        
G   1
  1      1.0199600000           1.0000000        
G   1
  1      0.47865700000          1.0000000        
H   1
  1      1.9467500000           1.0000000        
H   1
  1      0.82618400000          1.0000000        


name: cc-pVTZ-PP-RI
elt: Po
data:
POLONIUM
S   1
  1      7.2022300000           1.0000000        
S   1
  1      5.2542900000           1.0000000        
S   1
  1      3.4879900000           1.0000000        
S   1
  1      2.3182000000           1.0000000        
S   1
  1      0.95923700000          1.0000000        
S   1
  1      0.55634400000          1.0000000        
S   1
  1      0.31070700000          1.0000000        
S   1
  1      0.13651700000          1.0000000        
P   1
  1      9.9522800000           1.0000000        
P   1
  1      6.6935300000           1.0000000        
P   1
  1      4.0844700000           1.0000000        
P   1
  1      2.2079700000           1.0000000        
P   1
  1      0.92849200000          1.0000000        
P   1
  1      0.51069000000          1.0000000        
P   1
  1      0.32190000000          1.0000000        
P   1
  1      0.17757500000          1.0000000        
D   1
  1      5.1672200000           1.0000000        
D   1
  1      4.0499400000           1.0000000        
D   1
  1      2.4770400000           1.0000000        
D   1
  1      1.1577000000           1.0000000        
D   1
  1      0.63427500000          1.0000000        
D   1
  1      0.33619500000          1.0000000        
D   1
  1      0.17669900000          1.0000000        
F   1
  1      9.8695900000           1.0000000        
F   1
  1      3.5538600000           1.0000000        
F   1
  1      1.4510900000           1.0000000        
F   1
  1      0.57006000000          1.0000000        
F   1
  1      0.27271300000          1.0000000        
G   1
  1      3.3738000000           1.0000000        
G   1
  1      1.1415900000           1.0000000        
G   1
  1      0.50163800000          1.0000000        
H   1
  1      2.1543400000           1.0000000        
H   1
  1      0.89261500000          1.0000000        


name: cc-pVTZ-PP-RI
elt: At
data:
ASTATINE
S   1
  1      7.3585000000           1.0000000        
S   1
  1      5.3450100000           1.0000000        
S   1
  1      3.7764500000           1.0000000        
S   1
  1      2.7122900000           1.0000000        
S   1
  1      1.1528100000           1.0000000        
S   1
  1      0.65471400000          1.0000000        
S   1
  1      0.36341900000          1.0000000        
S   1
  1      0.15667400000          1.0000000        
P   1
  1     10.447400000            1.0000000        
P   1
  1      6.8971000000           1.0000000        
P   1
  1      4.1108300000           1.0000000        
P   1
  1      2.4556400000           1.0000000        
P   1
  1      1.0200600000           1.0000000        
P   1
  1      0.53807500000          1.0000000        
P   1
  1      0.34923000000          1.0000000        
P   1
  1      0.19635000000          1.0000000        
D   1
  1      5.2807200000           1.0000000        
D   1
  1      4.2436600000           1.0000000        
D   1
  1      2.8242700000           1.0000000        
D   1
  1      1.2707300000           1.0000000        
D   1
  1      0.71653500000          1.0000000        
D   1
  1      0.39663000000          1.0000000        
D   1
  1      0.20430000000          1.0000000        
F   1
  1     10.055100000            1.0000000        
F   1
  1      3.8029800000           1.0000000        
F   1
  1      1.6190700000           1.0000000        
F   1
  1      0.63843400000          1.0000000        
F   1
  1      0.30927600000          1.0000000        
G   1
  1      3.6050900000           1.0000000        
G   1
  1      1.2944000000           1.0000000        
G   1
  1      0.57350800000          1.0000000        
H   1
  1      2.3414400000           1.0000000        
H   1
  1      1.0062800000           1.0000000        


name: cc-pVTZ-PP-RI
elt: Rn
data:
RADON
S   1
  1      7.7668200000           1.0000000        
S   1
  1      5.7020100000           1.0000000        
S   1
  1      4.2537800000           1.0000000        
S   1
  1      3.1819700000           1.0000000        
S   1
  1      1.3662200000           1.0000000        
S   1
  1      0.76592000000          1.0000000        
S   1
  1      0.42077000000          1.0000000        
S   1
  1      0.18237200000          1.0000000        
P   1
  1     11.075800000            1.0000000        
P   1
  1      7.1618700000           1.0000000        
P   1
  1      4.2704400000           1.0000000        
P   1
  1      2.5994600000           1.0000000        
P   1
  1      1.1775300000           1.0000000        
P   1
  1      0.59579200000          1.0000000        
P   1
  1      0.38146800000          1.0000000        
P   1
  1      0.21696600000          1.0000000        
D   1
  1      5.5359200000           1.0000000        
D   1
  1      4.2684300000           1.0000000        
D   1
  1      3.1367300000           1.0000000        
D   1
  1      1.4588400000           1.0000000        
D   1
  1      0.81859500000          1.0000000        
D   1
  1      0.46930400000          1.0000000        
D   1
  1      0.23780700000          1.0000000        
F   1
  1     10.329600000            1.0000000        
F   1
  1      4.0403600000           1.0000000        
F   1
  1      1.8169700000           1.0000000        
F   1
  1      0.72986800000          1.0000000        
F   1
  1      0.35828000000          1.0000000        
G   1
  1      3.8610900000           1.0000000        
G   1
  1      1.4869900000           1.0000000        
G   1
  1      0.65963300000          1.0000000        
H   1
  1      2.6556800000           1.0000000        
H   1
  1      1.1708700000           1.0000000        


name: cc-pVTZ-PP-new
description: N/A
elt: I
data:
IODINE
S   9
  1      5.546500E+03           1.560000E-04     
  2      8.382140E+02           9.860000E-04     
  3      1.821870E+02           2.792000E-03     
  4      3.121230E+01          -4.325100E-02     
  5      1.953140E+01           2.341340E-01     
  6      8.240990E+00          -7.509430E-01     
  7      2.194550E+00           8.829680E-01     
  8      1.109110E+00           4.620610E-01     
  9      8.106100E-02           1.102000E-03     
S   9
  1      5.546500E+03          -7.300000E-05     
  2      8.382140E+02          -5.080000E-04     
  3      1.821870E+02          -1.158000E-03     
  4      3.121230E+01           1.219300E-02     
  5      1.953140E+01          -8.785400E-02     
  6      8.240990E+00           3.382000E-01     
  7      2.194550E+00          -5.765500E-01     
  8      1.109110E+00          -4.092980E-01     
  9      8.106100E-02           1.432310E-01     
S   1
  1      3.746410E-01           1.0000000        
S   1
  1      1.770800E-01           1.0000000        
S   1
  1      1.001000E-01           1.0000000        
P   9
  1      1.889880E+02           5.850000E-04     
  2      2.128680E+01           3.692300E-02     
  3      1.003960E+01          -2.353240E-01     
  4      3.451800E+00           3.414830E-01     
  5      1.974560E+00           5.347880E-01     
  6      1.024200E+00           2.651410E-01     
  7      4.494370E-01           2.578700E-02     
  8      1.866480E-01           5.220000E-04     
  9      7.348100E-02           6.060000E-04     
P   9
  1      1.889880E+02          -2.560000E-04     
  2      2.128680E+01          -1.168200E-02     
  3      1.003960E+01           8.319200E-02     
  4      3.451800E+00          -1.569700E-01     
  5      1.974560E+00          -2.245180E-01     
  6      1.024200E+00          -1.144510E-01     
  7      4.494370E-01           3.753560E-01     
  8      1.866480E-01           5.751360E-01     
  9      7.348100E-02           2.459170E-01     
P   1
  1      5.981000E-01           1.0000000        
P   1
  1      9.618000E-02           1.0000000        
D   7
  1      1.326620E+02           5.720000E-04     
  2      3.760540E+01           4.402000E-03     
  3      1.038910E+01          -4.092200E-02     
  4      6.490170E+00           9.966100E-02     
  5      3.454510E+00           3.226630E-01     
  6      1.844130E+00           4.003430E-01     
  7      9.624780E-01           2.683060E-01     
D   1
  1      4.728530E-01           1.0000000        
D   1
  1      1.932000E-01           1.0000000        
F   1
  1      4.064000E-01           1.0000000        


name: cc-pVTZ-fit2-1
description: VTZP RI-MP2 triple zeta fitting basis set
elt: H
data:
HYDROGEN
S   1
  1     33.8700000              1.0000000        
S   1
  1      5.0950000              1.0000000        
S   1
  1      1.1590000              1.0000000        
S   1
  1      0.3258000              1.0000000        
S   1
  1      0.1027000              1.0000000        
S   1
  1      0.0256800              1.0000000        
S   1
  1      0.0513500              1.0000000        
P   1
  1      1.4070000              1.0000000        
P   1
  1      0.3880000              1.0000000        
P   1
  1      0.0970000              1.0000000        
P   1
  1      0.1940000              1.0000000        
P   1
  1      0.7035000              1.0000000        
P   1
  1      1.4848000              1.0000000        
D   1
  1      1.0570000              1.0000000        
D   1
  1      0.0970000              1.0000000        
D   1
  1      0.1940000              1.0000000        
D   1
  1      0.7760000              1.0000000        
D   1
  1      2.1140000              1.0000000        
F   1
  1      0.2642500              1.0000000        
F   1
  1      0.5285000              1.0000000        
F   1
  1      2.1140000              1.0000000        
F   1
  1      1.0570000              1.0000000        


name: cc-pVTZ-fit2-1
description: VTZP RI-MP2 triple zeta fitting basis set
elt: He
data:
HELIUM
S   1
  1    234.0000000              1.0000000        
S   1
  1     35.1600000              1.0000000        
S   1
  1      7.9890000              1.0000000        
S   1
  1      2.2120000              1.0000000        
S   1
  1      0.6669000              1.0000000        
S   1
  1      0.2089000              1.0000000        
S   1
  1      0.0522300              1.0000000        
S   1
  1      0.1044500              1.0000000        
P   1
  1      3.0440000              1.0000000        
P   1
  1      0.7580000              1.0000000        
P   1
  1      0.1895000              1.0000000        
P   1
  1      0.3790000              1.0000000        
P   1
  1      1.5220000              1.0000000        
P   1
  1      2.8789000              1.0000000        
D   1
  1      1.9650000              1.0000000        
D   1
  1      0.1895000              1.0000000        
D   1
  1      0.3790000              1.0000000        
D   1
  1      1.5160000              1.0000000        
D   1
  1      3.9300000              1.0000000        
F   1
  1      0.4912500              1.0000000        
F   1
  1      0.9825000              1.0000000        
F   1
  1      3.9300000              1.0000000        
F   1
  1      1.9650000              1.0000000        


name: cc-pVTZ-fit2-1
description: VTZP RI-MP2 triple zeta fitting basis set
elt: Li
data:
LITHIUM
S   1
  1   5988.0000000              1.0000000        
S   1
  1    898.9000000              1.0000000        
S   1
  1    205.9000000              1.0000000        
S   1
  1     59.2400000              1.0000000        
S   1
  1     19.8700000              1.0000000        
S   1
  1      7.4060000              1.0000000        
S   1
  1      2.9300000              1.0000000        
S   1
  1      1.1890000              1.0000000        
S   1
  1      0.4798000              1.0000000        
S   1
  1      0.0750900              1.0000000        
S   1
  1      0.0283200              1.0000000        
S   1
  1      0.0141600              1.0000000        
P   1
  1      3.2660000              1.0000000        
P   1
  1      0.6511000              1.0000000        
P   1
  1      0.1696000              1.0000000        
P   1
  1      0.0557800              1.0000000        
P   1
  1      0.0205000              1.0000000        
P   1
  1      0.0102500              1.0000000        
D   1
  1      0.1874000              1.0000000        
D   1
  1      0.0801000              1.0000000        
D   1
  1      0.0400500              1.0000000        
D   1
  1      0.2253800              1.0000000        
F   1
  1      0.1829000              1.0000000        
F   1
  1      0.1602000              1.0000000        
F   1
  1      0.3658000              1.0000000        
G   1
  1      0.3658000              1.0000000        


name: cc-pVTZ-fit2-1
description: VTZP RI-MP2 triple zeta fitting basis set
elt: Be
data:
BERYLLIUM
S   1
  1   6863.0000000              1.0000000        
S   1
  1   1030.0000000              1.0000000        
S   1
  1    234.7000000              1.0000000        
S   1
  1     66.5600000              1.0000000        
S   1
  1     21.6900000              1.0000000        
S   1
  1      7.7340000              1.0000000        
S   1
  1      2.9160000              1.0000000        
S   1
  1      1.1300000              1.0000000        
S   1
  1      0.2577000              1.0000000        
S   1
  1      0.1101000              1.0000000        
S   1
  1      0.0440900              1.0000000        
S   1
  1      0.0220400              1.0000000        
P   1
  1      7.4360000              1.0000000        
P   1
  1      1.5770000              1.0000000        
P   1
  1      0.4352000              1.0000000        
P   1
  1      0.1438000              1.0000000        
P   1
  1      0.0499400              1.0000000        
P   1
  1      0.0249700              1.0000000        
D   1
  1      0.3480000              1.0000000        
D   1
  1      0.1803000              1.0000000        
D   1
  1      0.0901500              1.0000000        
D   1
  1      0.5790000              1.0000000        
F   1
  1      0.3250000              1.0000000        
F   1
  1      0.3606000              1.0000000        
F   1
  1      0.6500000              1.0000000        
G   1
  1      0.6500000              1.0000000        


name: cc-pVTZ-fit2-1
description: VTZP RI-MP2 triple zeta fitting basis set
elt: B
data:
BORON
S   1
  1   5473.0000000              1.0000000        
S   1
  1    820.9000000              1.0000000        
S   1
  1    186.8000000              1.0000000        
S   1
  1     52.8300000              1.0000000        
S   1
  1     17.0800000              1.0000000        
S   1
  1      5.9990000              1.0000000        
S   1
  1      2.2080000              1.0000000        
S   1
  1      0.5879000              1.0000000        
S   1
  1      0.2415000              1.0000000        
S   1
  1      0.0861000              1.0000000        
S   1
  1      0.0430500              1.0000000        
P   1
  1     12.0500000              1.0000000        
P   1
  1      2.6130000              1.0000000        
P   1
  1      0.7475000              1.0000000        
P   1
  1      0.2385000              1.0000000        
P   1
  1      0.0769800              1.0000000        
P   1
  1      0.0384900              1.0000000        
D   1
  1      0.6610000              1.0000000        
D   1
  1      0.1990000              1.0000000        
D   1
  1      0.0995000              1.0000000        
D   1
  1      0.9860000              1.0000000        
F   1
  1      0.4900000              1.0000000        
F   1
  1      0.3980000              1.0000000        
F   1
  1      0.9800000              1.0000000        
G   1
  1      0.9800000              1.0000000        


name: cc-pVTZ-fit2-1
description: VTZP RI-MP2 triple zeta fitting basis set
elt: C
data:
CARBON
S   1
  1   8236.0000000              1.0000000        
S   1
  1   1235.0000000              1.0000000        
S   1
  1    280.8000000              1.0000000        
S   1
  1     79.2700000              1.0000000        
S   1
  1     25.5900000              1.0000000        
S   1
  1      8.9970000              1.0000000        
S   1
  1      3.3190000              1.0000000        
S   1
  1      0.9059000              1.0000000        
S   1
  1      0.3643000              1.0000000        
S   1
  1      0.1285000              1.0000000        
S   1
  1      0.0642500              1.0000000        
P   1
  1     18.7100000              1.0000000        
P   1
  1      4.1330000              1.0000000        
P   1
  1      1.2000000              1.0000000        
P   1
  1      0.3827000              1.0000000        
P   1
  1      0.1209000              1.0000000        
P   1
  1      0.0604500              1.0000000        
D   1
  1      1.0970000              1.0000000        
D   1
  1      0.3180000              1.0000000        
D   1
  1      0.1590000              1.0000000        
D   1
  1      1.5827000              1.0000000        
F   1
  1      0.7610000              1.0000000        
F   1
  1      0.6360000              1.0000000        
F   1
  1      1.5220000              1.0000000        
G   1
  1      1.5220000              1.0000000        


name: cc-pVTZ-fit2-1
description: VTZP RI-MP2 triple zeta fitting basis set
elt: N
data:
NITROGEN
S   1
  1  11420.0000000              1.0000000        
S   1
  1   1712.0000000              1.0000000        
S   1
  1    389.3000000              1.0000000        
S   1
  1    110.0000000              1.0000000        
S   1
  1     35.5700000              1.0000000        
S   1
  1     12.5400000              1.0000000        
S   1
  1      4.6440000              1.0000000        
S   1
  1      1.2930000              1.0000000        
S   1
  1      0.5118000              1.0000000        
S   1
  1      0.1787000              1.0000000        
S   1
  1      0.0893500              1.0000000        
P   1
  1     26.6300000              1.0000000        
P   1
  1      5.9480000              1.0000000        
P   1
  1      1.7420000              1.0000000        
P   1
  1      0.5550000              1.0000000        
P   1
  1      0.1725000              1.0000000        
P   1
  1      0.0862500              1.0000000        
D   1
  1      1.6540000              1.0000000        
D   1
  1      0.4690000              1.0000000        
D   1
  1      0.2345000              1.0000000        
D   1
  1      2.2970000              1.0000000        
F   1
  1      1.0930000              1.0000000        
F   1
  1      0.9380000              1.0000000        
F   1
  1      2.1860000              1.0000000        
G   1
  1      2.1860000              1.0000000        


name: cc-pVTZ-fit2-1
description: VTZP RI-MP2 triple zeta fitting basis set
elt: O
data:
OXYGEN
S   1
  1  15330.0000000              1.0000000        
S   1
  1   2299.0000000              1.0000000        
S   1
  1    522.4000000              1.0000000        
S   1
  1    147.3000000              1.0000000        
S   1
  1     47.5500000              1.0000000        
S   1
  1     16.7600000              1.0000000        
S   1
  1      6.2070000              1.0000000        
S   1
  1      1.7520000              1.0000000        
S   1
  1      0.6882000              1.0000000        
S   1
  1      0.2384000              1.0000000        
S   1
  1      0.1192000              1.0000000        
P   1
  1     34.4600000              1.0000000        
P   1
  1      7.7490000              1.0000000        
P   1
  1      2.2800000              1.0000000        
P   1
  1      0.7156000              1.0000000        
P   1
  1      0.2140000              1.0000000        
P   1
  1      0.1070000              1.0000000        
D   1
  1      2.3140000              1.0000000        
D   1
  1      0.6450000              1.0000000        
D   1
  1      0.3225000              1.0000000        
D   1
  1      2.9956000              1.0000000        
F   1
  1      1.4280000              1.0000000        
F   1
  1      1.2900000              1.0000000        
F   1
  1      2.8560000              1.0000000        
G   1
  1      2.8560000              1.0000000        


name: cc-pVTZ-fit2-1
description: VTZP RI-MP2 triple zeta fitting basis set
elt: F
data:
FLUORINE
S   1
  1  19500.0000000              1.0000000        
S   1
  1   2923.0000000              1.0000000        
S   1
  1    664.5000000              1.0000000        
S   1
  1    187.5000000              1.0000000        
S   1
  1     60.6200000              1.0000000        
S   1
  1     21.4200000              1.0000000        
S   1
  1      7.9500000              1.0000000        
S   1
  1      2.2570000              1.0000000        
S   1
  1      0.8815000              1.0000000        
S   1
  1      0.3041000              1.0000000        
S   1
  1      0.1520500              1.0000000        
P   1
  1     43.8800000              1.0000000        
P   1
  1      9.9260000              1.0000000        
P   1
  1      2.9300000              1.0000000        
P   1
  1      0.9132000              1.0000000        
P   1
  1      0.2672000              1.0000000        
P   1
  1      0.1336000              1.0000000        
D   1
  1      3.1070000              1.0000000        
D   1
  1      0.8550000              1.0000000        
D   1
  1      0.4275000              1.0000000        
D   1
  1      3.8432000              1.0000000        
F   1
  1      1.9170000              1.0000000        
F   1
  1      1.7100000              1.0000000        
F   1
  1      3.8340000              1.0000000        
G   1
  1      3.8340000              1.0000000        


name: cc-pVTZ-fit2-1
description: VTZP RI-MP2 triple zeta fitting basis set
elt: Ne
data:
NEON
S   1
  1  24350.0000000              1.0000000        
S   1
  1   3650.0000000              1.0000000        
S   1
  1    829.6000000              1.0000000        
S   1
  1    234.0000000              1.0000000        
S   1
  1     75.6100000              1.0000000        
S   1
  1     26.7300000              1.0000000        
S   1
  1      9.9270000              1.0000000        
S   1
  1      2.8360000              1.0000000        
S   1
  1      1.1020000              1.0000000        
S   1
  1      0.3782000              1.0000000        
S   1
  1      0.1891000              1.0000000        
P   1
  1     54.7000000              1.0000000        
P   1
  1     12.4300000              1.0000000        
P   1
  1      3.6790000              1.0000000        
P   1
  1      1.1430000              1.0000000        
P   1
  1      0.3300000              1.0000000        
P   1
  1      0.1650000              1.0000000        
D   1
  1      4.0140000              1.0000000        
D   1
  1      1.0960000              1.0000000        
D   1
  1      0.5480000              1.0000000        
D   1
  1      4.8220000              1.0000000        
F   1
  1      2.5440000              1.0000000        
F   1
  1      2.1920000              1.0000000        
F   1
  1      5.0880000              1.0000000        
G   1
  1      5.0880000              1.0000000        


name: cc-pVTZ-RI
description: N/A
elt: H
data:
HYDROGEN
S   1
  1      8.5128275910           1.0000000        
S   1
  1      1.8730891166           1.0000000        
S   1
  1      0.52618426941          1.0000000        
S   1
  1      0.28973989936          1.0000000        
P   1
  1      2.3725491635           1.0000000        
P   1
  1      1.1804084468           1.0000000        
P   1
  1      0.60382204241          1.0000000        
D   1
  1      1.8096373189           1.0000000        
D   1
  1      1.1439726055           1.0000000        
F   1
  1      1.8063060576           1.0000000        


name: cc-pVTZ-RI
description: N/A
elt: He
data:
HELIUM
S   1
  1     23.476785180            1.0000000        
S   1
  1      5.0583697048           1.0000000        
S   1
  1      1.1854258656           1.0000000        
S   1
  1      0.64142538607          1.0000000        
S   1
  1      0.23980749063          1.0000000        
P   1
  1      7.3694323551           1.0000000        
P   1
  1      3.5138284206           1.0000000        
P   1
  1      1.3223975385           1.0000000        
P   1
  1      0.50249792118          1.0000000        
D   1
  1      4.8572892242           1.0000000        
D   1
  1      2.4757914715           1.0000000        


name: cc-pVTZ-RI
description: N/A
elt: Li
data:
LITHIUM
S   1
  1     98.020900000            1.0000000        
S   1
  1     20.490600000            1.0000000        
S   1
  1      6.2300500000           1.0000000        
S   1
  1      1.9799500000           1.0000000        
S   1
  1      0.81248000000          1.0000000        
S   1
  1      0.30282100000          1.0000000        
S   1
  1      0.13281700000          1.0000000        
S   1
  1      0.68715100000E-01            1.0000000        
P   1
  1      9.9815300000           1.0000000        
P   1
  1      2.7421200000           1.0000000        
P   1
  1      0.99513200000          1.0000000        
P   1
  1      0.45544900000          1.0000000        
P   1
  1      0.19061500000          1.0000000        
P   1
  1      0.85920300000E-01            1.0000000        
D   1
  1      3.9089500000           1.0000000        
D   1
  1      0.95036400000          1.0000000        
D   1
  1      0.27370300000          1.0000000        
D   1
  1      0.14883900000          1.0000000        
D   1
  1      0.74647700000E-01            1.0000000        
F   1
  1      0.97949400000          1.0000000        
F   1
  1      0.36217100000          1.0000000        
F   1
  1      0.18252600000          1.0000000        
G   1
  1      0.30000000000          1.0000000        


name: cc-pVTZ-RI
description: N/A
elt: Be
data:
BERYLLIUM
S   1
  1    115.41000000             1.0000000        
S   1
  1     27.420100000            1.0000000        
S   1
  1      8.9578900000           1.0000000        
S   1
  1      3.3003600000           1.0000000        
S   1
  1      1.0793900000           1.0000000        
S   1
  1      0.45064500000          1.0000000        
S   1
  1      0.18629300000          1.0000000        
S   1
  1      0.10204900000          1.0000000        
P   1
  1     12.958500000            1.0000000        
P   1
  1      3.5632400000           1.0000000        
P   1
  1      1.1526300000           1.0000000        
P   1
  1      0.55008600000          1.0000000        
P   1
  1      0.24450000000          1.0000000        
P   1
  1      0.10756200000          1.0000000        
D   1
  1      5.0229100000           1.0000000        
D   1
  1      1.6980000000           1.0000000        
D   1
  1      0.48891200000          1.0000000        
D   1
  1      0.26535700000          1.0000000        
D   1
  1      0.10069800000          1.0000000        
F   1
  1      1.6705300000           1.0000000        
F   1
  1      0.45269600000          1.0000000        
F   1
  1      0.25467200000          1.0000000        
G   1
  1      0.50000000000          1.0000000        


name: cc-pVTZ-RI
description: N/A
elt: B
data:
BORON
S   1
  1    143.76607292             1.0000000        
S   1
  1     32.415359994            1.0000000        
S   1
  1     12.299693925            1.0000000        
S   1
  1      4.5664091917           1.0000000        
S   1
  1      1.5009758455           1.0000000        
S   1
  1      0.85036690968          1.0000000        
S   1
  1      0.39838966580          1.0000000        
S   1
  1      0.18313223242          1.0000000        
P   1
  1     16.165630974            1.0000000        
P   1
  1      4.1499893586           1.0000000        
P   1
  1      1.4668888752           1.0000000        
P   1
  1      0.71214911891          1.0000000        
P   1
  1      0.38637224529          1.0000000        
P   1
  1      0.17931660631          1.0000000        
D   1
  1      6.4244453914           1.0000000        
D   1
  1      2.2942924113           1.0000000        
D   1
  1      0.88521563375          1.0000000        
D   1
  1      0.36548295853          1.0000000        
D   1
  1      0.15335705945          1.0000000        
F   1
  1      2.0103449707           1.0000000        
F   1
  1      0.71265855138          1.0000000        
F   1
  1      0.34845880801          1.0000000        
G   1
  1      0.75932144271          1.0000000        


name: cc-pVTZ-RI
description: N/A
elt: C
data:
CARBON
S   1
  1    280.55661188             1.0000000        
S   1
  1     60.230247191            1.0000000        
S   1
  1     22.116650824            1.0000000        
S   1
  1      6.8620932896           1.0000000        
S   1
  1      1.5622549539           1.0000000        
S   1
  1      0.91245045495          1.0000000        
S   1
  1      0.50274917044          1.0000000        
S   1
  1      0.21582348749          1.0000000        
P   1
  1     24.231865176            1.0000000        
P   1
  1      6.4764514185           1.0000000        
P   1
  1      2.1290884677           1.0000000        
P   1
  1      1.0375639746           1.0000000        
P   1
  1      0.54941275046          1.0000000        
P   1
  1      0.28152652231          1.0000000        
D   1
  1      9.7189810815           1.0000000        
D   1
  1      3.0351475003           1.0000000        
D   1
  1      1.4677737562           1.0000000        
D   1
  1      0.57370827909          1.0000000        
D   1
  1      0.29055589668          1.0000000        
F   1
  1      2.2756201303           1.0000000        
F   1
  1      1.1968898852           1.0000000        
F   1
  1      0.54157487216          1.0000000        
G   1
  1      1.2166101638           1.0000000        


name: cc-pVTZ-RI
description: N/A
elt: N
data:
NITROGEN
S   1
  1    287.50926947             1.0000000        
S   1
  1     64.276030898            1.0000000        
S   1
  1     21.681924016            1.0000000        
S   1
  1      7.9068743193           1.0000000        
S   1
  1      2.4319673913           1.0000000        
S   1
  1      1.2226681474           1.0000000        
S   1
  1      0.76674827356          1.0000000        
S   1
  1      0.31158846994          1.0000000        
P   1
  1     34.965027371            1.0000000        
P   1
  1     10.323896648            1.0000000        
P   1
  1      2.8981582643           1.0000000        
P   1
  1      1.4077404555           1.0000000        
P   1
  1      0.85083386536          1.0000000        
P   1
  1      0.37353274145          1.0000000        
D   1
  1     13.908637089            1.0000000        
D   1
  1      4.5847232531           1.0000000        
D   1
  1      2.2101848651           1.0000000        
D   1
  1      0.83768301209          1.0000000        
D   1
  1      0.41948375608          1.0000000        
F   1
  1      3.4730665788           1.0000000        
F   1
  1      1.5589463548           1.0000000        
F   1
  1      0.84677638239          1.0000000        
G   1
  1      1.7764066281           1.0000000        


name: cc-pVTZ-RI
description: N/A
elt: O
data:
OXYGEN
S   1
  1    366.54531503             1.0000000        
S   1
  1     76.693314858            1.0000000        
S   1
  1     24.573835091            1.0000000        
S   1
  1      8.4165585072           1.0000000        
S   1
  1      3.0202080356           1.0000000        
S   1
  1      1.3331563617           1.0000000        
S   1
  1      0.81250658727          1.0000000        
S   1
  1      0.36505253662          1.0000000        
P   1
  1     52.854386423            1.0000000        
P   1
  1     15.021795824            1.0000000        
P   1
  1      3.9137719482           1.0000000        
P   1
  1      2.1678840611           1.0000000        
P   1
  1      0.97419243984          1.0000000        
P   1
  1      0.51845615412          1.0000000        
D   1
  1     15.907733132            1.0000000        
D   1
  1      5.3799329215           1.0000000        
D   1
  1      2.9552623921           1.0000000        
D   1
  1      1.1624458997           1.0000000        
D   1
  1      0.50353399421          1.0000000        
F   1
  1      4.6873846701           1.0000000        
F   1
  1      2.1512789489           1.0000000        
F   1
  1      1.0894068169           1.0000000        
G   1
  1      2.3270964878           1.0000000        


name: cc-pVTZ-RI
description: N/A
elt: F
data:
FLUORINE
S   1
  1    422.92616443             1.0000000        
S   1
  1     94.574980931            1.0000000        
S   1
  1     32.901242997            1.0000000        
S   1
  1     11.543896457            1.0000000        
S   1
  1      3.6654452758           1.0000000        
S   1
  1      1.7627170174           1.0000000        
S   1
  1      1.0550484335           1.0000000        
S   1
  1      0.45249317803          1.0000000        
P   1
  1     51.725836436            1.0000000        
P   1
  1     13.925625287            1.0000000        
P   1
  1      4.7566814300           1.0000000        
P   1
  1      2.6366872366           1.0000000        
P   1
  1      1.2609788292           1.0000000        
P   1
  1      0.64879622887          1.0000000        
D   1
  1     18.713621922            1.0000000        
D   1
  1      6.4211697314           1.0000000        
D   1
  1      3.8185095683           1.0000000        
D   1
  1      1.5232804865           1.0000000        
D   1
  1      0.62698731826          1.0000000        
F   1
  1      6.1947428723           1.0000000        
F   1
  1      2.9698128482           1.0000000        
F   1
  1      1.4393725980           1.0000000        
G   1
  1      3.1156367990           1.0000000        


name: cc-pVTZ-RI
description: N/A
elt: Ne
data:
NEON
S   1
  1    665.38900000             1.0000000        
S   1
  1    136.77800000             1.0000000        
S   1
  1     37.474000000            1.0000000        
S   1
  1     17.240200000            1.0000000        
S   1
  1      4.1340000000           1.0000000        
S   1
  1      2.1046800000           1.0000000        
S   1
  1      1.1009500000           1.0000000        
S   1
  1      0.60806100000          1.0000000        
P   1
  1     78.488500000            1.0000000        
P   1
  1     22.728500000            1.0000000        
P   1
  1      6.4408900000           1.0000000        
P   1
  1      3.8088400000           1.0000000        
P   1
  1      1.6039800000           1.0000000        
P   1
  1      0.82889900000          1.0000000        
D   1
  1     23.126700000            1.0000000        
D   1
  1      7.8574300000           1.0000000        
D   1
  1      4.8395500000           1.0000000        
D   1
  1      1.9233700000           1.0000000        
D   1
  1      0.77657600000          1.0000000        
F   1
  1      8.1789200000           1.0000000        
F   1
  1      3.8868700000           1.0000000        
F   1
  1      1.8460700000           1.0000000        
G   1
  1      4.1108800000           1.0000000        


name: cc-pVTZ-RI
description: N/A
elt: Na
data:
SODIUM
S   1
  1    262.94500000             1.0000000        
S   1
  1     59.327200000            1.0000000        
S   1
  1     24.410600000            1.0000000        
S   1
  1     10.315300000            1.0000000        
S   1
  1      3.8246700000           1.0000000        
S   1
  1      1.2113800000           1.0000000        
S   1
  1      0.62602500000          1.0000000        
S   1
  1      0.23113600000          1.0000000        
S   1
  1      0.99616000000E-01            1.0000000        
S   1
  1      0.60853800000E-01            1.0000000        
P   1
  1     45.960200000            1.0000000        
P   1
  1      5.9267300000           1.0000000        
P   1
  1      2.4480100000           1.0000000        
P   1
  1      1.2517300000           1.0000000        
P   1
  1      0.55505600000          1.0000000        
P   1
  1      0.32365300000          1.0000000        
P   1
  1      0.13173800000          1.0000000        
P   1
  1      0.67946600000E-01            1.0000000        
D   1
  1     23.726200000            1.0000000        
D   1
  1      7.2033700000           1.0000000        
D   1
  1      2.5485300000           1.0000000        
D   1
  1      0.96596600000          1.0000000        
D   1
  1      0.42342600000          1.0000000        
D   1
  1      0.25086200000          1.0000000        
D   1
  1      0.10283800000          1.0000000        
F   1
  1      3.7195500000           1.0000000        
F   1
  1      1.1675400000           1.0000000        
F   1
  1      0.52938800000          1.0000000        
F   1
  1      0.26512500000          1.0000000        
F   1
  1      0.14665900000          1.0000000        
G   1
  1      1.4468800000           1.0000000        
G   1
  1      0.51437200000          1.0000000        


name: cc-pVTZ-RI
description: N/A
elt: Mg
data:
MAGNESIUM
S   1
  1    247.48200000             1.0000000        
S   1
  1     82.306500000            1.0000000        
S   1
  1     31.888200000            1.0000000        
S   1
  1     12.362800000            1.0000000        
S   1
  1      4.9934100000           1.0000000        
S   1
  1      1.7078100000           1.0000000        
S   1
  1      0.79044900000          1.0000000        
S   1
  1      0.27515300000          1.0000000        
S   1
  1      0.12344300000          1.0000000        
S   1
  1      0.77123300000E-01            1.0000000        
P   1
  1     58.640200000            1.0000000        
P   1
  1      7.1768000000           1.0000000        
P   1
  1      3.4987300000           1.0000000        
P   1
  1      1.5182200000           1.0000000        
P   1
  1      0.80684800000          1.0000000        
P   1
  1      0.32655900000          1.0000000        
P   1
  1      0.15472000000          1.0000000        
P   1
  1      0.72477400000E-01            1.0000000        
D   1
  1     29.921200000            1.0000000        
D   1
  1      9.1139400000           1.0000000        
D   1
  1      3.1714900000           1.0000000        
D   1
  1      1.4883800000           1.0000000        
D   1
  1      0.57200100000          1.0000000        
D   1
  1      0.39281600000          1.0000000        
D   1
  1      0.18472000000          1.0000000        
F   1
  1      4.6091200000           1.0000000        
F   1
  1      1.5434700000           1.0000000        
F   1
  1      0.64499000000          1.0000000        
F   1
  1      0.33422500000          1.0000000        
F   1
  1      0.17457500000          1.0000000        
G   1
  1      1.7645500000           1.0000000        
G   1
  1      0.71721900000          1.0000000        


name: cc-pVTZ-RI
description: N/A
elt: Al
data:
ALUMINUM
S   1
  1    300.62640903             1.0000000        
S   1
  1    104.77395275             1.0000000        
S   1
  1     40.512450526            1.0000000        
S   1
  1     16.255168823            1.0000000        
S   1
  1      6.7405793506           1.0000000        
S   1
  1      3.0855726643           1.0000000        
S   1
  1      1.3482041254           1.0000000        
S   1
  1      0.54214250404          1.0000000        
S   1
  1      0.22976467227          1.0000000        
S   1
  1      0.13289704067          1.0000000        
P   1
  1     76.202344325            1.0000000        
P   1
  1      9.7323748222           1.0000000        
P   1
  1      5.4300976257           1.0000000        
P   1
  1      2.0498954502           1.0000000        
P   1
  1      0.87846781913          1.0000000        
P   1
  1      0.34391619636          1.0000000        
P   1
  1      0.16512270329          1.0000000        
P   1
  1      0.69077343430E-01            1.0000000        
D   1
  1     37.330156833            1.0000000        
D   1
  1     11.047152500            1.0000000        
D   1
  1      3.7434395936           1.0000000        
D   1
  1      1.8825681680           1.0000000        
D   1
  1      0.74531261534          1.0000000        
D   1
  1      0.45695402065          1.0000000        
D   1
  1      0.19479896417          1.0000000        
F   1
  1      5.7814992206           1.0000000        
F   1
  1      2.6295880422           1.0000000        
F   1
  1      0.68404350994          1.0000000        
F   1
  1      0.45836706642          1.0000000        
F   1
  1      0.20677096320          1.0000000        
G   1
  1      1.3010473175           1.0000000        
G   1
  1      0.35111239426          1.0000000        


name: cc-pVTZ-RI
description: N/A
elt: Ar
data:
ARGON
S   1
  1    398.33571248             1.0000000        
S   1
  1    131.06114017             1.0000000        
S   1
  1     45.980817822            1.0000000        
S   1
  1     16.701793814            1.0000000        
S   1
  1      8.8722724294           1.0000000        
S   1
  1      3.9973950262           1.0000000        
S   1
  1      1.7176196750           1.0000000        
S   1
  1      1.0917904417           1.0000000        
S   1
  1      0.57444248770          1.0000000        
S   1
  1      0.27265810334          1.0000000        
S   1
  1      0.15553197989          1.0000000        
P   1
  1    144.54686703             1.0000000        
P   1
  1     17.682373251            1.0000000        
P   1
  1      6.8664346924           1.0000000        
P   1
  1      4.2316573351           1.0000000        
P   1
  1      1.5245926653           1.0000000        
P   1
  1      0.89599596067          1.0000000        
P   1
  1      0.57455305306          1.0000000        
P   1
  1      0.30016304002          1.0000000        
D   1
  1     50.752294684            1.0000000        
D   1
  1     12.568963251            1.0000000        
D   1
  1      8.0789604235           1.0000000        
D   1
  1      2.8869555039           1.0000000        
D   1
  1      1.6670920137           1.0000000        
D   1
  1      0.83661811051          1.0000000        
D   1
  1      0.36268731135          1.0000000        
F   1
  1     15.586304207            1.0000000        
F   1
  1      6.0271769796           1.0000000        
F   1
  1      2.3410113748           1.0000000        
F   1
  1      1.4865380838           1.0000000        
F   1
  1      0.70370885563          1.0000000        
G   1
  1      4.6932752519           1.0000000        
G   1
  1      1.3740549263           1.0000000        


name: cc-pVTZ-RI
description: N/A
elt: Ga
data:
GALLIUM
S   1
  1     54.946356678            1.0000000        
S   1
  1     28.593635363            1.0000000        
S   1
  1     11.065342303            1.0000000        
S   1
  1      4.9142301021           1.0000000        
S   1
  1      3.4510268965           1.0000000        
S   1
  1      1.5375138307           1.0000000        
S   1
  1      0.59772448873          1.0000000        
S   1
  1      0.40842882453          1.0000000        
S   1
  1      0.19785062208          1.0000000        
S   1
  1      0.11618487290          1.0000000        
P   1
  1     40.851351094            1.0000000        
P   1
  1     27.052383163            1.0000000        
P   1
  1      6.2848200971           1.0000000        
P   1
  1      3.4353228067           1.0000000        
P   1
  1      2.0200465430           1.0000000        
P   1
  1      1.0763640786           1.0000000        
P   1
  1      0.33002833116          1.0000000        
P   1
  1      0.19475173952          1.0000000        
P   1
  1      0.12229760628          1.0000000        
D   1
  1    113.51215150             1.0000000        
D   1
  1     27.971178931            1.0000000        
D   1
  1      7.1394464142           1.0000000        
D   1
  1      2.3190727723           1.0000000        
D   1
  1      1.5460485148           1.0000000        
D   1
  1      0.49734525350          1.0000000        
D   1
  1      0.30881116184          1.0000000        
D   1
  1      0.19276442691          1.0000000        
F   1
  1     78.655414278            1.0000000        
F   1
  1      8.8090039110           1.0000000        
F   1
  1      2.5351046611           1.0000000        
F   1
  1      1.6900697740           1.0000000        
F   1
  1      0.45396631474          1.0000000        
F   1
  1      0.22127266161          1.0000000        
G   1
  1     20.822392582            1.0000000        
G   1
  1      6.9246541517           1.0000000        
G   1
  1      1.1609460784           1.0000000        
G   1
  1      0.41692854516          1.0000000        
H   1
  1      1.0806745062           1.0000000        


name: cc-pVTZ-RI
description: N/A
elt: Ge
data:
GERMANIUM
S   1
  1     69.170110777            1.0000000        
S   1
  1     29.498784190            1.0000000        
S   1
  1     14.113948025            1.0000000        
S   1
  1      6.0618238693           1.0000000        
S   1
  1      4.1321435585           1.0000000        
S   1
  1      1.7916734846           1.0000000        
S   1
  1      0.64153819625          1.0000000        
S   1
  1      0.43379387955          1.0000000        
S   1
  1      0.22361164784          1.0000000        
S   1
  1      0.12751645320          1.0000000        
P   1
  1     43.569249569            1.0000000        
P   1
  1     29.359083081            1.0000000        
P   1
  1      6.4117541194           1.0000000        
P   1
  1      3.9141772593           1.0000000        
P   1
  1      1.6427898369           1.0000000        
P   1
  1      0.89374484449          1.0000000        
P   1
  1      0.38183600062          1.0000000        
P   1
  1      0.24048765945          1.0000000        
P   1
  1      0.14405626866          1.0000000        
D   1
  1    124.97009832             1.0000000        
D   1
  1     33.310933718            1.0000000        
D   1
  1      8.4174466040           1.0000000        
D   1
  1      2.6351845314           1.0000000        
D   1
  1      1.4582994387           1.0000000        
D   1
  1      0.60143527591          1.0000000        
D   1
  1      0.33388267020          1.0000000        
D   1
  1      0.15503733367          1.0000000        
F   1
  1     86.174490227            1.0000000        
F   1
  1     10.226422186            1.0000000        
F   1
  1      2.8985836800           1.0000000        
F   1
  1      1.7511981741           1.0000000        
F   1
  1      0.57245580023          1.0000000        
F   1
  1      0.27682754302          1.0000000        
G   1
  1     24.517974702            1.0000000        
G   1
  1      8.2884523050           1.0000000        
G   1
  1      1.4644321168           1.0000000        
G   1
  1      0.52447006043          1.0000000        
H   1
  1      1.3543076250           1.0000000        


name: cc-pVTZ-RI
description: N/A
elt: As
data:
ARSENIC
S   1
  1     78.079329988            1.0000000        
S   1
  1     34.061560726            1.0000000        
S   1
  1     14.656203812            1.0000000        
S   1
  1      5.9462564620           1.0000000        
S   1
  1      3.9641709747           1.0000000        
S   1
  1      1.7326185890           1.0000000        
S   1
  1      0.60732196633          1.0000000        
S   1
  1      0.41296859584          1.0000000        
S   1
  1      0.29077124931          1.0000000        
S   1
  1      0.12697127878          1.0000000        
P   1
  1     48.124669457            1.0000000        
P   1
  1     31.032684135            1.0000000        
P   1
  1      6.9148533311           1.0000000        
P   1
  1      3.6969686004           1.0000000        
P   1
  1      1.6377519410           1.0000000        
P   1
  1      0.87485353075          1.0000000        
P   1
  1      0.39109263030          1.0000000        
P   1
  1      0.26092801111          1.0000000        
P   1
  1      0.13975563354          1.0000000        
D   1
  1    123.03299372             1.0000000        
D   1
  1     38.352085945            1.0000000        
D   1
  1      9.1033599848           1.0000000        
D   1
  1      2.9844045420           1.0000000        
D   1
  1      1.6746624908           1.0000000        
D   1
  1      0.73448654575          1.0000000        
D   1
  1      0.38977305660          1.0000000        
D   1
  1      0.18666005635          1.0000000        
F   1
  1     94.920380915            1.0000000        
F   1
  1     11.046297008            1.0000000        
F   1
  1      2.8815507493           1.0000000        
F   1
  1      1.8707267168           1.0000000        
F   1
  1      0.67767276739          1.0000000        
F   1
  1      0.34377264986          1.0000000        
G   1
  1     28.200520638            1.0000000        
G   1
  1      9.6196427929           1.0000000        
G   1
  1      1.7939996750           1.0000000        
G   1
  1      0.64277352015          1.0000000        
H   1
  1      1.6828424306           1.0000000        


name: cc-pVTZ-RI
description: N/A
elt: Se
data:
SELENIUM
S   1
  1     82.506800150            1.0000000        
S   1
  1     36.738108911            1.0000000        
S   1
  1     15.868872439            1.0000000        
S   1
  1      6.0260788091           1.0000000        
S   1
  1      4.0388615314           1.0000000        
S   1
  1      2.0972319437           1.0000000        
S   1
  1      0.78260762210          1.0000000        
S   1
  1      0.52092639814          1.0000000        
S   1
  1      0.33286874708          1.0000000        
S   1
  1      0.15359996852          1.0000000        
P   1
  1     52.732965275            1.0000000        
P   1
  1     33.085236747            1.0000000        
P   1
  1      7.4845779732           1.0000000        
P   1
  1      4.1448010774           1.0000000        
P   1
  1      1.7946392799           1.0000000        
P   1
  1      1.0646637034           1.0000000        
P   1
  1      0.54953239001          1.0000000        
P   1
  1      0.29710499041          1.0000000        
P   1
  1      0.19806999360          1.0000000        
D   1
  1    130.14060602             1.0000000        
D   1
  1     40.895067483            1.0000000        
D   1
  1      9.9689711558           1.0000000        
D   1
  1      3.3009871666           1.0000000        
D   1
  1      1.9140952104           1.0000000        
D   1
  1      0.85530949013          1.0000000        
D   1
  1      0.46158424421          1.0000000        
D   1
  1      0.20012359184          1.0000000        
F   1
  1     99.315423600            1.0000000        
F   1
  1     11.958103341            1.0000000        
F   1
  1      2.9299344775           1.0000000        
F   1
  1      1.7579612803           1.0000000        
F   1
  1      0.81417416603          1.0000000        
F   1
  1      0.39515109516          1.0000000        
G   1
  1     31.702524222            1.0000000        
G   1
  1     10.939142222            1.0000000        
G   1
  1      2.1197137599           1.0000000        
G   1
  1      0.72006614734          1.0000000        
H   1
  1      1.9267912649           1.0000000        


name: cc-pVTZ-RI
description: N/A
elt: Br
data:
BROMINE
S   1
  1     88.460152449            1.0000000        
S   1
  1     40.086601172            1.0000000        
S   1
  1     16.556201440            1.0000000        
S   1
  1      6.7634903641           1.0000000        
S   1
  1      4.2786701602           1.0000000        
S   1
  1      1.6802055793           1.0000000        
S   1
  1      0.88211827378          1.0000000        
S   1
  1      0.49925377942          1.0000000        
S   1
  1      0.29251721237          1.0000000        
S   1
  1      0.15714688728          1.0000000        
P   1
  1     55.806131262            1.0000000        
P   1
  1     35.437022250            1.0000000        
P   1
  1      8.2568888687           1.0000000        
P   1
  1      3.7113008778           1.0000000        
P   1
  1      1.3894273133           1.0000000        
P   1
  1      0.94947629238          1.0000000        
P   1
  1      0.53965836504          1.0000000        
P   1
  1      0.28558290858          1.0000000        
P   1
  1      0.15480835338          1.0000000        
D   1
  1    141.00006735             1.0000000        
D   1
  1     44.092417032            1.0000000        
D   1
  1     10.858957210            1.0000000        
D   1
  1      3.5140967325           1.0000000        
D   1
  1      2.0222091088           1.0000000        
D   1
  1      0.99425037270          1.0000000        
D   1
  1      0.53298534444          1.0000000        
D   1
  1      0.22970761673          1.0000000        
F   1
  1    104.05502174             1.0000000        
F   1
  1     13.115209595            1.0000000        
F   1
  1      3.2518427019           1.0000000        
F   1
  1      1.8591285300           1.0000000        
F   1
  1      0.95296617197          1.0000000        
F   1
  1      0.46349452136          1.0000000        
G   1
  1     33.241749958            1.0000000        
G   1
  1     11.851337488            1.0000000        
G   1
  1      2.5075642180           1.0000000        
G   1
  1      0.85734023621          1.0000000        
H   1
  1      2.3045368077           1.0000000        


name: cc-pVTZ-RI
description: N/A
elt: Kr
data:
KRYPTON
S   1
  1     87.890063287            1.0000000        
S   1
  1     41.428511356            1.0000000        
S   1
  1     16.897446445            1.0000000        
S   1
  1      8.1213971040           1.0000000        
S   1
  1      5.4142647360           1.0000000        
S   1
  1      1.5679655386           1.0000000        
S   1
  1      1.0453103591           1.0000000        
S   1
  1      0.55089225965          1.0000000        
S   1
  1      0.30297177420          1.0000000        
S   1
  1      0.18393203273          1.0000000        
P   1
  1     58.207300668            1.0000000        
P   1
  1     38.804867112            1.0000000        
P   1
  1      9.1776815824           1.0000000        
P   1
  1      3.8258630054           1.0000000        
P   1
  1      1.7085432180           1.0000000        
P   1
  1      1.1390288120           1.0000000        
P   1
  1      0.56543619861          1.0000000        
P   1
  1      0.31974777884          1.0000000        
P   1
  1      0.16839324985          1.0000000        
D   1
  1    164.77743087             1.0000000        
D   1
  1     44.218512075            1.0000000        
D   1
  1     12.337355419            1.0000000        
D   1
  1      3.8308707020           1.0000000        
D   1
  1      2.5539138014           1.0000000        
D   1
  1      1.0589191426           1.0000000        
D   1
  1      0.65393776977          1.0000000        
D   1
  1      0.25953258268          1.0000000        
F   1
  1    111.44287367             1.0000000        
F   1
  1     14.499520131            1.0000000        
F   1
  1      3.8112579361           1.0000000        
F   1
  1      2.5699997242           1.0000000        
F   1
  1      1.1212424312           1.0000000        
F   1
  1      0.54121082502          1.0000000        
G   1
  1     36.888661908            1.0000000        
G   1
  1     13.285473426            1.0000000        
G   1
  1      2.9097660489           1.0000000        
G   1
  1      1.0236297351           1.0000000        
H   1
  1      2.7676462796           1.0000000        


name: cc-pwCV5Z Core Set
description: V5Z4P Valence Quintuple Zeta + Polarization on All Atoms
elt: B
data:
BORON
S   10
  1  68260.0000000              0.0000240        
  2  10230.0000000              0.0001850        
  3   2328.0000000              0.0009700        
  4    660.4000000              0.0040560        
  5    216.2000000              0.0143990        
  6     78.6000000              0.0439010        
  7     30.9800000              0.1130570        
  8     12.9600000              0.2338250        
  9      5.6590000              0.3539600        
 10      2.5560000              0.3015470        
S   10
  1  68260.0000000             -0.0000050        
  2  10230.0000000             -0.0000370        
  3   2328.0000000             -0.0001960        
  4    660.4000000             -0.0008240        
  5    216.2000000             -0.0029230        
  6     78.6000000             -0.0091380        
  7     30.9800000             -0.0241050        
  8     12.9600000             -0.0547550        
  9      5.6590000             -0.0969430        
 10      2.5560000             -0.1374850        
S   1
  1      1.1750000              1.0000000        
S   1
  1      0.4249000              1.0000000        
S   1
  1      0.1712000              1.0000000        
S   1
  1      0.0691300              1.0000000        
P   4
  1     66.4400000              0.0008380        
  2     15.7100000              0.0064090        
  3      4.9360000              0.0280810        
  4      1.7700000              0.0921520        
P   1
  1      0.7008000              1.0000000        
P   1
  1      0.2901000              1.0000000        
P   1
  1      0.1211000              1.0000000        
P   1
  1      0.0497300              1.0000000        
D   1
  1      2.0100000              1.0000000        
D   1
  1      0.7960000              1.0000000        
D   1
  1      0.3160000              1.0000000        
D   1
  1      0.1250000              1.0000000        
F   1
  1      1.2150000              1.0000000        
F   1
  1      0.5250000              1.0000000        
F   1
  1      0.2270000              1.0000000        
G   1
  1      1.1240000              1.0000000        
G   1
  1      0.4610000              1.0000000        
H   1
  1      0.8340000              1.0000000        


name: cc-pwCV5Z Core Set
description: V5Z4P Valence Quintuple Zeta + Polarization on All Atoms
elt: Al
data:
ALUMINUM
S   11
  1 3269000.0000000             0.213962D-05     
  2 489400.0000000              0.166264D-04     
  3 111400.0000000              0.875168D-04     
  4  31560.0000000              0.368990D-03     
  5  10320.0000000              0.133903D-02     
  6   3731.0000000              0.435636D-02     
  7   1456.0000000              0.128955D-01     
  8    604.1000000              0.348201D-01     
  9    263.5000000              0.843530D-01     
 10    119.8000000              0.175907D+00     
 11     56.3200000              0.292091D+00     
S   11
  1 3269000.0000000            -0.556026D-06     
  2 489400.0000000             -0.432303D-05     
  3 111400.0000000             -0.227413D-04     
  4  31560.0000000             -0.960116D-04     
  5  10320.0000000             -0.348376D-03     
  6   3731.0000000             -0.113836D-02     
  7   1456.0000000             -0.338744D-02     
  8    604.1000000             -0.931505D-02     
  9    263.5000000             -0.233023D-01     
 10    119.8000000             -0.523486D-01     
 11     56.3200000             -0.999499D-01     
S   1
  1     27.1900000              1.0000000        
S   1
  1     13.2600000              1.0000000        
S   1
  1      6.0520000              1.0000000        
S   1
  1      2.9810000              1.0000000        
S   1
  1      1.4760000              1.0000000        
S   1
  1      0.7334000              1.0000000        
S   1
  1      0.2447000              1.0000000        
S   1
  1      0.1088000              1.0000000        
S   1
  1      0.0467200              1.0000000        
P   3
  1   1461.0000000              0.208613D-03     
  2    346.2000000              0.181005D-02     
  3    112.2000000              0.973433D-02     
P   1
  1     42.5100000              1.0000000        
P   1
  1     17.7200000              1.0000000        
P   1
  1      7.8520000              1.0000000        
P   1
  1      3.5710000              1.0000000        
P   1
  1      1.6370000              1.0000000        
P   1
  1      0.7382000              1.0000000        
P   1
  1      0.2577000              1.0000000        
P   1
  1      0.0977300              1.0000000        
P   1
  1      0.0369000              1.0000000        
D   1
  1      1.3170000              1.0000000        
D   1
  1      0.5260000              1.0000000        
D   1
  1      0.2100000              1.0000000        
D   1
  1      0.0840000              1.0000000        
F   1
  1      0.1300000              1.0000000        
F   1
  1      0.2580000              1.0000000        
F   1
  1      0.5130000              1.0000000        
G   1
  1      0.2520000              1.0000000        
G   1
  1      0.5430000              1.0000000        
H   1
  1      0.4460000              1.0000000        


name: cc-pwCV5Z Core Set
description: V5Z4P Valence Quintuple Zeta + Polarization on All Atoms
elt: Si
data:
SILICON
S   11
  1 3948000.0000000             0.203712D-05     
  2 591100.0000000              0.158394D-04     
  3 134500.0000000              0.833590D-04     
  4  38120.0000000              0.351361D-03     
  5  12460.0000000              0.127660D-02     
  6   4504.0000000              0.415191D-02     
  7   1758.0000000              0.123030D-01     
  8    729.1000000              0.333102D-01     
  9    318.0000000              0.809845D-01     
 10    144.6000000              0.170290D+00     
 11     67.9700000              0.286879D+00     
S   11
  1 3948000.0000000            -0.542085D-06     
  2 591100.0000000             -0.421677D-05     
  3 134500.0000000             -0.221813D-04     
  4  38120.0000000             -0.936028D-04     
  5  12460.0000000             -0.340116D-03     
  6   4504.0000000             -0.111061D-02     
  7   1758.0000000             -0.330878D-02     
  8    729.1000000             -0.911602D-02     
  9    318.0000000             -0.228790D-01     
 10    144.6000000             -0.517119D-01     
 11     67.9700000             -0.999091D-01     
S   1
  1     32.8200000              1.0000000        
S   1
  1     16.0300000              1.0000000        
S   1
  1      7.3960000              1.0000000        
S   1
  1      3.6610000              1.0000000        
S   1
  1      1.8230000              1.0000000        
S   1
  1      0.9147000              1.0000000        
S   1
  1      0.3393000              1.0000000        
S   1
  1      0.1500000              1.0000000        
S   1
  1      0.0643800              1.0000000        
P   3
  1   1780.0000000              0.201206D-03     
  2    421.8000000              0.174937D-02     
  3    136.7000000              0.948141D-02     
P   1
  1     51.8100000              1.0000000        
P   1
  1     21.6000000              1.0000000        
P   1
  1      9.5630000              1.0000000        
P   1
  1      4.3500000              1.0000000        
P   1
  1      2.0060000              1.0000000        
P   1
  1      0.9205000              1.0000000        
P   1
  1      0.3500000              1.0000000        
P   1
  1      0.1381000              1.0000000        
P   1
  1      0.0533800              1.0000000        
D   1
  1      0.1260000              1.0000000        
D   1
  1      0.3210000              1.0000000        
D   1
  1      0.8170000              1.0000000        
D   1
  1      2.0820000              1.0000000        
F   1
  1      0.1690000              1.0000000        
F   1
  1      0.3410000              1.0000000        
F   1
  1      0.6880000              1.0000000        
G   1
  1      0.3200000              1.0000000        
G   1
  1      0.7050000              1.0000000        
H   1
  1      0.5830000              1.0000000        


name: cc-pwCV5Z Core Set
description: V5Z4P Valence Quintuple Zeta + Polarization on All Atoms
elt: P
data:
PHOSPHOROUS
S   11
  1 4666000.0000000             0.196759D-05     
  2 698600.0000000              0.152963D-04     
  3 159000.0000000              0.804826D-04     
  4  45040.0000000              0.339737D-03     
  5  14720.0000000              0.123291D-02     
  6   5323.0000000              0.401345D-02     
  7   2076.0000000              0.119124D-01     
  8    861.1000000              0.322511D-01     
  9    375.7000000              0.786643D-01     
 10    170.8000000              0.166458D+00     
 11     80.2900000              0.283039D+00     
S   11
  1 4666000.0000000            -0.534153D-06     
  2 698600.0000000             -0.415422D-05     
  3 159000.0000000             -0.218484D-04     
  4  45040.0000000             -0.923272D-04     
  5  14720.0000000             -0.335109D-03     
  6   5323.0000000             -0.109508D-02     
  7   2076.0000000             -0.326798D-02     
  8    861.1000000             -0.899951D-02     
  9    375.7000000             -0.226528D-01     
 10    170.8000000             -0.514650D-01     
 11     80.2900000             -0.100186D+00     
S   1
  1     38.7700000              1.0000000        
S   1
  1     18.9300000              1.0000000        
S   1
  1      8.7960000              1.0000000        
S   1
  1      4.3580000              1.0000000        
S   1
  1      2.1740000              1.0000000        
S   1
  1      1.0950000              1.0000000        
S   1
  1      0.4400000              1.0000000        
S   1
  1      0.1945000              1.0000000        
S   1
  1      0.0837600              1.0000000        
P   3
  1   2010.0000000              0.215915D-03     
  2    476.3000000              0.187536D-02     
  3    154.4000000              0.101742D-01     
P   1
  1     58.5100000              1.0000000        
P   1
  1     24.4000000              1.0000000        
P   1
  1     10.8000000              1.0000000        
P   1
  1      4.9130000              1.0000000        
P   1
  1      2.2690000              1.0000000        
P   1
  1      1.0430000              1.0000000        
P   1
  1      0.4313000              1.0000000        
P   1
  1      0.1767000              1.0000000        
P   1
  1      0.0700900              1.0000000        
D   1
  1      0.1660000              1.0000000        
D   1
  1      0.4180000              1.0000000        
D   1
  1      1.0540000              1.0000000        
D   1
  1      2.6560000              1.0000000        
F   1
  1      0.2190000              1.0000000        
F   1
  1      0.4500000              1.0000000        
F   1
  1      0.9230000              1.0000000        
G   1
  1      0.4120000              1.0000000        
G   1
  1      0.9030000              1.0000000        
H   1
  1      0.7450000              1.0000000        


name: cc-pwCV5Z Core Set
description: V5Z4P Valence Quintuple Zeta + Polarization on All Atoms
elt: S
data:
SULFUR
S   11
  1 5481000.0000000             0.189338D-05     
  2 820600.0000000              0.147211D-04     
  3 186700.0000000              0.775084D-04     
  4  52880.0000000              0.327224D-03     
  5  17250.0000000              0.119365D-02     
  6   6226.0000000              0.388393D-02     
  7   2429.0000000              0.115336D-01     
  8   1007.0000000              0.312748D-01     
  9    439.5000000              0.764387D-01     
 10    199.8000000              0.162700D+00     
 11     93.9200000              0.279328D+00     
S   11
  1 5481000.0000000            -0.522912D-06     
  2 820600.0000000             -0.406690D-05     
  3 186700.0000000             -0.214065D-04     
  4  52880.0000000             -0.904540D-04     
  5  17250.0000000             -0.330080D-03     
  6   6226.0000000             -0.107782D-02     
  7   2429.0000000             -0.321874D-02     
  8   1007.0000000             -0.887217D-02     
  9    439.5000000             -0.223771D-01     
 10    199.8000000             -0.510577D-01     
 11     93.9200000             -0.100225D+00     
S   1
  1     45.3400000              1.0000000        
S   1
  1     22.1500000              1.0000000        
S   1
  1     10.3400000              1.0000000        
S   1
  1      5.1190000              1.0000000        
S   1
  1      2.5530000              1.0000000        
S   1
  1      1.2820000              1.0000000        
S   1
  1      0.5450000              1.0000000        
S   1
  1      0.2411000              1.0000000        
S   1
  1      0.1035000              1.0000000        
P   3
  1   2200.0000000              0.239049D-03     
  2    521.4000000              0.207686D-02     
  3    169.0000000              0.112363D-01     
P   1
  1     64.0500000              1.0000000        
P   1
  1     26.7200000              1.0000000        
P   1
  1     11.8300000              1.0000000        
P   1
  1      5.3780000              1.0000000        
P   1
  1      2.4820000              1.0000000        
P   1
  1      1.1160000              1.0000000        
P   1
  1      0.4848000              1.0000000        
P   1
  1      0.2006000              1.0000000        
P   1
  1      0.0795100              1.0000000        
D   1
  1      0.2050000              1.0000000        
D   1
  1      0.5120000              1.0000000        
D   1
  1      1.2810000              1.0000000        
D   1
  1      3.2030000              1.0000000        
F   1
  1      0.2550000              1.0000000        
F   1
  1      0.5290000              1.0000000        
F   1
  1      1.0960000              1.0000000        
G   1
  1      0.4630000              1.0000000        
G   1
  1      1.0710000              1.0000000        
H   1
  1      0.8720000              1.0000000        


name: cc-pwCV5Z Core Set
description: V5Z4P Valence Quintuple Zeta + Polarization on All Atoms
elt: Cl
data:
CHLORINE
S   11
  1 6410000.0000000             0.181350D-05     
  2 959600.0000000              0.141118D-04     
  3 218300.0000000              0.742406D-04     
  4  61810.0000000              0.314131D-03     
  5  20140.0000000              0.114642D-02     
  6   7264.0000000              0.373888D-02     
  7   2832.0000000              0.110946D-01     
  8   1175.0000000              0.301152D-01     
  9    512.6000000              0.739145D-01     
 10    233.0000000              0.158258D+00     
 11    109.5000000              0.274753D+00     
S   11
  1 6410000.0000000            -0.508303D-06     
  2 959600.0000000             -0.395633D-05     
  3 218300.0000000             -0.208095D-04     
  4  61810.0000000             -0.881175D-04     
  5  20140.0000000             -0.321742D-03     
  6   7264.0000000             -0.105277D-02     
  7   2832.0000000             -0.314183D-02     
  8   1175.0000000             -0.866363D-02     
  9    512.6000000             -0.219353D-01     
 10    233.0000000             -0.502584D-01     
 11    109.5000000             -0.995414D-01     
S   1
  1     52.8600000              1.0000000        
S   1
  1     25.8400000              1.0000000        
S   1
  1     12.1700000              1.0000000        
S   1
  1      6.0300000              1.0000000        
S   1
  1      3.0120000              1.0000000        
S   1
  1      1.5110000              1.0000000        
S   1
  1      0.6604000              1.0000000        
S   1
  1      0.2926000              1.0000000        
S   1
  1      0.1254000              1.0000000        
P   3
  1   2548.0000000              0.235702D-03     
  2    603.7000000              0.205158D-02     
  3    195.6000000              0.111543D-01     
P   1
  1     74.1500000              1.0000000        
P   1
  1     30.9400000              1.0000000        
P   1
  1     13.6900000              1.0000000        
P   1
  1      6.2290000              1.0000000        
P   1
  1      2.8780000              1.0000000        
P   1
  1      1.2820000              1.0000000        
P   1
  1      0.5641000              1.0000000        
P   1
  1      0.2348000              1.0000000        
P   1
  1      0.0931200              1.0000000        
D   1
  1      0.2500000              1.0000000        
D   1
  1      0.6180000              1.0000000        
D   1
  1      1.5290000              1.0000000        
D   1
  1      3.7810000              1.0000000        
F   1
  1      0.3200000              1.0000000        
F   1
  1      0.6560000              1.0000000        
F   1
  1      1.3450000              1.0000000        
G   1
  1      0.5560000              1.0000000        
G   1
  1      1.3020000              1.0000000        
H   1
  1      1.0530000              1.0000000        


name: cc-pwCV5Z Core Set
description: V5Z4P Valence Quintuple Zeta + Polarization on All Atoms
elt: Ar
data:
ARGON
S   11
  1 7401000.0000000             0.00000175       
  2 1108000.0000000             0.00001361       
  3 252100.0000000              0.00007163       
  4  71380.0000000              0.00030303       
  5  23260.0000000              0.00110608       
  6   8390.0000000              0.00360671       
  7   3271.0000000              0.01071321       
  8   1357.0000000              0.02910677       
  9    592.0000000              0.07166011       
 10    269.1000000              0.15414053       
 11    126.5000000              0.27041707       
S   11
  1 7401000.0000000            -0.00000050       
  2 1108000.0000000            -0.00000387       
  3 252100.0000000             -0.00002034       
  4  71380.0000000             -0.00008609       
  5  23260.0000000             -0.00031444       
  6   8390.0000000             -0.00102841       
  7   3271.0000000             -0.00307267       
  8   1357.0000000             -0.00847532       
  9    592.0000000             -0.02152008       
 10    269.1000000             -0.04944932       
 11    126.5000000             -0.09877592       
S   1
  1     61.0300000              1.0000000        
S   1
  1     29.8600000              1.0000000        
S   1
  1     14.1700000              1.0000000        
S   1
  1      7.0220000              1.0000000        
S   1
  1      3.5110000              1.0000000        
S   1
  1      1.7580000              1.0000000        
S   1
  1      0.7841000              1.0000000        
S   1
  1      0.3480000              1.0000000        
S   1
  1      0.1491000              1.0000000        
P   3
  1   2927.0000000              0.00023199       
  2    693.5000000              0.00202329       
  3    224.7000000              0.01103401       
P   1
  1     85.1700000              1.0000000        
P   1
  1     35.5300000              1.0000000        
P   1
  1     15.7300000              1.0000000        
P   1
  1      7.1650000              1.0000000        
P   1
  1      3.3220000              1.0000000        
P   1
  1      1.4780000              1.0000000        
P   1
  1      0.6552000              1.0000000        
P   1
  1      0.2751000              1.0000000        
P   1
  1      0.1097000              1.0000000        
D   1
  1      0.3090000              1.0000000        
D   1
  1      0.7700000              1.0000000        
D   1
  1      1.9170000              1.0000000        
D   1
  1      4.7760000              1.0000000        
F   1
  1      0.4080000              1.0000000        
F   1
  1      0.8250000              1.0000000        
F   1
  1      1.6680000              1.0000000        
G   1
  1      0.6650000              1.0000000        
G   1
  1      1.5620000              1.0000000        
H   1
  1      1.2640000              1.0000000        


name: cc-pwCV5Z
description: 5Z4P Quintuple Zeta + Polarization + Tight Core
elt: B
data:
BORON
S   10
  1  68260.0000000              0.0000240        
  2  10230.0000000              0.0001850        
  3   2328.0000000              0.0009700        
  4    660.4000000              0.0040560        
  5    216.2000000              0.0143990        
  6     78.6000000              0.0439010        
  7     30.9800000              0.1130570        
  8     12.9600000              0.2338250        
  9      5.6590000              0.3539600        
 10      2.5560000              0.3015470        
S   10
  1  68260.0000000             -0.0000050        
  2  10230.0000000             -0.0000370        
  3   2328.0000000             -0.0001960        
  4    660.4000000             -0.0008240        
  5    216.2000000             -0.0029230        
  6     78.6000000             -0.0091380        
  7     30.9800000             -0.0241050        
  8     12.9600000             -0.0547550        
  9      5.6590000             -0.0969430        
 10      2.5560000             -0.1374850        
S   1
  1      1.1750000              1.0000000        
S   1
  1      0.4249000              1.0000000        
S   1
  1      0.1712000              1.0000000        
S   1
  1      0.0691300              1.0000000        
S   1
  1      5.8140000              1.0000000        
S   1
  1     12.8940000              1.0000000        
S   1
  1     28.5950000              1.0000000        
S   1
  1     63.4190000              1.0000000        
P   4
  1     66.4400000              0.0008380        
  2     15.7100000              0.0064090        
  3      4.9360000              0.0280810        
  4      1.7700000              0.0921520        
P   1
  1      0.7008000              1.0000000        
P   1
  1      0.2901000              1.0000000        
P   1
  1      0.1211000              1.0000000        
P   1
  1      0.0497300              1.0000000        
P   1
  1      3.9740000              1.0000000        
P   1
  1     10.2720000              1.0000000        
P   1
  1     26.5480000              1.0000000        
P   1
  1     68.6130000              1.0000000        
D   1
  1      2.0100000              1.0000000        
D   1
  1      0.7960000              1.0000000        
D   1
  1      0.3160000              1.0000000        
D   1
  1      0.1250000              1.0000000        
D   1
  1      4.9550000              1.0000000        
D   1
  1     14.6710000              1.0000000        
D   1
  1     43.4370000              1.0000000        
F   1
  1      1.2150000              1.0000000        
F   1
  1      0.5250000              1.0000000        
F   1
  1      0.2270000              1.0000000        
F   1
  1      4.2920000              1.0000000        
F   1
  1     20.4500000              1.0000000        
G   1
  1      1.1240000              1.0000000        
G   1
  1      0.4610000              1.0000000        
G   1
  1      4.3880000              1.0000000        
H   1
  1      0.8340000              1.0000000        


name: cc-pwCV5Z
description: 5Z4P Quintuple Zeta + Polarization + Tight Core
elt: C
data:
CARBON
S   10
  1  96770.0000000              0.0000250        
  2  14500.0000000              0.0001900        
  3   3300.0000000              0.0010000        
  4    935.8000000              0.0041830        
  5    306.2000000              0.0148590        
  6    111.3000000              0.0453010        
  7     43.9000000              0.1165040        
  8     18.4000000              0.2402490        
  9      8.0540000              0.3587990        
 10      3.6370000              0.2939410        
S   10
  1  96770.0000000             -0.0000050        
  2  14500.0000000             -0.0000410        
  3   3300.0000000             -0.0002130        
  4    935.8000000             -0.0008970        
  5    306.2000000             -0.0031870        
  6    111.3000000             -0.0099610        
  7     43.9000000             -0.0263750        
  8     18.4000000             -0.0600010        
  9      8.0540000             -0.1068250        
 10      3.6370000             -0.1441660        
S   1
  1      1.6560000              1.0000000        
S   1
  1      0.6333000              1.0000000        
S   1
  1      0.2545000              1.0000000        
S   1
  1      0.1019000              1.0000000        
S   1
  1      7.9670000              1.0000000        
S   1
  1     17.4520000              1.0000000        
S   1
  1     38.2260000              1.0000000        
S   1
  1     83.7310000              1.0000000        
P   4
  1    101.8000000              0.0008910        
  2     24.0400000              0.0069760        
  3      7.5710000              0.0316690        
  4      2.7320000              0.1040060        
P   1
  1      1.0850000              1.0000000        
P   1
  1      0.4496000              1.0000000        
P   1
  1      0.1876000              1.0000000        
P   1
  1      0.0760600              1.0000000        
P   1
  1      6.0800000              1.0000000        
P   1
  1     15.3580000              1.0000000        
P   1
  1     38.7990000              1.0000000        
P   1
  1     98.0170000              1.0000000        
D   1
  1      3.1340000              1.0000000        
D   1
  1      1.2330000              1.0000000        
D   1
  1      0.4850000              1.0000000        
D   1
  1      0.1910000              1.0000000        
D   1
  1      7.5910000              1.0000000        
D   1
  1     21.4190000              1.0000000        
D   1
  1     60.4390000              1.0000000        
F   1
  1      2.0060000              1.0000000        
F   1
  1      0.8380000              1.0000000        
F   1
  1      0.3500000              1.0000000        
F   1
  1      6.6980000              1.0000000        
F   1
  1     24.3980000              1.0000000        
G   1
  1      1.7530000              1.0000000        
G   1
  1      0.6780000              1.0000000        
G   1
  1      7.3110000              1.0000000        
H   1
  1      1.2590000              1.0000000        


name: cc-pwCV5Z
description: 5Z4P Quintuple Zeta + Polarization + Tight Core
elt: N
data:
NITROGEN
S   10
  1 129200.0000000              0.0000250        
  2  19350.0000000              0.0001970        
  3   4404.0000000              0.0010320        
  4   1248.0000000              0.0043250        
  5    408.0000000              0.0153800        
  6    148.2000000              0.0468670        
  7     58.5000000              0.1201160        
  8     24.5900000              0.2456950        
  9     10.8100000              0.3613790        
 10      4.8820000              0.2872830        
S   10
  1 129200.0000000             -0.0000060        
  2  19350.0000000             -0.0000430        
  3   4404.0000000             -0.0002270        
  4   1248.0000000             -0.0009580        
  5    408.0000000             -0.0034160        
  6    148.2000000             -0.0106670        
  7     58.5000000             -0.0282790        
  8     24.5900000             -0.0640200        
  9     10.8100000             -0.1139320        
 10      4.8820000             -0.1469950        
S   1
  1      2.1950000              1.0000000        
S   1
  1      0.8715000              1.0000000        
S   1
  1      0.3504000              1.0000000        
S   1
  1      0.1397000              1.0000000        
S   1
  1     10.4220000              1.0000000        
S   1
  1     22.5960000              1.0000000        
S   1
  1     48.9930000              1.0000000        
S   1
  1    106.2260000              1.0000000        
P   4
  1    147.0000000              0.0008920        
  2     34.7600000              0.0070820        
  3     11.0000000              0.0328160        
  4      3.9950000              0.1082090        
P   1
  1      1.5870000              1.0000000        
P   1
  1      0.6533000              1.0000000        
P   1
  1      0.2686000              1.0000000        
P   1
  1      0.1067000              1.0000000        
P   1
  1      8.7660000              1.0000000        
P   1
  1     21.6760000              1.0000000        
P   1
  1     53.6000000              1.0000000        
P   1
  1    132.5440000              1.0000000        
D   1
  1      4.6470000              1.0000000        
D   1
  1      1.8130000              1.0000000        
D   1
  1      0.7070000              1.0000000        
D   1
  1      0.2760000              1.0000000        
D   1
  1     11.0160000              1.0000000        
D   1
  1     29.8060000              1.0000000        
D   1
  1     80.6430000              1.0000000        
F   1
  1      2.9420000              1.0000000        
F   1
  1      1.2040000              1.0000000        
F   1
  1      0.4930000              1.0000000        
F   1
  1      9.4860000              1.0000000        
F   1
  1     30.7520000              1.0000000        
G   1
  1      2.5110000              1.0000000        
G   1
  1      0.9420000              1.0000000        
G   1
  1     10.8350000              1.0000000        
H   1
  1      1.7680000              1.0000000        


name: cc-pwCV5Z
description: 5Z4P Quintuple Zeta + Polarization + Tight Core
elt: O
data:
OXYGEN
S   10
  1 164200.0000000              0.0000260        
  2  24590.0000000              0.0002050        
  3   5592.0000000              0.0010760        
  4   1582.0000000              0.0045220        
  5    516.1000000              0.0161080        
  6    187.2000000              0.0490850        
  7     73.9300000              0.1248570        
  8     31.2200000              0.2516860        
  9     13.8100000              0.3624200        
 10      6.2560000              0.2790510        
S   10
  1 164200.0000000             -0.0000060        
  2  24590.0000000             -0.0000460        
  3   5592.0000000             -0.0002440        
  4   1582.0000000             -0.0010310        
  5    516.1000000             -0.0036880        
  6    187.2000000             -0.0115140        
  7     73.9300000             -0.0304350        
  8     31.2200000             -0.0681470        
  9     13.8100000             -0.1203680        
 10      6.2560000             -0.1482600        
S   1
  1      2.7760000              1.0000000        
S   1
  1      1.1380000              1.0000000        
S   1
  1      0.4600000              1.0000000        
S   1
  1      0.1829000              1.0000000        
S   1
  1     12.9410000              1.0000000        
S   1
  1     28.2000000              1.0000000        
S   1
  1     61.4490000              1.0000000        
S   1
  1    133.9000000              1.0000000        
P   4
  1    195.5000000              0.0009180        
  2     46.1600000              0.0073880        
  3     14.5800000              0.0349580        
  4      5.2960000              0.1154310        
P   1
  1      2.0940000              1.0000000        
P   1
  1      0.8471000              1.0000000        
P   1
  1      0.3368000              1.0000000        
P   1
  1      0.1285000              1.0000000        
P   1
  1     11.5600000              1.0000000        
P   1
  1     28.3210000              1.0000000        
P   1
  1     69.3870000              1.0000000        
P   1
  1    169.9980000              1.0000000        
D   1
  1      5.8790000              1.0000000        
D   1
  1      2.3070000              1.0000000        
D   1
  1      0.9050000              1.0000000        
D   1
  1      0.3550000              1.0000000        
D   1
  1     14.0080000              1.0000000        
D   1
  1     37.2450000              1.0000000        
D   1
  1     99.0260000              1.0000000        
F   1
  1      4.0160000              1.0000000        
F   1
  1      1.5540000              1.0000000        
F   1
  1      0.6010000              1.0000000        
F   1
  1     12.6530000              1.0000000        
F   1
  1     38.7370000              1.0000000        
G   1
  1      3.3500000              1.0000000        
G   1
  1      1.1890000              1.0000000        
G   1
  1     14.8860000              1.0000000        
H   1
  1      2.3190000              1.0000000        


name: cc-pwCV5Z
description: 5Z4P Quintuple Zeta + Polarization + Tight Core
elt: F
data:
FLUORINE
S   10
  1 211400.0000000              0.0000260        
  2  31660.0000000              0.0002010        
  3   7202.0000000              0.0010560        
  4   2040.0000000              0.0044320        
  5    666.4000000              0.0157660        
  6    242.0000000              0.0481120        
  7     95.5300000              0.1232320        
  8     40.2300000              0.2515190        
  9     17.7200000              0.3645250        
 10      8.0050000              0.2797660        
S   10
  1 211400.0000000             -0.0000060        
  2  31660.0000000             -0.0000470        
  3   7202.0000000             -0.0002440        
  4   2040.0000000             -0.0010310        
  5    666.4000000             -0.0036830        
  6    242.0000000             -0.0115130        
  7     95.5300000             -0.0306630        
  8     40.2300000             -0.0695720        
  9     17.7200000             -0.1239920        
 10      8.0050000             -0.1502140        
S   1
  1      3.5380000              1.0000000        
S   1
  1      1.4580000              1.0000000        
S   1
  1      0.5887000              1.0000000        
S   1
  1      0.2324000              1.0000000        
S   1
  1     16.2490000              1.0000000        
S   1
  1     35.0330000              1.0000000        
S   1
  1     75.5310000              1.0000000        
S   1
  1    162.8450000              1.0000000        
P   4
  1    241.9000000              0.0010020        
  2     57.1700000              0.0080540        
  3     18.1300000              0.0380480        
  4      6.6240000              0.1237790        
P   1
  1      2.6220000              1.0000000        
P   1
  1      1.0570000              1.0000000        
P   1
  1      0.4176000              1.0000000        
P   1
  1      0.1574000              1.0000000        
P   1
  1     14.5470000              1.0000000        
P   1
  1     35.3800000              1.0000000        
P   1
  1     86.0510000              1.0000000        
P   1
  1    209.2930000              1.0000000        
D   1
  1      7.7600000              1.0000000        
D   1
  1      3.0320000              1.0000000        
D   1
  1      1.1850000              1.0000000        
D   1
  1      0.4630000              1.0000000        
D   1
  1     18.3330000              1.0000000        
D   1
  1     47.6340000              1.0000000        
D   1
  1    123.7710000              1.0000000        
F   1
  1      5.3980000              1.0000000        
F   1
  1      2.0780000              1.0000000        
F   1
  1      0.8000000              1.0000000        
F   1
  1     16.6460000              1.0000000        
F   1
  1     49.4130000              1.0000000        
G   1
  1      4.3380000              1.0000000        
G   1
  1      1.5130000              1.0000000        
G   1
  1     19.6090000              1.0000000        
H   1
  1      2.9950000              1.0000000        


name: cc-pwCV5Z
description: 5Z4P Quintuple Zeta + Polarization + Tight Core
elt: Ne
data:
NEON
S   10
  1 262700.0000000              0.0000260        
  2  39350.0000000              0.0002000        
  3   8955.0000000              0.0010500        
  4   2538.0000000              0.0044000        
  5    829.9000000              0.0156490        
  6    301.5000000              0.0477580        
  7    119.0000000              0.1229430        
  8     50.0000000              0.2524830        
  9     21.9800000              0.3663140        
 10      9.8910000              0.2796170        
S   10
  1 262700.0000000             -0.0000060        
  2  39350.0000000             -0.0000470        
  3   8955.0000000             -0.0002470        
  4   2538.0000000             -0.0010380        
  5    829.9000000             -0.0037110        
  6    301.5000000             -0.0115930        
  7    119.0000000             -0.0310860        
  8     50.0000000             -0.0709720        
  9     21.9800000             -0.1272660        
 10      9.8910000             -0.1512310        
S   1
  1      4.3270000              1.0000000        
S   1
  1      1.8040000              1.0000000        
S   1
  1      0.7288000              1.0000000        
S   1
  1      0.2867000              1.0000000        
S   1
  1     19.8560000              1.0000000        
S   1
  1     42.5410000              1.0000000        
S   1
  1     91.1390000              1.0000000        
S   1
  1    195.2560000              1.0000000        
P   4
  1    299.1000000              0.0010380        
  2     70.7300000              0.0083750        
  3     22.4800000              0.0396930        
  4      8.2460000              0.1280560        
P   1
  1      3.2690000              1.0000000        
P   1
  1      1.3150000              1.0000000        
P   1
  1      0.5158000              1.0000000        
P   1
  1      0.1918000              1.0000000        
P   1
  1     18.0930000              1.0000000        
P   1
  1     43.4690000              1.0000000        
P   1
  1    104.4380000              1.0000000        
P   1
  1    250.9190000              1.0000000        
D   1
  1      9.8370000              1.0000000        
D   1
  1      3.8440000              1.0000000        
D   1
  1      1.5020000              1.0000000        
D   1
  1      0.5870000              1.0000000        
D   1
  1     23.1150000              1.0000000        
D   1
  1     58.9830000              1.0000000        
D   1
  1    150.5080000              1.0000000        
F   1
  1      7.0900000              1.0000000        
F   1
  1      2.7380000              1.0000000        
F   1
  1      1.0570000              1.0000000        
F   1
  1     21.4600000              1.0000000        
F   1
  1     62.3680000              1.0000000        
G   1
  1      5.4600000              1.0000000        
G   1
  1      1.8800000              1.0000000        
G   1
  1     24.9730000              1.0000000        
H   1
  1      3.7760000              1.0000000        


name: cc-pwCV5Z
description: 5Z4P Quintuple Zeta + Polarization + Tight Core
elt: Al
data:
ALUMINUM
S   11
  1 3269000.0000000             0.213962D-05     
  2 489400.0000000              0.166264D-04     
  3 111400.0000000              0.875168D-04     
  4  31560.0000000              0.368990D-03     
  5  10320.0000000              0.133903D-02     
  6   3731.0000000              0.435636D-02     
  7   1456.0000000              0.128955D-01     
  8    604.1000000              0.348201D-01     
  9    263.5000000              0.843530D-01     
 10    119.8000000              0.175907D+00     
 11     56.3200000              0.292091D+00     
S   11
  1 3269000.0000000            -0.556026D-06     
  2 489400.0000000             -0.432303D-05     
  3 111400.0000000             -0.227413D-04     
  4  31560.0000000             -0.960116D-04     
  5  10320.0000000             -0.348376D-03     
  6   3731.0000000             -0.113836D-02     
  7   1456.0000000             -0.338744D-02     
  8    604.1000000             -0.931505D-02     
  9    263.5000000             -0.233023D-01     
 10    119.8000000             -0.523486D-01     
 11     56.3200000             -0.999499D-01     
S   1
  1     27.1900000              1.0000000        
S   1
  1     13.2600000              1.0000000        
S   1
  1      6.0520000              1.0000000        
S   1
  1      2.9810000              1.0000000        
S   1
  1      1.4760000              1.0000000        
S   1
  1      0.7334000              1.0000000        
S   1
  1      0.2447000              1.0000000        
S   1
  1      0.1088000              1.0000000        
S   1
  1      0.0467200              1.0000000        
P   3
  1   1461.0000000              0.208613D-03     
  2    346.2000000              0.181005D-02     
  3    112.2000000              0.973433D-02     
P   1
  1     42.5100000              1.0000000        
P   1
  1     17.7200000              1.0000000        
P   1
  1      7.8520000              1.0000000        
P   1
  1      3.5710000              1.0000000        
P   1
  1      1.6370000              1.0000000        
P   1
  1      0.7382000              1.0000000        
P   1
  1      0.2577000              1.0000000        
P   1
  1      0.0977300              1.0000000        
P   1
  1      0.0369000              1.0000000        
D   1
  1      1.3170000              1.0000000        
D   1
  1      0.5260000              1.0000000        
D   1
  1      0.2100000              1.0000000        
D   1
  1      0.0840000              1.0000000        
D   1
  1      2.5890000              1.0000000        
D   1
  1      5.4360000              1.0000000        
D   1
  1     11.4150000              1.0000000        
D   1
  1     23.9730000              1.0000000        
F   1
  1      0.1300000              1.0000000        
F   1
  1      0.2580000              1.0000000        
F   1
  1      0.5130000              1.0000000        
F   1
  1      1.5020000              1.0000000        
F   1
  1      3.9740000              1.0000000        
F   1
  1     10.5130000              1.0000000        
G   1
  1      0.2520000              1.0000000        
G   1
  1      0.5430000              1.0000000        
G   1
  1      1.7460000              1.0000000        
G   1
  1      9.0060000              1.0000000        
H   1
  1      0.4460000              1.0000000        
H   1
  1      1.8300000              1.0000000        


name: cc-pwCV5Z
description: 5Z4P Quintuple Zeta + Polarization + Tight Core
elt: Si
data:
SILICON
S   11
  1 3948000.0000000             0.203712D-05     
  2 591100.0000000              0.158394D-04     
  3 134500.0000000              0.833590D-04     
  4  38120.0000000              0.351361D-03     
  5  12460.0000000              0.127660D-02     
  6   4504.0000000              0.415191D-02     
  7   1758.0000000              0.123030D-01     
  8    729.1000000              0.333102D-01     
  9    318.0000000              0.809845D-01     
 10    144.6000000              0.170290D+00     
 11     67.9700000              0.286879D+00     
S   11
  1 3948000.0000000            -0.542085D-06     
  2 591100.0000000             -0.421677D-05     
  3 134500.0000000             -0.221813D-04     
  4  38120.0000000             -0.936028D-04     
  5  12460.0000000             -0.340116D-03     
  6   4504.0000000             -0.111061D-02     
  7   1758.0000000             -0.330878D-02     
  8    729.1000000             -0.911602D-02     
  9    318.0000000             -0.228790D-01     
 10    144.6000000             -0.517119D-01     
 11     67.9700000             -0.999091D-01     
S   1
  1     32.8200000              1.0000000        
S   1
  1     16.0300000              1.0000000        
S   1
  1      7.3960000              1.0000000        
S   1
  1      3.6610000              1.0000000        
S   1
  1      1.8230000              1.0000000        
S   1
  1      0.9147000              1.0000000        
S   1
  1      0.3393000              1.0000000        
S   1
  1      0.1500000              1.0000000        
S   1
  1      0.0643800              1.0000000        
P   3
  1   1780.0000000              0.201206D-03     
  2    421.8000000              0.174937D-02     
  3    136.7000000              0.948141D-02     
P   1
  1     51.8100000              1.0000000        
P   1
  1     21.6000000              1.0000000        
P   1
  1      9.5630000              1.0000000        
P   1
  1      4.3500000              1.0000000        
P   1
  1      2.0060000              1.0000000        
P   1
  1      0.9205000              1.0000000        
P   1
  1      0.3500000              1.0000000        
P   1
  1      0.1381000              1.0000000        
P   1
  1      0.0533800              1.0000000        
D   1
  1      0.1260000              1.0000000        
D   1
  1      0.3210000              1.0000000        
D   1
  1      0.8170000              1.0000000        
D   1
  1      2.0820000              1.0000000        
D   1
  1      2.7340000              1.0000000        
D   1
  1      6.0570000              1.0000000        
D   1
  1     13.4200000              1.0000000        
D   1
  1     29.7320000              1.0000000        
F   1
  1      0.1690000              1.0000000        
F   1
  1      0.3410000              1.0000000        
F   1
  1      0.6880000              1.0000000        
F   1
  1      1.9450000              1.0000000        
F   1
  1      5.1010000              1.0000000        
F   1
  1     13.3810000              1.0000000        
G   1
  1      0.3200000              1.0000000        
G   1
  1      0.7050000              1.0000000        
G   1
  1      2.1610000              1.0000000        
G   1
  1     11.4350000              1.0000000        
H   1
  1      0.5830000              1.0000000        
H   1
  1      2.2250000              1.0000000        


name: cc-pwCV5Z
description: 5Z4P Quintuple Zeta + Polarization + Tight Core
elt: P
data:
PHOSPHOROUS
S   11
  1 4666000.0000000             0.196759D-05     
  2 698600.0000000              0.152963D-04     
  3 159000.0000000              0.804826D-04     
  4  45040.0000000              0.339737D-03     
  5  14720.0000000              0.123291D-02     
  6   5323.0000000              0.401345D-02     
  7   2076.0000000              0.119124D-01     
  8    861.1000000              0.322511D-01     
  9    375.7000000              0.786643D-01     
 10    170.8000000              0.166458D+00     
 11     80.2900000              0.283039D+00     
S   11
  1 4666000.0000000            -0.534153D-06     
  2 698600.0000000             -0.415422D-05     
  3 159000.0000000             -0.218484D-04     
  4  45040.0000000             -0.923272D-04     
  5  14720.0000000             -0.335109D-03     
  6   5323.0000000             -0.109508D-02     
  7   2076.0000000             -0.326798D-02     
  8    861.1000000             -0.899951D-02     
  9    375.7000000             -0.226528D-01     
 10    170.8000000             -0.514650D-01     
 11     80.2900000             -0.100186D+00     
S   1
  1     38.7700000              1.0000000        
S   1
  1     18.9300000              1.0000000        
S   1
  1      8.7960000              1.0000000        
S   1
  1      4.3580000              1.0000000        
S   1
  1      2.1740000              1.0000000        
S   1
  1      1.0950000              1.0000000        
S   1
  1      0.4400000              1.0000000        
S   1
  1      0.1945000              1.0000000        
S   1
  1      0.0837600              1.0000000        
P   3
  1   2010.0000000              0.215915D-03     
  2    476.3000000              0.187536D-02     
  3    154.4000000              0.101742D-01     
P   1
  1     58.5100000              1.0000000        
P   1
  1     24.4000000              1.0000000        
P   1
  1     10.8000000              1.0000000        
P   1
  1      4.9130000              1.0000000        
P   1
  1      2.2690000              1.0000000        
P   1
  1      1.0430000              1.0000000        
P   1
  1      0.4313000              1.0000000        
P   1
  1      0.1767000              1.0000000        
P   1
  1      0.0700900              1.0000000        
D   1
  1      0.1660000              1.0000000        
D   1
  1      0.4180000              1.0000000        
D   1
  1      1.0540000              1.0000000        
D   1
  1      2.6560000              1.0000000        
D   1
  1      3.5350000              1.0000000        
D   1
  1      7.7590000              1.0000000        
D   1
  1     17.0310000              1.0000000        
D   1
  1     37.3860000              1.0000000        
F   1
  1      0.2190000              1.0000000        
F   1
  1      0.4500000              1.0000000        
F   1
  1      0.9230000              1.0000000        
F   1
  1      2.5040000              1.0000000        
F   1
  1      6.5270000              1.0000000        
F   1
  1     17.0100000              1.0000000        
G   1
  1      0.4120000              1.0000000        
G   1
  1      0.9030000              1.0000000        
G   1
  1      2.6540000              1.0000000        
G   1
  1     14.1340000              1.0000000        
H   1
  1      0.7450000              1.0000000        
H   1
  1      2.7040000              1.0000000        


name: cc-pwCV5Z
description: 5Z4P Quintuple Zeta + Polarization + Tight Core
elt: S
data:
SULFUR
S   11
  1 5481000.0000000             0.189338D-05     
  2 820600.0000000              0.147211D-04     
  3 186700.0000000              0.775084D-04     
  4  52880.0000000              0.327224D-03     
  5  17250.0000000              0.119365D-02     
  6   6226.0000000              0.388393D-02     
  7   2429.0000000              0.115336D-01     
  8   1007.0000000              0.312748D-01     
  9    439.5000000              0.764387D-01     
 10    199.8000000              0.162700D+00     
 11     93.9200000              0.279328D+00     
S   11
  1 5481000.0000000            -0.522912D-06     
  2 820600.0000000             -0.406690D-05     
  3 186700.0000000             -0.214065D-04     
  4  52880.0000000             -0.904540D-04     
  5  17250.0000000             -0.330080D-03     
  6   6226.0000000             -0.107782D-02     
  7   2429.0000000             -0.321874D-02     
  8   1007.0000000             -0.887217D-02     
  9    439.5000000             -0.223771D-01     
 10    199.8000000             -0.510577D-01     
 11     93.9200000             -0.100225D+00     
S   1
  1     45.3400000              1.0000000        
S   1
  1     22.1500000              1.0000000        
S   1
  1     10.3400000              1.0000000        
S   1
  1      5.1190000              1.0000000        
S   1
  1      2.5530000              1.0000000        
S   1
  1      1.2820000              1.0000000        
S   1
  1      0.5450000              1.0000000        
S   1
  1      0.2411000              1.0000000        
S   1
  1      0.1035000              1.0000000        
P   3
  1   2200.0000000              0.239049D-03     
  2    521.4000000              0.207686D-02     
  3    169.0000000              0.112363D-01     
P   1
  1     64.0500000              1.0000000        
P   1
  1     26.7200000              1.0000000        
P   1
  1     11.8300000              1.0000000        
P   1
  1      5.3780000              1.0000000        
P   1
  1      2.4820000              1.0000000        
P   1
  1      1.1160000              1.0000000        
P   1
  1      0.4848000              1.0000000        
P   1
  1      0.2006000              1.0000000        
P   1
  1      0.0795100              1.0000000        
D   1
  1      0.2050000              1.0000000        
D   1
  1      0.5120000              1.0000000        
D   1
  1      1.2810000              1.0000000        
D   1
  1      3.2030000              1.0000000        
D   1
  1      4.4900000              1.0000000        
D   1
  1      9.7130000              1.0000000        
D   1
  1     21.0130000              1.0000000        
D   1
  1     45.4580000              1.0000000        
F   1
  1      0.2550000              1.0000000        
F   1
  1      0.5290000              1.0000000        
F   1
  1      1.0960000              1.0000000        
F   1
  1      2.9980000              1.0000000        
F   1
  1      7.8370000              1.0000000        
F   1
  1     20.4850000              1.0000000        
G   1
  1      0.4630000              1.0000000        
G   1
  1      1.0710000              1.0000000        
G   1
  1      3.1540000              1.0000000        
G   1
  1     17.1010000              1.0000000        
H   1
  1      0.8720000              1.0000000        
H   1
  1      3.2310000              1.0000000        


name: cc-pwCV5Z
description: 5Z4P Quintuple Zeta + Polarization + Tight Core
elt: Cl
data:
CHLORINE
S   11
  1 6410000.0000000             0.181350D-05     
  2 959600.0000000              0.141118D-04     
  3 218300.0000000              0.742406D-04     
  4  61810.0000000              0.314131D-03     
  5  20140.0000000              0.114642D-02     
  6   7264.0000000              0.373888D-02     
  7   2832.0000000              0.110946D-01     
  8   1175.0000000              0.301152D-01     
  9    512.6000000              0.739145D-01     
 10    233.0000000              0.158258D+00     
 11    109.5000000              0.274753D+00     
S   11
  1 6410000.0000000            -0.508303D-06     
  2 959600.0000000             -0.395633D-05     
  3 218300.0000000             -0.208095D-04     
  4  61810.0000000             -0.881175D-04     
  5  20140.0000000             -0.321742D-03     
  6   7264.0000000             -0.105277D-02     
  7   2832.0000000             -0.314183D-02     
  8   1175.0000000             -0.866363D-02     
  9    512.6000000             -0.219353D-01     
 10    233.0000000             -0.502584D-01     
 11    109.5000000             -0.995414D-01     
S   1
  1     52.8600000              1.0000000        
S   1
  1     25.8400000              1.0000000        
S   1
  1     12.1700000              1.0000000        
S   1
  1      6.0300000              1.0000000        
S   1
  1      3.0120000              1.0000000        
S   1
  1      1.5110000              1.0000000        
S   1
  1      0.6604000              1.0000000        
S   1
  1      0.2926000              1.0000000        
S   1
  1      0.1254000              1.0000000        
P   3
  1   2548.0000000              0.235702D-03     
  2    603.7000000              0.205158D-02     
  3    195.6000000              0.111543D-01     
P   1
  1     74.1500000              1.0000000        
P   1
  1     30.9400000              1.0000000        
P   1
  1     13.6900000              1.0000000        
P   1
  1      6.2290000              1.0000000        
P   1
  1      2.8780000              1.0000000        
P   1
  1      1.2820000              1.0000000        
P   1
  1      0.5641000              1.0000000        
P   1
  1      0.2348000              1.0000000        
P   1
  1      0.0931200              1.0000000        
D   1
  1      0.2500000              1.0000000        
D   1
  1      0.6180000              1.0000000        
D   1
  1      1.5290000              1.0000000        
D   1
  1      3.7810000              1.0000000        
D   1
  1      5.7310000              1.0000000        
D   1
  1     12.1520000              1.0000000        
D   1
  1     25.7700000              1.0000000        
D   1
  1     54.6490000              1.0000000        
F   1
  1      0.3200000              1.0000000        
F   1
  1      0.6560000              1.0000000        
F   1
  1      1.3450000              1.0000000        
F   1
  1      3.6390000              1.0000000        
F   1
  1      9.4950000              1.0000000        
F   1
  1     24.7740000              1.0000000        
G   1
  1      0.5560000              1.0000000        
G   1
  1      1.3020000              1.0000000        
G   1
  1      3.7560000              1.0000000        
G   1
  1     20.3680000              1.0000000        
H   1
  1      1.0530000              1.0000000        
H   1
  1      3.8360000              1.0000000        


name: cc-pwCV5Z
description: 5Z4P Quintuple Zeta + Polarization + Tight Core
elt: Ar
data:
ARGON
S   11
  1 7401000.0000000             0.00000175       
  2 1108000.0000000             0.00001361       
  3 252100.0000000              0.00007163       
  4  71380.0000000              0.00030303       
  5  23260.0000000              0.00110608       
  6   8390.0000000              0.00360671       
  7   3271.0000000              0.01071321       
  8   1357.0000000              0.02910677       
  9    592.0000000              0.07166011       
 10    269.1000000              0.15414053       
 11    126.5000000              0.27041707       
S   11
  1 7401000.0000000            -0.00000050       
  2 1108000.0000000            -0.00000387       
  3 252100.0000000             -0.00002034       
  4  71380.0000000             -0.00008609       
  5  23260.0000000             -0.00031444       
  6   8390.0000000             -0.00102841       
  7   3271.0000000             -0.00307267       
  8   1357.0000000             -0.00847532       
  9    592.0000000             -0.02152008       
 10    269.1000000             -0.04944932       
 11    126.5000000             -0.09877592       
S   1
  1     61.0300000              1.0000000        
S   1
  1     29.8600000              1.0000000        
S   1
  1     14.1700000              1.0000000        
S   1
  1      7.0220000              1.0000000        
S   1
  1      3.5110000              1.0000000        
S   1
  1      1.7580000              1.0000000        
S   1
  1      0.7841000              1.0000000        
S   1
  1      0.3480000              1.0000000        
S   1
  1      0.1491000              1.0000000        
P   3
  1   2927.0000000              0.00023199       
  2    693.5000000              0.00202329       
  3    224.7000000              0.01103401       
P   1
  1     85.1700000              1.0000000        
P   1
  1     35.5300000              1.0000000        
P   1
  1     15.7300000              1.0000000        
P   1
  1      7.1650000              1.0000000        
P   1
  1      3.3220000              1.0000000        
P   1
  1      1.4780000              1.0000000        
P   1
  1      0.6552000              1.0000000        
P   1
  1      0.2751000              1.0000000        
P   1
  1      0.1097000              1.0000000        
D   1
  1      0.3090000              1.0000000        
D   1
  1      0.7700000              1.0000000        
D   1
  1      1.9170000              1.0000000        
D   1
  1      4.7760000              1.0000000        
D   1
  1      6.2510000              1.0000000        
D   1
  1     13.5750000              1.0000000        
D   1
  1     29.4820000              1.0000000        
D   1
  1     64.0290000              1.0000000        
F   1
  1      0.4080000              1.0000000        
F   1
  1      0.8250000              1.0000000        
F   1
  1      1.6680000              1.0000000        
F   1
  1      4.4170000              1.0000000        
F   1
  1     11.4600000              1.0000000        
F   1
  1     29.7360000              1.0000000        
G   1
  1      0.6650000              1.0000000        
G   1
  1      1.5620000              1.0000000        
G   1
  1      4.4270000              1.0000000        
G   1
  1     23.9030000              1.0000000        
H   1
  1      1.2640000              1.0000000        
H   1
  1      4.5180000              1.0000000        


name: cc-pwCV5Z Tight
description: 4T Tight Functions
elt: B
data:
BORON
S   1
  1      5.8140000              1.0000000        
S   1
  1     12.8940000              1.0000000        
S   1
  1     28.5950000              1.0000000        
S   1
  1     63.4190000              1.0000000        
P   1
  1      3.9740000              1.0000000        
P   1
  1     10.2720000              1.0000000        
P   1
  1     26.5480000              1.0000000        
P   1
  1     68.6130000              1.0000000        
D   1
  1      4.9550000              1.0000000        
D   1
  1     14.6710000              1.0000000        
D   1
  1     43.4370000              1.0000000        
F   1
  1      4.2920000              1.0000000        
F   1
  1     20.4500000              1.0000000        
G   1
  1      4.3880000              1.0000000        


name: cc-pwCV5Z Tight
description: 4T Tight Functions
elt: C
data:
CARBON
S   1
  1      7.9670000              1.0000000        
S   1
  1     17.4520000              1.0000000        
S   1
  1     38.2260000              1.0000000        
S   1
  1     83.7310000              1.0000000        
P   1
  1      6.0800000              1.0000000        
P   1
  1     15.3580000              1.0000000        
P   1
  1     38.7990000              1.0000000        
P   1
  1     98.0170000              1.0000000        
D   1
  1      7.5910000              1.0000000        
D   1
  1     21.4190000              1.0000000        
D   1
  1     60.4390000              1.0000000        
F   1
  1      6.6980000              1.0000000        
F   1
  1     24.3980000              1.0000000        
G   1
  1      7.3110000              1.0000000        


name: cc-pwCV5Z Tight
description: 4T Tight Functions
elt: N
data:
NITROGEN
S   1
  1     10.4220000              1.0000000        
S   1
  1     22.5960000              1.0000000        
S   1
  1     48.9930000              1.0000000        
S   1
  1    106.2260000              1.0000000        
P   1
  1      8.7660000              1.0000000        
P   1
  1     21.6760000              1.0000000        
P   1
  1     53.6000000              1.0000000        
P   1
  1    132.5440000              1.0000000        
D   1
  1     11.0160000              1.0000000        
D   1
  1     29.8060000              1.0000000        
D   1
  1     80.6430000              1.0000000        
F   1
  1      9.4860000              1.0000000        
F   1
  1     30.7520000              1.0000000        
G   1
  1     10.8350000              1.0000000        


name: cc-pwCV5Z Tight
description: 4T Tight Functions
elt: O
data:
OXYGEN
S   1
  1     12.9410000              1.0000000        
S   1
  1     28.2000000              1.0000000        
S   1
  1     61.4490000              1.0000000        
S   1
  1    133.9000000              1.0000000        
P   1
  1     11.5600000              1.0000000        
P   1
  1     28.3210000              1.0000000        
P   1
  1     69.3870000              1.0000000        
P   1
  1    169.9980000              1.0000000        
D   1
  1     14.0080000              1.0000000        
D   1
  1     37.2450000              1.0000000        
D   1
  1     99.0260000              1.0000000        
F   1
  1     12.6530000              1.0000000        
F   1
  1     38.7370000              1.0000000        
G   1
  1     14.8860000              1.0000000        


name: cc-pwCV5Z Tight
description: 4T Tight Functions
elt: F
data:
FLUORINE
S   1
  1     16.2490000              1.0000000        
S   1
  1     35.0330000              1.0000000        
S   1
  1     75.5310000              1.0000000        
S   1
  1    162.8450000              1.0000000        
P   1
  1     14.5470000              1.0000000        
P   1
  1     35.3800000              1.0000000        
P   1
  1     86.0510000              1.0000000        
P   1
  1    209.2930000              1.0000000        
D   1
  1     18.3330000              1.0000000        
D   1
  1     47.6340000              1.0000000        
D   1
  1    123.7710000              1.0000000        
F   1
  1     16.6460000              1.0000000        
F   1
  1     49.4130000              1.0000000        
G   1
  1     19.6090000              1.0000000        


name: cc-pwCV5Z Tight
description: 4T Tight Functions
elt: Ne
data:
NEON
S   1
  1     19.8560000              1.0000000        
S   1
  1     42.5410000              1.0000000        
S   1
  1     91.1390000              1.0000000        
S   1
  1    195.2560000              1.0000000        
P   1
  1     18.0930000              1.0000000        
P   1
  1     43.4690000              1.0000000        
P   1
  1    104.4380000              1.0000000        
P   1
  1    250.9190000              1.0000000        
D   1
  1     23.1150000              1.0000000        
D   1
  1     58.9830000              1.0000000        
D   1
  1    150.5080000              1.0000000        
F   1
  1     21.4600000              1.0000000        
F   1
  1     62.3680000              1.0000000        
G   1
  1     24.9730000              1.0000000        


name: cc-pwCV5Z Tight
description: 4T Tight Functions
elt: Al
data:
ALUMINUM
D   1
  1      2.5890000              1.0000000        
D   1
  1      5.4360000              1.0000000        
D   1
  1     11.4150000              1.0000000        
D   1
  1     23.9730000              1.0000000        
F   1
  1      1.5020000              1.0000000        
F   1
  1      3.9740000              1.0000000        
F   1
  1     10.5130000              1.0000000        
G   1
  1      1.7460000              1.0000000        
G   1
  1      9.0060000              1.0000000        
H   1
  1      1.8300000              1.0000000        


name: cc-pwCV5Z Tight
description: 4T Tight Functions
elt: Si
data:
SILICON
D   1
  1      2.7340000              1.0000000        
D   1
  1      6.0570000              1.0000000        
D   1
  1     13.4200000              1.0000000        
D   1
  1     29.7320000              1.0000000        
F   1
  1      1.9450000              1.0000000        
F   1
  1      5.1010000              1.0000000        
F   1
  1     13.3810000              1.0000000        
G   1
  1      2.1610000              1.0000000        
G   1
  1     11.4350000              1.0000000        
H   1
  1      2.2250000              1.0000000        


name: cc-pwCV5Z Tight
description: 4T Tight Functions
elt: P
data:
PHOSPHOROUS
D   1
  1      3.5350000              1.0000000        
D   1
  1      7.7590000              1.0000000        
D   1
  1     17.0310000              1.0000000        
D   1
  1     37.3860000              1.0000000        
F   1
  1      2.5040000              1.0000000        
F   1
  1      6.5270000              1.0000000        
F   1
  1     17.0100000              1.0000000        
G   1
  1      2.6540000              1.0000000        
G   1
  1     14.1340000              1.0000000        
H   1
  1      2.7040000              1.0000000        


name: cc-pwCV5Z Tight
description: 4T Tight Functions
elt: S
data:
SULFUR
D   1
  1      4.4900000              1.0000000        
D   1
  1      9.7130000              1.0000000        
D   1
  1     21.0130000              1.0000000        
D   1
  1     45.4580000              1.0000000        
F   1
  1      2.9980000              1.0000000        
F   1
  1      7.8370000              1.0000000        
F   1
  1     20.4850000              1.0000000        
G   1
  1      3.1540000              1.0000000        
G   1
  1     17.1010000              1.0000000        
H   1
  1      3.2310000              1.0000000        


name: cc-pwCV5Z Tight
description: 4T Tight Functions
elt: Cl
data:
CHLORINE
D   1
  1      5.7310000              1.0000000        
D   1
  1     12.1520000              1.0000000        
D   1
  1     25.7700000              1.0000000        
D   1
  1     54.6490000              1.0000000        
F   1
  1      3.6390000              1.0000000        
F   1
  1      9.4950000              1.0000000        
F   1
  1     24.7740000              1.0000000        
G   1
  1      3.7560000              1.0000000        
G   1
  1     20.3680000              1.0000000        
H   1
  1      3.8360000              1.0000000        


name: cc-pwCV5Z Tight
description: 4T Tight Functions
elt: Ar
data:
ARGON
D   1
  1      6.2510000              1.0000000        
D   1
  1     13.5750000              1.0000000        
D   1
  1     29.4820000              1.0000000        
D   1
  1     64.0290000              1.0000000        
F   1
  1      4.4170000              1.0000000        
F   1
  1     11.4600000              1.0000000        
F   1
  1     29.7360000              1.0000000        
G   1
  1      4.4270000              1.0000000        
G   1
  1     23.9030000              1.0000000        
H   1
  1      4.5180000              1.0000000        


name: cc-pwCV5Z-DK
description: 5Z4P All-electron Douglas-Kroll Core-Valence Quintuple Zeta + Polarization
elt: Sc
data:
SCANDIUM
S   27
  1      1.19495E+08            5.919535E-06     
  2      2.14992E+07            1.431359E-05     
  3      4.80703E+06            4.104556E-05     
  4      1.28440E+06            9.797419E-05     
  5 396595.0000000              0.0002223775     
  6 137575.0000000              0.0004796213     
  7  52366.8000000              0.001020521      
  8  21454.9000000              0.002175114      
  9   9316.0600000              0.004713698      
 10   4235.4000000              0.01036927       
 11   1997.4400000              0.02281143       
 12    970.4300000              0.04868009       
 13    483.2710000              0.09694442       
 14    245.8060000              0.1706005        
 15    127.3600000              0.2430080        
 16     67.0788000              0.2384914        
 17     35.8371000              0.1288846        
 18     19.3713000              0.05207441       
 19     10.5571000              0.08763543       
 20      5.7724900              0.1099903        
 21      3.1454000              0.05080978       
 22      1.6924900              0.006520852      
 23      0.8886490              0.0003956125     
 24      0.4710930             -6.181459E-05     
 25      0.2492860              1.254106E-05     
 26      0.0999880             -4.361028E-06     
 27      0.0463690              1.0567E-05       
S   27
  1      1.19495E+08           -3.393072E-06     
  2      2.14992E+07           -8.205121E-06     
  3      4.80703E+06           -2.353144E-05     
  4      1.28440E+06           -5.618118E-05     
  5 396595.0000000             -0.0001275595     
  6 137575.0000000             -0.0002752891     
  7  52366.8000000             -0.0005862466     
  8  21454.9000000             -0.001251553      
  9   9316.0600000             -0.002718589      
 10   4235.4000000             -0.006008769      
 11   1997.4400000             -0.01332407       
 12    970.4300000             -0.02890036       
 13    483.2710000             -0.05930942       
 14    245.8060000             -0.1107930        
 15    127.3600000             -0.1770984        
 16     67.0788000             -0.2162084        
 17     35.8371000             -0.1469435        
 18     19.3713000              0.0639645        
 19     10.5571000              0.3580420        
 20      5.7724900              0.4634064        
 21      3.1454000              0.2146780        
 22      1.6924900              0.02748374       
 23      0.8886490              0.0005229658     
 24      0.4710930             -0.0009373147     
 25      0.2492860             -0.0001398211     
 26      0.0999880             -1.123025E-05     
 27      0.0463690              3.671184E-05     
S   27
  1      1.19495E+08            6.682412E-07     
  2      2.14992E+07            1.616043E-06     
  3      4.80703E+06            4.635062E-06     
  4      1.28440E+06            1.106844E-05     
  5 396595.0000000              2.513795E-05     
  6 137575.0000000              5.42814E-05      
  7  52366.8000000              0.0001156787     
  8  21454.9000000              0.0002473236     
  9   9316.0600000              0.0005382997     
 10   4235.4000000              0.001194793      
 11   1997.4400000              0.002667407      
 12    970.4300000              0.005866852      
 13    483.2710000              0.01233989       
 14    245.8060000              0.02414443       
 15    127.3600000              0.04178974       
 16     67.0788000              0.05780505       
 17     35.8371000              0.04408753       
 18     19.3713000             -0.03163457       
 19     10.5571000             -0.1852648        
 20      5.7724900             -0.3507145        
 21      3.1454000             -0.2250703        
 22      1.6924900              0.2361473        
 23      0.8886490              0.5771120        
 24      0.4710930              0.3995942        
 25      0.2492860              0.08198503       
 26      0.0999880              0.003786216      
 27      0.0463690              0.00181512       
S   27
  1      1.19495E+08           -1.614274E-07     
  2      2.14992E+07           -3.903897E-07     
  3      4.80703E+06           -1.119695E-06     
  4      1.28440E+06           -2.673836E-06     
  5 396595.0000000             -6.072575E-06     
  6 137575.0000000             -1.311331E-05     
  7  52366.8000000             -2.794401E-05     
  8  21454.9000000             -5.975343E-05     
  9   9316.0600000             -0.0001300308     
 10   4235.4000000             -0.0002887116     
 11   1997.4400000             -0.0006443642     
 12    970.4300000             -0.001418217      
 13    483.2710000             -0.002982216      
 14    245.8060000             -0.005843726      
 15    127.3600000             -0.01011922       
 16     67.0788000             -0.01406049       
 17     35.8371000             -0.01073321       
 18     19.3713000              0.007697945      
 19     10.5571000              0.04671812       
 20      5.7724900              0.09236543       
 21      3.1454000              0.0606934        
 22      1.6924900             -0.07517223       
 23      0.8886490             -0.1934620        
 24      0.4710930             -0.2389696        
 25      0.2492860             -0.1062082        
 26      0.0999880              0.3515695        
 27      0.0463690              0.6241271        
S   27
  1      1.19495E+08            2.812987E-07     
  2      2.14992E+07            6.804514E-07     
  3      4.80703E+06            1.950692E-06     
  4      1.28440E+06            4.662709E-06     
  5 396595.0000000              1.056941E-05     
  6 137575.0000000              2.290727E-05     
  7  52366.8000000              4.849852E-05     
  8  21454.9000000              0.0001048147     
  9   9316.0600000              0.000224504      
 10   4235.4000000              0.0005093451     
 11   1997.4400000              0.001106294      
 12    970.4300000              0.002516249      
 13    483.2710000              0.005091015      
 14    245.8060000              0.01045914       
 15    127.3600000              0.0170637        
 16     67.0788000              0.02597877       
 17     35.8371000              0.01587703       
 18     19.3713000             -0.007290353      
 19     10.5571000             -0.09570927       
 20      5.7724900             -0.1484969        
 21      3.1454000             -0.1520052        
 22      1.6924900              0.2384846        
 23      0.8886490              0.3501435        
 24      0.4710930              0.7548168        
 25      0.2492860             -0.8094605        
 26      0.0999880             -1.4805040        
 27      0.0463690              0.7689142        
S   27
  1      1.19495E+08           -4.312322E-07     
  2      2.14992E+07           -1.043095E-06     
  3      4.80703E+06           -2.990538E-06     
  4      1.28440E+06           -7.147204E-06     
  5 396595.0000000             -1.620618E-05     
  6 137575.0000000             -3.510428E-05     
  7  52366.8000000             -7.439904E-05     
  8  21454.9000000             -0.0001605264     
  9   9316.0600000             -0.00034471       
 10   4235.4000000             -0.0007794742     
 11   1997.4400000             -0.001700679      
 12    970.4300000             -0.003848994      
 13    483.2710000             -0.007841304      
 14    245.8060000             -0.01600342       
 15    127.3600000             -0.02642693       
 16     67.0788000             -0.0397741        
 17     35.8371000             -0.02549301       
 18     19.3713000              0.0129649        
 19     10.5571000              0.1497257        
 20      5.7724900              0.2670537        
 21      3.1454000              0.2379641        
 22      1.6924900             -0.5490284        
 23      0.8886490             -1.0568440        
 24      0.4710930             -0.1164882        
 25      0.2492860              2.7444610        
 26      0.0999880             -1.4562880        
 27      0.0463690             -1.5228980        
S   27
  1      1.19495E+08           -4.876401E-07     
  2      2.14992E+07           -1.177921E-06     
  3      4.80703E+06           -3.38614E-06      
  4      1.28440E+06           -8.050139E-06     
  5 396595.0000000             -1.844652E-05     
  6 137575.0000000             -3.916005E-05     
  7  52366.8000000             -8.601642E-05     
  8  21454.9000000             -0.0001749806     
  9   9316.0600000             -0.0004098121     
 10   4235.4000000             -0.000822644      
 11   1997.4400000             -0.002082943      
 12    970.4300000             -0.003935527      
 13    483.2710000             -0.009907611      
 14    245.8060000             -0.01561908       
 15    127.3600000             -0.03578066       
 16     67.0788000             -0.0322496        
 17     35.8371000             -0.05745036       
 18     19.3713000              0.06918013       
 19     10.5571000              0.06434433       
 20      5.7724900              0.5933674        
 21      3.1454000             -0.1545044        
 22      1.6924900             -0.3050918        
 23      0.8886490             -2.9817180        
 24      0.4710930              4.9770390        
 25      0.2492860             -1.0825320        
 26      0.0999880             -4.2115770        
 27      0.0463690              5.6433950        
S   27
  1      1.19495E+08            7.519349E-07     
  2      2.14992E+07            1.820755E-06     
  3      4.80703E+06            5.209344E-06     
  4      1.28440E+06            1.250064E-05     
  5 396595.0000000              2.812046E-05     
  6 137575.0000000              6.183087E-05     
  7  52366.8000000              0.0001276431     
  8  21454.9000000              0.0002872        
  9   9316.0600000              0.0005798599     
 10   4235.4000000              0.001423352      
 11   1997.4400000              0.002800518      
 12    970.4300000              0.007178441      
 13    483.2710000              0.01264813       
 14    245.8060000              0.03086293       
 15    127.3600000              0.04074745       
 16     67.0788000              0.08547422       
 17     35.8371000              0.01756683       
 18     19.3713000              0.03153591       
 19     10.5571000             -0.4357717        
 20      5.7724900             -0.5492452        
 21      3.1454000             -0.4585412        
 22      1.6924900              4.1915080        
 23      0.8886490             -2.5292380        
 24      0.4710930             -5.4200720        
 25      0.2492860              9.3856740        
 26      0.0999880             -8.5529250        
 27      0.0463690              6.2316380        
S   1
  1      0.0216060              1.0000000        
S   1
  1      4.3955000              1.0000000        
S   1
  1      1.1564000              1.0000000        
P   19
  1  55070.5000000              0.0000140        
  2  13741.7000000              0.0000480        
  3   4365.4000000              0.0002020        
  4   1642.2600000              0.0007550        
  5    694.0660000              0.0026780        
  6    317.7420000              0.0085560        
  7    153.8990000              0.0245140        
  8     77.7665000              0.0617000        
  9     40.6736000              0.1309760        
 10     21.9061000              0.2216990        
 11     12.0795000              0.2929820        
 12      6.7534900              0.2755820        
 13      3.7632100              0.1467940        
 14      2.0497300              0.0316730        
 15      1.0864500              0.0001230        
 16      0.5640870             -0.0016080        
 17      0.2810200             -0.0008200        
 18      0.1214320             -0.0000640        
 19      0.0533450             -0.0000110        
P   19
  1  55070.5000000             -0.0000050        
  2  13741.7000000             -0.0000160        
  3   4365.4000000             -0.0000660        
  4   1642.2600000             -0.0002480        
  5    694.0660000             -0.0008820        
  6    317.7420000             -0.0028300        
  7    153.8990000             -0.0081890        
  8     77.7665000             -0.0209720        
  9     40.6736000             -0.0457600        
 10     21.9061000             -0.0797890        
 11     12.0795000             -0.1104030        
 12      6.7534900             -0.1073290        
 13      3.7632100              0.0005330        
 14      2.0497300              0.2185950        
 15      1.0864500              0.3923630        
 16      0.5640870              0.3629300        
 17      0.2810200              0.1490230        
 18      0.1214320              0.0150900        
 19      0.0533450              0.0005720        
P   19
  1  55070.5000000             -0.0000010        
  2  13741.7000000             -0.0000040        
  3   4365.4000000             -0.0000160        
  4   1642.2600000             -0.0000600        
  5    694.0660000             -0.0002160        
  6    317.7420000             -0.0006880        
  7    153.8990000             -0.0020050        
  8     77.7665000             -0.0051070        
  9     40.6736000             -0.0112560        
 10     21.9061000             -0.0194870        
 11     12.0795000             -0.0275520        
 12      6.7534900             -0.0261990        
 13      3.7632100              0.0018280        
 14      2.0497300              0.0650400        
 15      1.0864500              0.1153720        
 16      0.5640870              0.1375210        
 17      0.2810200             -0.0077520        
 18      0.1214320             -0.3617510        
 19      0.0533450             -0.5419820        
P   19
  1  55070.5000000              0.0000010        
  2  13741.7000000              0.0000050        
  3   4365.4000000              0.0000200        
  4   1642.2600000              0.0000740        
  5    694.0660000              0.0002620        
  6    317.7420000              0.0008430        
  7    153.8990000              0.0024310        
  8     77.7665000              0.0062550        
  9     40.6736000              0.0136160        
 10     21.9061000              0.0239330        
 11     12.0795000              0.0330500        
 12      6.7534900              0.0328270        
 13      3.7632100             -0.0025620        
 14      2.0497300             -0.0748050        
 15      1.0864500             -0.1376450        
 16      0.5640870             -0.1704280        
 17      0.2810200             -0.0478640        
 18      0.1214320              0.5835210        
 19      0.0533450              0.5151680        
P   19
  1  55070.5000000              0.0000030        
  2  13741.7000000              0.0000090        
  3   4365.4000000              0.0000410        
  4   1642.2600000              0.0001420        
  5    694.0660000              0.0005460        
  6    317.7420000              0.0016140        
  7    153.8990000              0.0050860        
  8     77.7665000              0.0118990        
  9     40.6736000              0.0287890        
 10     21.9061000              0.0441380        
 11     12.0795000              0.0761020        
 12      6.7534900              0.0560570        
 13      3.7632100              0.0243250        
 14      2.0497300             -0.2171150        
 15      1.0864500             -0.3703350        
 16      0.5640870             -0.4435200        
 17      0.2810200              1.2379380        
 18      0.1214320              0.4129960        
 19      0.0533450             -0.9400080        
P   19
  1  55070.5000000             -0.0000030        
  2  13741.7000000             -0.0000120        
  3   4365.4000000             -0.0000410        
  4   1642.2600000             -0.0002080        
  5    694.0660000             -0.0005200        
  6    317.7420000             -0.0024110        
  7    153.8990000             -0.0047120        
  8     77.7665000             -0.0181750        
  9     40.6736000             -0.0243790        
 10     21.9061000             -0.0766640        
 11     12.0795000             -0.0436370        
 12      6.7534900             -0.1925250        
 13      3.7632100              0.1326390        
 14      2.0497300              0.1135500        
 15      1.0864500              1.3669040        
 16      0.5640870             -1.5617250        
 17      0.2810200             -0.8936100        
 18      0.1214320              2.2910790        
 19      0.0533450             -1.2338460        
P   19
  1  55070.5000000             -0.0000050        
  2  13741.7000000             -0.0000160        
  3   4365.4000000             -0.0000700        
  4   1642.2600000             -0.0002610        
  5    694.0660000             -0.0009290        
  6    317.7420000             -0.0029870        
  7    153.8990000             -0.0086890        
  8     77.7665000             -0.0225240        
  9     40.6736000             -0.0494670        
 10     21.9061000             -0.0860160        
 11     12.0795000             -0.1162080        
 12      6.7534900             -0.1761440        
 13      3.7632100              0.0102780        
 14      2.0497300              1.2619260        
 15      1.0864500              0.2599850        
 16      0.5640870             -3.7739520        
 17      0.2810200              4.5043640        
 18      0.1214320             -2.6297080        
 19      0.0533450              0.5247230        
P   1
  1      0.0231430              1.0000000        
P   1
  1      5.1300000              1.0000000        
P   1
  1      1.2315000              1.0000000        
D   11
  1    206.8490000              0.0002450        
  2     60.9977000              0.0021780        
  3     23.3085000              0.0108150        
  4      9.9288100              0.0355520        
  5      4.4867000              0.0918530        
  6      2.1263200              0.1773870        
  7      1.0200800              0.2535140        
  8      0.4853730              0.2911880        
  9      0.2271980              0.2739590        
 10      0.1042040              0.1939380        
 11      0.0468350              0.0750160        
D   11
  1    206.8490000             -0.0002520        
  2     60.9977000             -0.0022360        
  3     23.3085000             -0.0111280        
  4      9.9288100             -0.0368300        
  5      4.4867000             -0.0965200        
  6      2.1263200             -0.1818110        
  7      1.0200800             -0.2453530        
  8      0.4853730             -0.2113190        
  9      0.2271980              0.0933260        
 10      0.1042040              0.4634600        
 11      0.0468350              0.3871780        
D   11
  1    206.8490000             -0.0003270        
  2     60.9977000             -0.0028490        
  3     23.3085000             -0.0145650        
  4      9.9288100             -0.0472320        
  5      4.4867000             -0.1264930        
  6      2.1263200             -0.2349220        
  7      1.0200800             -0.2844630        
  8      0.4853730              0.0738220        
  9      0.2271980              0.7433150        
 10      0.1042040              0.1237380        
 11      0.0468350             -0.6748410        
D   11
  1    206.8490000             -0.0004720        
  2     60.9977000             -0.0038040        
  3     23.3085000             -0.0209510        
  4      9.9288100             -0.0644210        
  5      4.4867000             -0.1927550        
  6      2.1263200             -0.3074170        
  7      1.0200800             -0.2835280        
  8      0.4853730              1.0750720        
  9      0.2271980              0.0383790        
 10      0.1042040             -1.2564750        
 11      0.0468350              0.7662620        
D   11
  1    206.8490000             -0.0005390        
  2     60.9977000             -0.0068390        
  3     23.3085000             -0.0259800        
  4      9.9288100             -0.1209740        
  5      4.4867000             -0.2394840        
  6      2.1263200             -0.6282700        
  7      1.0200800              0.9521130        
  8      0.4853730              0.6713530        
  9      0.2271980             -2.1441440        
 10      0.1042040              1.9275440        
 11      0.0468350             -0.6275630        
D   1
  1      0.0202590              1.0000000        
D   1
  1      2.6491000              1.0000000        
D   1
  1      1.4102000              1.0000000        
F   1
  1      3.5989000              1.0000000        
F   1
  1      1.5145000              1.0000000        
F   1
  1      0.6373000              1.0000000        
F   1
  1      0.2682000              1.0000000        
F   1
  1      0.0809000              1.0000000        
G   1
  1      3.1618000              1.0000000        
G   1
  1      1.3736000              1.0000000        
G   1
  1      0.5968000              1.0000000        
G   1
  1      0.1711000              1.0000000        
H   1
  1      2.9441000              1.0000000        
H   1
  1      1.1635000              1.0000000        
H   1
  1      0.3290000              1.0000000        
I   1
  1      3.1150000              1.0000000        
I   1
  1      1.1682000              1.0000000        


name: cc-pwCV5Z-DK
description: 5Z4P All-electron Douglas-Kroll Core-Valence Quintuple Zeta + Polarization
elt: Ti
data:
TITANIUM
S   27
  1      1.22647E+08            6.653555E-06     
  2      2.19562E+07            1.613946E-05     
  3      4.90233E+06            4.614898E-05     
  4      1.31060E+06            0.0001098321     
  5 405228.0000000              0.0002484956     
  6 140757.0000000              0.0005342847     
  7  53625.1000000              0.001133562      
  8  21976.2000000              0.0024093        
  9   9539.6000000              0.005206248      
 10   4334.3700000              0.01141582       
 11   2042.8900000              0.02500563       
 12    992.3080000              0.05299834       
 13    494.4460000              0.1043003        
 14    251.9070000              0.1799215        
 15    130.9050000              0.2478886        
 16     69.2368000              0.2308955        
 17     37.1847000              0.1171295        
 18     20.2157000              0.05130277       
 19     11.0765000              0.09090767       
 20      6.0786700              0.1038986        
 21      3.3127700              0.04277212       
 22      1.7725000              0.004698514      
 23      0.9173780              0.0002635682     
 24      0.4692830             -6.454181E-05     
 25      0.2192670              1.082874E-05     
 26      0.1058110              8.421612E-08     
 27      0.0484430              1.563308E-05     
S   27
  1      1.22647E+08           -3.777645E-06     
  2      2.19562E+07           -9.164102E-06     
  3      4.90233E+06           -2.620684E-05     
  4      1.31060E+06           -6.238605E-05     
  5 405228.0000000             -0.0001412011     
  6 140757.0000000             -0.0003037954     
  7  53625.1000000             -0.0006451652     
  8  21976.2000000             -0.001373651      
  9   9539.6000000             -0.002976146      
 10   4334.3700000             -0.006559216      
 11   2042.8900000             -0.01449461       
 12    992.3080000             -0.03126791       
 13    494.4460000             -0.06359677       
 14    251.9070000             -0.1170675        
 15    130.9050000             -0.1828196        
 16     69.2368000             -0.2142700        
 17     37.1847000             -0.1312221        
 18     20.2157000              0.09218944       
 19     11.0765000              0.3859538        
 20      6.0786700              0.4515632        
 21      3.3127700              0.1862977        
 22      1.7725000              0.02023129       
 23      0.9173780             -6.633534E-05     
 24      0.4692830             -0.0008927498     
 25      0.2192670             -6.197787E-05     
 26      0.1058110              1.790704E-05     
 27      0.0484430              5.846808E-05     
S   27
  1      1.22647E+08            7.674459E-07     
  2      2.19562E+07            1.861863E-06     
  3      4.90233E+06            5.324913E-06     
  4      1.31060E+06            1.2679E-05       
  5 405228.0000000              2.870495E-05     
  6 140757.0000000              6.179898E-05     
  7  53625.1000000              0.0001313324     
  8  21976.2000000              0.000280105      
  9   9539.6000000              0.0006080523     
 10   4334.3700000              0.001346488      
 11   2042.8900000              0.002996038      
 12    992.3080000              0.006562148      
 13    494.4460000              0.01369205       
 14    251.9070000              0.02648196       
 15    130.9050000              0.0448890        
 16     69.2368000              0.05976643       
 17     37.1847000              0.04031555       
 18     20.2157000             -0.0441235        
 19     11.0765000             -0.2114728        
 20      6.0786700             -0.3640708        
 21      3.3127700             -0.1847230        
 22      1.7725000              0.3081164        
 23      0.9173780              0.6066013        
 24      0.4692830              0.3468082        
 25      0.2192670              0.04058903       
 26      0.1058110             -0.000391043      
 27      0.0484430              0.002501968      
S   27
  1      1.22647E+08           -1.819398E-07     
  2      2.19562E+07           -4.41398E-07      
  3      4.90233E+06           -1.262383E-06     
  4      1.31060E+06           -3.005895E-06     
  5 405228.0000000             -6.805029E-06     
  6 140757.0000000             -1.465182E-05     
  7  53625.1000000             -3.113348E-05     
  8  21976.2000000             -6.641746E-05     
  9   9539.6000000             -0.0001441365     
 10   4334.3700000             -0.000319341      
 11   2042.8900000             -0.0007102401     
 12    992.3080000             -0.001557001      
 13    494.4460000             -0.003247483      
 14    251.9070000             -0.006292418      
 15    130.9050000             -0.01067067       
 16     69.2368000             -0.01428281       
 17     37.1847000             -0.009632094      
 18     20.2157000              0.0105720        
 19     11.0765000              0.05267722       
 20      6.0786700              0.09469896       
 21      3.3127700              0.04838713       
 22      1.7725000             -0.09536682       
 23      0.9173780             -0.2116255        
 24      0.4692830             -0.2381936        
 25      0.2192670             -0.05246589       
 26      0.1058110              0.3869866        
 27      0.0484430              0.6037621        
S   27
  1      1.22647E+08            3.399465E-07     
  2      2.19562E+07            8.247278E-07     
  3      4.90233E+06            2.358728E-06     
  4      1.31060E+06            5.616301E-06     
  5 405228.0000000              1.271542E-05     
  6 140757.0000000              2.737492E-05     
  7  53625.1000000              5.817942E-05     
  8  21976.2000000              0.0001240819     
  9   9539.6000000              0.0002693998     
 10   4334.3700000              0.000596555      
 11   2042.8900000              0.001327899      
 12    992.3080000              0.00290901       
 13    494.4460000              0.006076074      
 14    251.9070000              0.01176603       
 15    130.9050000              0.02001317       
 16     69.2368000              0.02677974       
 17     37.1847000              0.01826065       
 18     20.2157000             -0.02007811       
 19     11.0765000             -0.1014260        
 20      6.0786700             -0.1911626        
 21      3.3127700             -0.09195848       
 22      1.7725000              0.2382647        
 23      0.9173780              0.5877260        
 24      0.4692830              0.3656232        
 25      0.2192670             -0.9952926        
 26      0.1058110             -1.0629930        
 27      0.0484430              0.7767954        
S   27
  1      1.22647E+08           -5.165097E-07     
  2      2.19562E+07           -1.252882E-06     
  3      4.90233E+06           -3.58436E-06      
  4      1.31060E+06           -8.529531E-06     
  5 405228.0000000             -1.933437E-05     
  6 140757.0000000             -4.152977E-05     
  7  53625.1000000             -8.86271E-05      
  8  21976.2000000             -0.0001877584     
  9   9539.6000000             -0.0004117762     
 10   4334.3700000             -0.0008995392     
 11   2042.8900000             -0.00203764       
 12    992.3080000             -0.004372593      
 13    494.4460000             -0.009371418      
 14    251.9070000             -0.01761793       
 15    130.9050000             -0.03127669       
 16     69.2368000             -0.0394600        
 17     37.1847000             -0.03164837       
 18     20.2157000              0.03808886       
 19     11.0765000              0.1502097        
 20      6.0786700              0.3568484        
 21      3.3127700              0.09579577       
 22      1.7725000             -0.5931501        
 23      0.9173780             -1.4029870        
 24      0.4692830              1.2948550        
 25      0.2192670              2.1050350        
 26      0.1058110             -2.3454890        
 27      0.0484430             -0.6659030        
S   27
  1      1.22647E+08           -6.130654E-07     
  2      2.19562E+07           -1.486934E-06     
  3      4.90233E+06           -4.254847E-06     
  4      1.31060E+06           -1.0121E-05       
  5 405228.0000000             -2.296105E-05     
  6 140757.0000000             -4.924078E-05     
  7  53625.1000000             -0.0001053951     
  8  21976.2000000             -0.0002221924     
  9   9539.6000000             -0.0004909744     
 10   4334.3700000             -0.001061652      
 11   2042.8900000             -0.002437073      
 12    992.3080000             -0.005148493      
 13    494.4460000             -0.01125485       
 14    251.9070000             -0.02070111       
 15    130.9050000             -0.03801176       
 16     69.2368000             -0.0460026        
 17     37.1847000             -0.04154012       
 18     20.2157000              0.0487637        
 19     11.0765000              0.1925955        
 20      6.0786700              0.5435896        
 21      3.3127700             -0.05407633       
 22      1.7725000             -1.3033880        
 23      0.9173780             -1.3684980        
 24      0.4692830              4.8530280        
 25      0.2192670             -3.2762980        
 26      0.1058110             -1.5668410        
 27      0.0484430              4.2040350        
S   27
  1      1.22647E+08           -8.549962E-07     
  2      2.19562E+07           -2.079199E-06     
  3      4.90233E+06           -5.919144E-06     
  4      1.31060E+06           -1.422274E-05     
  5 405228.0000000             -3.162293E-05     
  6 140757.0000000             -7.045952E-05     
  7  53625.1000000             -0.0001407958     
  8  21976.2000000             -0.0003314919     
  9   9539.6000000             -0.0006194799     
 10   4334.3700000             -0.001674815      
 11   2042.8900000             -0.002880831      
 12    992.3080000             -0.008576546      
 13    494.4460000             -0.01234665       
 14    251.9070000             -0.03746245       
 15    130.9050000             -0.03433454       
 16     69.2368000             -0.1097497        
 17     37.1847000              0.03447519       
 18     20.2157000             -0.1133770        
 19     11.0765000              0.6927722        
 20      6.0786700              0.3005719        
 21      3.3127700              0.4990677        
 22      1.7725000             -5.4080910        
 23      0.9173780              7.0117810        
 24      0.4692830             -1.6041680        
 25      0.2192670             -5.4763320        
 26      0.1058110              8.3958070        
 27      0.0484430             -6.4227320        
S   1
  1      0.0225350              1.0000000        
S   1
  1      4.2553000              1.0000000        
S   1
  1      1.2538000              1.0000000        
P   19
  1  59284.9000000              0.0000160        
  2  14323.6000000              0.0000550        
  3   4537.2200000              0.0002280        
  4   1726.5400000              0.0008230        
  5    741.0750000              0.0028250        
  6    343.8070000              0.0088340        
  7    167.8840000              0.0251330        
  8     85.0394000              0.0634540        
  9     44.3829000              0.1354900        
 10     23.7928000              0.2297170        
 11     13.0536000              0.3000430        
 12      7.2687200              0.2708810        
 13      4.0380500              0.1339910        
 14      2.1929400              0.0256630        
 15      1.1616200             -0.0004750        
 16      0.6032500             -0.0015650        
 17      0.3001740             -0.0006970        
 18      0.1301310             -0.0000450        
 19      0.0572230             -0.0000100        
P   19
  1  59284.9000000             -0.0000050        
  2  14323.6000000             -0.0000180        
  3   4537.2200000             -0.0000760        
  4   1726.5400000             -0.0002760        
  5    741.0750000             -0.0009510        
  6    343.8070000             -0.0029880        
  7    167.8840000             -0.0085890        
  8     85.0394000             -0.0220780        
  9     44.3829000             -0.0485130        
 10     23.7928000             -0.0848740        
 11     13.0536000             -0.1165050        
 12      7.2687200             -0.1060460        
 13      4.0380500              0.0208230        
 14      2.1929400              0.2474250        
 15      1.1616200              0.4015100        
 16      0.6032500              0.3401570        
 17      0.3001740              0.1258060        
 18      0.1301310              0.0112720        
 19      0.0572230              0.0006720        
P   19
  1  59284.9000000              0.0000010        
  2  14323.6000000              0.0000040        
  3   4537.2200000              0.0000180        
  4   1726.5400000              0.0000660        
  5    741.0750000              0.0002290        
  6    343.8070000              0.0007140        
  7    167.8840000              0.0020690        
  8     85.0394000              0.0052890        
  9     44.3829000              0.0117380        
 10     23.7928000              0.0203950        
 11     13.0536000              0.0286140        
 12      7.2687200              0.0253940        
 13      4.0380500             -0.0070940        
 14      2.1929400             -0.0720970        
 15      1.1616200             -0.1181340        
 16      0.6032500             -0.1292760        
 17      0.3001740              0.0315740        
 18      0.1301310              0.3785710        
 19      0.0572230              0.5269710        
P   19
  1  59284.9000000              0.0000020        
  2  14323.6000000              0.0000060        
  3   4537.2200000              0.0000230        
  4   1726.5400000              0.0000830        
  5    741.0750000              0.0002880        
  6    343.8070000              0.0008990        
  7    167.8840000              0.0026000        
  8     85.0394000              0.0066510        
  9     44.3829000              0.0147430        
 10     23.7928000              0.0256560        
 11     13.0536000              0.0359060        
 12      7.2687200              0.0320880        
 13      4.0380500             -0.0081700        
 14      2.1929400             -0.0887810        
 15      1.1616200             -0.1438960        
 16      0.6032500             -0.1737260        
 17      0.3001740              0.0151180        
 18      0.1301310              0.6060130        
 19      0.0572230              0.4639250        
P   19
  1  59284.9000000              0.0000030        
  2  14323.6000000              0.0000110        
  3   4537.2200000              0.0000460        
  4   1726.5400000              0.0001590        
  5    741.0750000              0.0005830        
  6    343.8070000              0.0017100        
  7    167.8840000              0.0052750        
  8     85.0394000              0.0126190        
  9     44.3829000              0.0300870        
 10     23.7928000              0.0478170        
 11     13.0536000              0.0780840        
 12      7.2687200              0.0572690        
 13      4.0380500              0.0042350        
 14      2.1929400             -0.2405920        
 15      1.1616200             -0.3988240        
 16      0.6032500             -0.3071790        
 17      0.3001740              1.2623310        
 18      0.1301310              0.2556860        
 19      0.0572230             -0.8992420        
P   19
  1  59284.9000000              0.0000040        
  2  14323.6000000              0.0000150        
  3   4537.2200000              0.0000510        
  4   1726.5400000              0.0002320        
  5    741.0750000              0.0006090        
  6    343.8070000              0.0025490        
  7    167.8840000              0.0054260        
  8     85.0394000              0.0189510        
  9     44.3829000              0.0294070        
 10     23.7928000              0.0786330        
 11     13.0536000              0.0601470        
 12      7.2687200              0.1842020        
 13      4.0380500             -0.1207450        
 14      2.1929400             -0.3032660        
 15      1.1616200             -1.2402470        
 16      0.6032500              1.9464230        
 17      0.3001740              0.3010090        
 18      0.1301310             -1.9812890        
 19      0.0572230              1.1972360        
P   19
  1  59284.9000000             -0.0000060        
  2  14323.6000000             -0.0000180        
  3   4537.2200000             -0.0000810        
  4   1726.5400000             -0.0002690        
  5    741.0750000             -0.0010210        
  6    343.8070000             -0.0028930        
  7    167.8840000             -0.0093000        
  8     85.0394000             -0.0215640        
  9     44.3829000             -0.0538970        
 10     23.7928000             -0.0809110        
 11     13.0536000             -0.1385590        
 12      7.2687200             -0.1746190        
 13      4.0380500              0.0897820        
 14      2.1929400              1.4800170        
 15      1.1616200             -0.5900780        
 16      0.6032500             -2.8885950        
 17      0.3001740              4.2554030        
 18      0.1301310             -2.8758510        
 19      0.0572230              0.8101380        
P   1
  1      0.0249100              1.0000000        
P   1
  1      5.7813000              1.0000000        
P   1
  1      1.6500000              1.0000000        
D   11
  1    261.2460000              0.0002210        
  2     77.4454000              0.0019730        
  3     29.6879000              0.0101400        
  4     12.7642000              0.0343140        
  5      5.8299200              0.0898200        
  6      2.7978300              0.1779610        
  7      1.3638300              0.2593050        
  8      0.6600370              0.2967420        
  9      0.3136990              0.2697420        
 10      0.1449780              0.1799180        
 11      0.0647720              0.0669950        
D   11
  1    261.2460000             -0.0002250        
  2     77.4454000             -0.0020120        
  3     29.6879000             -0.0103650        
  4     12.7642000             -0.0353510        
  5      5.8299200             -0.0943990        
  6      2.7978300             -0.1831950        
  7      1.3638300             -0.2438690        
  8      0.6600370             -0.1915460        
  9      0.3136990              0.1086070        
 10      0.1449780              0.4574300        
 11      0.0647720              0.3913590        
D   11
  1    261.2460000             -0.0003590        
  2     77.4454000             -0.0031940        
  3     29.6879000             -0.0167290        
  4     12.7642000             -0.0574460        
  5      5.8299200             -0.1579450        
  6      2.7978300             -0.2878870        
  7      1.3638300             -0.2743220        
  8      0.6600370              0.1968330        
  9      0.3136990              0.6962870        
 10      0.1449780              0.0262030        
 11      0.0647720             -0.6014690        
D   11
  1    261.2460000              0.0004330        
  2     77.4454000              0.0036220        
  3     29.6879000              0.0201220        
  4     12.7642000              0.0664280        
  5      5.8299200              0.2041410        
  6      2.7978300              0.3220550        
  7      1.3638300              0.1271500        
  8      0.6600370             -0.9939100        
  9      0.3136990              0.0726930        
 10      0.1449780              1.1603820        
 11      0.0647720             -0.6995170        
D   11
  1    261.2460000              0.0005540        
  2     77.4454000              0.0061940        
  3     29.6879000              0.0274000        
  4     12.7642000              0.1196640        
  5      5.8299200              0.2918240        
  6      2.7978300              0.5157480        
  7      1.3638300             -0.9398630        
  8      0.6600370             -0.5732200        
  9      0.3136990              1.9949630        
 10      0.1449780             -1.6489450        
 11      0.0647720              0.2848740        
D   1
  1      0.0273760              1.0000000        
D   1
  1      3.4534000              1.0000000        
D   1
  1      1.9445000              1.0000000        
F   1
  1      5.0709000              1.0000000        
F   1
  1      2.1837000              1.0000000        
F   1
  1      0.9404000              1.0000000        
F   1
  1      0.4049000              1.0000000        
F   1
  1      0.1277000              1.0000000        
G   1
  1      4.0100000              1.0000000        
G   1
  1      1.8192000              1.0000000        
G   1
  1      0.8254000              1.0000000        
G   1
  1      0.2544000              1.0000000        
H   1
  1      3.6168000              1.0000000        
H   1
  1      1.5432000              1.0000000        
H   1
  1      0.5044000              1.0000000        
I   1
  1      3.1547000              1.0000000        
I   1
  1      0.9864000              1.0000000        


name: cc-pwCV5Z-DK
description: 5Z4P All-electron Douglas-Kroll Core-Valence Quintuple Zeta + Polarization
elt: V
data:
VANADIUM
S   27
  1      1.28349E+08            7.356705E-06     
  2      2.29044E+07            1.786824E-05     
  3      5.10777E+06            5.098889E-05     
  4      1.36528E+06            0.000121072      
  5 422228.0000000              0.0002732114     
  6 146685.0000000              0.0005857547     
  7  55872.3000000              0.001239105      
  8  22881.3000000              0.002625599      
  9   9920.4500000              0.00565687       
 10   4499.9200000              0.01237143       
 11   2116.7500000              0.02703115       
 12   1026.0600000              0.05709522       
 13    510.2570000              0.1115932        
 14    259.5320000              0.1898393        
 15    134.7090000              0.2543687        
 16     71.2104000              0.2252741        
 17     38.2496000              0.1067044        
 18     20.8102000              0.0511901        
 19     11.4158000              0.09230865       
 20      6.2730200              0.09330965       
 21      3.4217700              0.03315559       
 22      1.8304400              0.003087216      
 23      0.9452350              0.0001488484     
 24      0.4759280             -5.731104E-05     
 25      0.1863810              5.722118E-06     
 26      0.1067680              7.095741E-06     
 27      0.0499790              1.841164E-05     
S   27
  1      1.28349E+08           -4.077497E-06     
  2      2.29044E+07           -9.904408E-06     
  3      5.10777E+06           -2.826701E-05     
  4      1.36528E+06           -6.713697E-05     
  5 422228.0000000             -0.0001515645     
  6 146685.0000000             -0.00032518       
  7  55872.3000000             -0.0006886285     
  8  22881.3000000             -0.00146189       
  9   9920.4500000             -0.00315893       
 10   4499.9200000             -0.006946262      
 11   2116.7500000             -0.01532505       
 12   1026.0600000             -0.03299103       
 13    510.2570000             -0.06684496       
 14    259.5320000             -0.1220202        
 15    134.7090000             -0.1873822        
 16     71.2104000             -0.2113255        
 17     38.2496000             -0.1130379        
 18     20.8102000              0.1277586        
 19     11.4158000              0.4186041        
 20      6.2730200              0.4309142        
 21      3.4217700              0.1532117        
 22      1.8304400              0.0139112        
 23      0.9452350             -0.0005845882     
 24      0.4759280             -0.0007972901     
 25      0.1863810             -5.538211E-05     
 26      0.1067680              6.572664E-05     
 27      0.0499790              7.19369E-05      
S   27
  1      1.28349E+08            8.603915E-07     
  2      2.29044E+07            2.090087E-06     
  3      5.10777E+06            5.965628E-06     
  4      1.36528E+06            1.417245E-05     
  5 422228.0000000              3.200385E-05     
  6 146685.0000000              6.871208E-05     
  7  55872.3000000              0.0001456091     
  8  22881.3000000              0.0003096893     
  9   9920.4500000              0.0006704643     
 10   4499.9200000              0.001481838      
 11   2116.7500000              0.003291939      
 12   1026.0600000              0.007201054      
 13    510.2570000              0.01497543       
 14    259.5320000              0.0287821        
 15    134.7090000              0.04804314       
 16     71.2104000              0.06159329       
 17     38.2496000              0.03536191       
 18     20.8102000             -0.06073828       
 19     11.4158000             -0.2436103        
 20      6.2730200             -0.3702706        
 21      3.4217700             -0.1271151        
 22      1.8304400              0.3751019        
 23      0.9452350              0.6053597        
 24      0.4759280              0.2921984        
 25      0.1863810              0.02433509       
 26      0.1067680             -0.004127538      
 27      0.0499790              0.003018388      
S   27
  1      1.28349E+08           -2.00208E-07      
  2      2.29044E+07           -4.863529E-07     
  3      5.10777E+06           -1.388165E-06     
  4      1.36528E+06           -3.297899E-06     
  5 422228.0000000             -7.447067E-06     
  6 146685.0000000             -1.59897E-05      
  7  55872.3000000             -3.388204E-05     
  8  22881.3000000             -7.20715E-05      
  9   9920.4500000             -0.0001560162     
 10   4499.9200000             -0.0003449014     
 11   2116.7500000             -0.0007661694     
 12   1026.0600000             -0.00167669       
 13    510.2570000             -0.003487904      
 14    259.5320000             -0.006711267      
 15    134.7090000             -0.0112217        
 16     71.2104000             -0.01444379       
 17     38.2496000             -0.00833094       
 18     20.8102000              0.0144271        
 19     11.4158000              0.05982672       
 20      6.2730200              0.09540397       
 21      3.4217700              0.03117879       
 22      1.8304400             -0.1132242        
 23      0.9452350             -0.2210081        
 24      0.4759280             -0.2196576        
 25      0.1863810              0.0003626926     
 26      0.1067680              0.4068028        
 27      0.0499790              0.5697882        
S   27
  1      1.28349E+08           -3.901614E-07     
  2      2.29044E+07           -9.475826E-07     
  3      5.10777E+06           -2.70579E-06      
  4      1.36528E+06           -6.422846E-06     
  5 422228.0000000             -1.452788E-05     
  6 146685.0000000             -3.109393E-05     
  7  55872.3000000             -6.626421E-05     
  8  22881.3000000             -0.0001396479     
  9   9920.4500000             -0.0003065372     
 10   4499.9200000             -0.000664949      
 11   2116.7500000             -0.00151327       
 12   1026.0600000             -0.003216756      
 13    510.2570000             -0.006933933      
 14    259.5320000             -0.01278132       
 15    134.7090000             -0.02268481       
 16     71.2104000             -0.02661842       
 17     38.2496000             -0.02007282       
 18     20.8102000              0.03592281       
 19     11.4158000              0.1069343        
 20      6.2730200              0.2278498        
 21      3.4217700              0.01379761       
 22      1.8304400             -0.2372538        
 23      0.9452350             -0.7484825        
 24      0.4759280              0.02202189       
 25      0.1863810              1.2833500        
 26      0.1067680              0.4625684        
 27      0.0499790             -0.7206233        
S   27
  1      1.28349E+08           -5.943749E-07     
  2      2.29044E+07           -1.443354E-06     
  3      5.10777E+06           -4.122573E-06     
  4      1.36528E+06           -9.780822E-06     
  5 422228.0000000             -2.214671E-05     
  6 146685.0000000             -4.730618E-05     
  7  55872.3000000             -0.0001011766     
  8  22881.3000000             -0.000211986      
  9   9920.4500000             -0.0004694133     
 10   4499.9200000             -0.001006324      
 11   2116.7500000             -0.00232522       
 12   1026.0600000             -0.004855172      
 13    510.2570000             -0.01070394       
 14    259.5320000             -0.01923086       
 15    134.7090000             -0.03545813       
 16     71.2104000             -0.03942564       
 17     38.2496000             -0.03445506       
 18     20.8102000              0.06260601       
 19     11.4158000              0.1646280        
 20      6.2730200              0.4190186        
 21      3.4217700             -0.05135443       
 22      1.8304400             -0.6890882        
 23      0.9452350             -1.4265880        
 24      0.4759280              2.1578180        
 25      0.1863810              1.5272650        
 26      0.1067680             -2.8478340        
 27      0.0499790             -0.04977937       
S   27
  1      1.28349E+08           -7.289808E-07     
  2      2.29044E+07           -1.771972E-06     
  3      5.10777E+06           -5.05166E-06      
  4      1.36528E+06           -1.202932E-05     
  5 422228.0000000             -2.704018E-05     
  6 146685.0000000             -5.856786E-05     
  7  55872.3000000             -0.0001222068     
  8  22881.3000000             -0.0002665839     
  9   9920.4500000             -0.0005559679     
 10   4499.9200000             -0.001293282      
 11   2116.7500000             -0.002695009      
 12   1026.0600000             -0.006381528      
 13    510.2570000             -0.01210982       
 14    259.5320000             -0.02625689       
 15    134.7090000             -0.03787767       
 16     71.2104000             -0.06283789       
 17     38.2496000             -0.01409767       
 18     20.8102000              0.01527717       
 19     11.4158000              0.3657945        
 20      6.2730200              0.4139635        
 21      3.4217700              0.003465761      
 22      1.8304400             -2.1710400        
 23      0.9452350              0.5191237        
 24      0.4759280              3.3917220        
 25      0.1863810             -4.9828040        
 26      0.1067680              1.6527780        
 27      0.0499790              2.6936830        
S   27
  1      1.28349E+08           -9.534105E-07     
  2      2.29044E+07           -2.320734E-06     
  3      5.10777E+06           -6.598483E-06     
  4      1.36528E+06           -1.579531E-05     
  5 422228.0000000             -3.513656E-05     
  6 146685.0000000             -7.763263E-05     
  7  55872.3000000             -0.0001562748     
  8  22881.3000000             -0.0003611841     
  9   9920.4500000             -0.0006895381     
 10   4499.9200000             -0.001804534      
 11   2116.7500000             -0.003226883      
 12   1026.0600000             -0.009168809      
 13    510.2570000             -0.01391968       
 14    259.5320000             -0.03951576       
 15    134.7090000             -0.03886446       
 16     71.2104000             -0.1101614        
 17     38.2496000              0.03633212       
 18     20.8102000             -0.08353228       
 19     11.4158000              0.7752076        
 20      6.2730200              0.3636147        
 21      3.4217700             -0.2488450        
 22      1.8304400             -4.9880880        
 23      0.9452350              8.8278190        
 24      0.4759280             -5.6118930        
 25      0.1863810             -1.7489600        
 26      0.1067680              6.6204950        
 27      0.0499790             -6.0660540        
S   1
  1      0.0235010              1.0000000        
S   1
  1      4.6742000              1.0000000        
S   1
  1      1.4892000              1.0000000        
P   19
  1  67602.1000000              0.0000170        
  2  16330.1000000              0.0000560        
  3   5149.5900000              0.0002280        
  4   1950.0300000              0.0008130        
  5    834.4630000              0.0027730        
  6    386.9900000              0.0086180        
  7    189.3720000              0.0243890        
  8     96.2845000              0.0613800        
  9     50.4640000              0.1315120        
 10     27.1483000              0.2254540        
 11     14.9256000              0.2991520        
 12      8.3161700              0.2750970        
 13      4.6208600              0.1389430        
 14      2.5113800              0.0274120        
 15      1.3309100             -0.0003570        
 16      0.6904150             -0.0016060        
 17      0.3432070             -0.0007230        
 18      0.1459030             -0.0000470        
 19      0.0629230             -0.0000080        
P   19
  1  67602.1000000             -0.0000060        
  2  16330.1000000             -0.0000190        
  3   5149.5900000             -0.0000780        
  4   1950.0300000             -0.0002780        
  5    834.4630000             -0.0009500        
  6    386.9900000             -0.0029650        
  7    189.3720000             -0.0084780        
  8     96.2845000             -0.0217270        
  9     50.4640000             -0.0479100        
 10     27.1483000             -0.0848350        
 11     14.9256000             -0.1182250        
 12      8.3161700             -0.1095570        
 13      4.6208600              0.0179470        
 14      2.5113800              0.2471120        
 15      1.3309100              0.4021140        
 16      0.6904150              0.3402800        
 17      0.3432070              0.1277560        
 18      0.1459030              0.0116850        
 19      0.0629230              0.0003950        
P   19
  1  67602.1000000              0.0000010        
  2  16330.1000000              0.0000050        
  3   5149.5900000              0.0000190        
  4   1950.0300000              0.0000670        
  5    834.4630000              0.0002300        
  6    386.9900000              0.0007130        
  7    189.3720000              0.0020570        
  8     96.2845000              0.0052380        
  9     50.4640000              0.0116840        
 10     27.1483000              0.0205230        
 11     14.9256000              0.0292840        
 12      8.3161700              0.0263730        
 13      4.6208600             -0.0065840        
 14      2.5113800             -0.0738030        
 15      1.3309100             -0.1194390        
 16      0.6904150             -0.1240420        
 17      0.3432070              0.0379050        
 18      0.1459030              0.3730470        
 19      0.0629230              0.5239770        
P   19
  1  67602.1000000              0.0000020        
  2  16330.1000000              0.0000060        
  3   5149.5900000              0.0000240        
  4   1950.0300000              0.0000840        
  5    834.4630000              0.0002890        
  6    386.9900000              0.0008970        
  7    189.3720000              0.0025820        
  8     96.2845000              0.0065830        
  9     50.4640000              0.0146450        
 10     27.1483000              0.0257980        
 11     14.9256000              0.0366620        
 12      8.3161700              0.0334130        
 13      4.6208600             -0.0073480        
 14      2.5113800             -0.0897590        
 15      1.3309100             -0.1469230        
 16      0.6904150             -0.1705400        
 17      0.3432070              0.0258650        
 18      0.1459030              0.6050070        
 19      0.0629230              0.4600060        
P   19
  1  67602.1000000              0.0000040        
  2  16330.1000000              0.0000110        
  3   5149.5900000              0.0000490        
  4   1950.0300000              0.0001630        
  5    834.4630000              0.0006020        
  6    386.9900000              0.0017350        
  7    189.3720000              0.0053940        
  8     96.2845000              0.0126850        
  9     50.4640000              0.0308350        
 10     27.1483000              0.0487250        
 11     14.9256000              0.0823030        
 12      8.3161700              0.0594740        
 13      4.6208600              0.0086460        
 14      2.5113800             -0.2621160        
 15      1.3309100             -0.3935920        
 16      0.6904150             -0.2871610        
 17      0.3432070              1.2506070        
 18      0.1459030              0.2254460        
 19      0.0629230             -0.8781090        
P   19
  1  67602.1000000             -0.0000040        
  2  16330.1000000             -0.0000160        
  3   5149.5900000             -0.0000560        
  4   1950.0300000             -0.0002410        
  5    834.4630000             -0.0006620        
  6    386.9900000             -0.0026190        
  7    189.3720000             -0.0058290        
  8     96.2845000             -0.0193560        
  9     50.4640000             -0.0319690        
 10     27.1483000             -0.0805560        
 11     14.9256000             -0.0704160        
 12      8.3161700             -0.1831570        
 13      4.6208600              0.1115480        
 14      2.5113800              0.3981650        
 15      1.3309100              1.0931130        
 16      0.6904150             -1.8838240        
 17      0.3432070             -0.2273100        
 18      0.1459030              1.8732010        
 19      0.0629230             -1.1618350        
P   19
  1  67602.1000000             -0.0000060        
  2  16330.1000000             -0.0000190        
  3   5149.5900000             -0.0000870        
  4   1950.0300000             -0.0002700        
  5    834.4630000             -0.0010940        
  6    386.9900000             -0.0028450        
  7    189.3720000             -0.0098880        
  8     96.2845000             -0.0208950        
  9     50.4640000             -0.0577290        
 10     27.1483000             -0.0780440        
 11     14.9256000             -0.1627120        
 12      8.3161700             -0.1599950        
 13      4.6208600              0.0926730        
 14      2.5113800              1.5778810        
 15      1.3309100             -0.8678530        
 16      0.6904150             -2.5562590        
 17      0.3432070              4.0136040        
 18      0.1459030             -2.7955480        
 19      0.0629230              0.8804900        
P   1
  1      0.0268830              1.0000000        
P   1
  1      6.7472000              1.0000000        
P   1
  1      1.9539000              1.0000000        
D   11
  1    315.8080000              0.0002050        
  2     93.6334000              0.0018340        
  3     36.0393000              0.0095670        
  4     15.6258000              0.0329840        
  5      7.2005900              0.0872900        
  6      3.4805900              0.1761900        
  7      1.7098600              0.2606360        
  8      0.8329620              0.2990220        
  9      0.3976410              0.2693220        
 10      0.1841450              0.1762820        
 11      0.0821190              0.0656500        
D   11
  1    315.8080000             -0.0002170        
  2     93.6334000             -0.0019460        
  3     36.0393000             -0.0101870        
  4     15.6258000             -0.0353910        
  5      7.2005900             -0.0959860        
  6      3.4805900             -0.1908580        
  7      1.7098600             -0.2515260        
  8      0.8329620             -0.1781850        
  9      0.3976410              0.1286570        
 10      0.1841450              0.4500970        
 11      0.0821190              0.3818610        
D   11
  1    315.8080000             -0.0003380        
  2     93.6334000             -0.0030140        
  3     36.0393000             -0.0159950        
  4     15.6258000             -0.0560850        
  5      7.2005900             -0.1575950        
  6      3.4805900             -0.2972960        
  7      1.7098600             -0.2699670        
  8      0.8329620              0.2244730        
  9      0.3976410              0.6824160        
 10      0.1841450              0.0013190        
 11      0.0821190             -0.5971310        
D   11
  1    315.8080000             -0.0004460        
  2     93.6334000             -0.0038100        
  3     36.0393000             -0.0212090        
  4     15.6258000             -0.0727570        
  5      7.2005900             -0.2287970        
  6      3.4805900             -0.3698700        
  7      1.7098600             -0.0120350        
  8      0.8329620              0.9990860        
  9      0.3976410             -0.2211580        
 10      0.1841450             -1.0290000        
 11      0.0821190              0.6624090        
D   11
  1    315.8080000              0.0005350        
  2     93.6334000              0.0056360        
  3     36.0393000              0.0266230        
  4     15.6258000              0.1140920        
  5      7.2005900              0.3131230        
  6      3.4805900              0.4547320        
  7      1.7098600             -0.9829330        
  8      0.8329620             -0.3904280        
  9      0.3976410              1.8432160        
 10      0.1841450             -1.5757380        
 11      0.0821190              0.2036060        
D   1
  1      0.0344420              1.0000000        
D   1
  1      4.2941000              1.0000000        
D   1
  1      2.5036000              1.0000000        
F   1
  1      6.6514000              1.0000000        
F   1
  1      2.8885000              1.0000000        
F   1
  1      1.2544000              1.0000000        
F   1
  1      0.5447000              1.0000000        
F   1
  1      0.1769000              1.0000000        
G   1
  1      4.8058000              1.0000000        
G   1
  1      2.2562000              1.0000000        
G   1
  1      1.0592000              1.0000000        
G   1
  1      0.3521000              1.0000000        
H   1
  1      4.3898000              1.0000000        
H   1
  1      1.9449000              1.0000000        
H   1
  1      0.6908000              1.0000000        
I   1
  1      4.1690000              1.0000000        
I   1
  1      1.5368000              1.0000000        


name: cc-pwCV5Z-DK
description: 5Z4P All-electron Douglas-Kroll Core-Valence Quintuple Zeta + Polarization
elt: Cr
data:
CHROMIUM
S   27
  1      1.35540E+08            7.988356E-06     
  2      2.42404E+07            1.931266E-05     
  3      5.41227E+06            5.501981E-05     
  4      1.44792E+06            0.0001302212     
  5 448199.0000000              0.0002927924     
  6 155899.0000000              0.00062447       
  7  59479.6000000              0.001312315      
  8  24408.1000000              0.002757895      
  9  10607.0000000              0.005886864      
 10   4823.0800000              0.01275334       
 11   2274.0800000              0.02764037       
 12   1104.5400000              0.0580299        
 13    550.0990000              0.1129400        
 14    280.0100000              0.1914790        
 15    145.3300000              0.2553998        
 16     76.7551000              0.2241805        
 17     41.1594000              0.1046212        
 18     22.3445000              0.05226127       
 19     12.2293000              0.0943261        
 20      6.7077700              0.08989426       
 21      3.6569400              0.02958319       
 22      1.9597800              0.00260282       
 23      1.0175800              0.0001529062     
 24      0.5129130             -3.148845E-05     
 25      0.1947980              3.298129E-06     
 26      0.1109690              1.448278E-05     
 27      0.0521230              2.195862E-05     
S   27
  1      1.35540E+08           -4.423503E-06     
  2      2.42404E+07           -1.069522E-05     
  3      5.41227E+06           -3.047394E-05     
  4      1.44792E+06           -7.21459E-05      
  5 448199.0000000             -0.0001622872     
  6 155899.0000000             -0.0003463873     
  7  59479.6000000             -0.0007287714     
  8  24408.1000000             -0.001534531      
  9  10607.0000000             -0.003285742      
 10   4823.0800000             -0.007158385      
 11   2274.0800000             -0.01567068       
 12   1104.5400000             -0.03354476       
 13    550.0990000             -0.0677352        
 14    280.0100000             -0.1233915        
 15    145.3300000             -0.1891323        
 16     76.7551000             -0.2118809        
 17     41.1594000             -0.1088253        
 18     22.3445000              0.1418616        
 19     12.2293000              0.4340020        
 20      6.7077700              0.4205940        
 21      3.6569400              0.1383169        
 22      1.9597800              0.01178943       
 23      1.0175800             -0.0005634646     
 24      0.5129130             -0.0006341974     
 25      0.1947980             -6.242247E-05     
 26      0.1109690              0.0001024304     
 27      0.0521230              8.812774E-05     
S   27
  1      1.35540E+08            9.507938E-07     
  2      2.42404E+07            2.29903E-06      
  3      5.41227E+06            6.55129E-06      
  4      1.44792E+06            1.551391E-05     
  5 448199.0000000              3.490796E-05     
  6 155899.0000000              7.456195E-05     
  7  59479.6000000              0.0001569865     
  8  24408.1000000              0.0003311904     
  9  10607.0000000              0.0007105562     
 10   4823.0800000              0.001556112      
 11   2274.0800000              0.003430565      
 12   1104.5400000              0.007463144      
 13    550.0990000              0.01547014       
 14    280.0100000              0.02968119       
 15    145.3300000              0.04946573       
 16     76.7551000              0.06298093       
 17     41.1594000              0.03446065       
 18     22.3445000             -0.06854433       
 19     12.2293000             -0.2618341        
 20      6.7077700             -0.3734862        
 21      3.6569400             -0.09374652       
 22      1.9597800              0.4031850        
 23      1.0175800              0.5928442        
 24      0.5129130              0.2710006        
 25      0.1947980              0.02094043       
 26      0.1109690             -0.003769577      
 27      0.0521230              0.003102853      
S   27
  1      1.35540E+08           -2.169298E-07     
  2      2.42404E+07           -5.245406E-07     
  3      5.41227E+06           -1.494719E-06     
  4      1.44792E+06           -3.539655E-06     
  5 448199.0000000             -7.964466E-06     
  6 155899.0000000             -1.701262E-05     
  7  59479.6000000             -3.581758E-05     
  8  24408.1000000             -7.557175E-05     
  9  10607.0000000             -0.0001621265     
 10   4823.0800000             -0.0003551212     
 11   2274.0800000             -0.0007829176     
 12   1104.5400000             -0.001703819      
 13    550.0990000             -0.003533391      
 14    280.0100000             -0.006786357      
 15    145.3300000             -0.01133321       
 16     76.7551000             -0.01448465       
 17     41.1594000             -0.007973652      
 18     22.3445000              0.0160128        
 19     12.2293000              0.06326731       
 20      6.7077700              0.09472229       
 21      3.6569400              0.02146664       
 22      1.9597800             -0.1199792        
 23      1.0175800             -0.2179553        
 24      0.5129130             -0.2049556        
 25      0.1947980              0.02536035       
 26      0.1109690              0.4083642        
 27      0.0521230              0.5538116        
S   27
  1      1.35540E+08           -4.324902E-07     
  2      2.42404E+07           -1.04551E-06      
  3      5.41227E+06           -2.980671E-06     
  4      1.44792E+06           -7.052143E-06     
  5 448199.0000000             -1.58966E-05      
  6 155899.0000000             -3.383913E-05     
  7  59479.6000000             -7.168719E-05     
  8  24408.1000000             -0.000149717      
  9  10607.0000000             -0.0003261726     
 10   4823.0800000             -0.0006995308     
 11   2274.0800000             -0.00158454       
 12   1104.5400000             -0.003337475      
 13    550.0990000             -0.007202878      
 14    280.0100000             -0.01318455       
 15    145.3300000             -0.02352663       
 16     76.7551000             -0.02711642       
 17     41.1594000             -0.0202532        
 18     22.3445000              0.04086224       
 19     12.2293000              0.1151279        
 20      6.7077700              0.2357592        
 21      3.6569400             -0.01495497       
 22      1.9597800             -0.2568686        
 23      1.0175800             -0.7608963        
 24      0.5129130              0.1231665        
 25      0.1947980              1.3336790        
 26      0.1109690              0.3116838        
 27      0.0521230             -0.7120654        
S   27
  1      1.35540E+08           -6.655637E-07     
  2      2.42404E+07           -1.608754E-06     
  3      5.41227E+06           -4.587504E-06     
  4      1.44792E+06           -1.08491E-05      
  5 448199.0000000             -2.447725E-05     
  6 155899.0000000             -5.20181E-05      
  7  59479.6000000             -0.0001105326     
  8  24408.1000000             -0.0002297131     
  9  10607.0000000             -0.000504199      
 10   4823.0800000             -0.001070484      
 11   2274.0800000             -0.00245684       
 12   1104.5400000             -0.005096075      
 13    550.0990000             -0.01121471       
 14    280.0100000             -0.02008902       
 15    145.3300000             -0.03704662       
 16     76.7551000             -0.04084003       
 17     41.1594000             -0.03465912       
 18     22.3445000              0.07017551       
 19     12.2293000              0.1839111        
 20      6.7077700              0.4352639        
 21      3.6569400             -0.1145446        
 22      1.9597800             -0.7658490        
 23      1.0175800             -1.3228080        
 24      0.5129130              2.3125880        
 25      0.1947980              1.1444920        
 26      0.1109690             -2.7281420        
 27      0.0521230              0.1723585        
S   27
  1      1.35540E+08            8.351431E-07     
  2      2.42404E+07            2.021012E-06     
  3      5.41227E+06            5.750406E-06     
  4      1.44792E+06            1.365756E-05     
  5 448199.0000000              3.055438E-05     
  6 155899.0000000              6.599075E-05     
  7  59479.6000000              0.0001362312     
  8  24408.1000000              0.0002968797     
  9  10607.0000000              0.0006067803     
 10   4823.0800000              0.001420496      
 11   2274.0800000              0.002878306      
 12   1104.5400000              0.006948735      
 13    550.0990000              0.01275716       
 14    280.0100000              0.02863296       
 15    145.3300000              0.03931614       
 16     76.7551000              0.06960472       
 17     41.1594000              0.007792521      
 18     22.3445000             -0.01205026       
 19     12.2293000             -0.4427734        
 20      6.7077700             -0.3877571        
 21      3.6569400              0.1015322        
 22      1.9597800              2.4134830        
 23      1.0175800             -1.3135760        
 24      0.5129130             -2.6704710        
 25      0.1947980              5.1440310        
 26      0.1109690             -2.5322670        
 27      0.0521230             -2.0012780        
S   27
  1      1.35540E+08           -1.037822E-06     
  2      2.42404E+07           -2.51344E-06      
  3      5.41227E+06           -7.141104E-06     
  4      1.44792E+06           -1.700894E-05     
  5 448199.0000000             -3.783814E-05     
  6 155899.0000000             -8.261133E-05     
  7  59479.6000000             -0.0001672367     
  8  24408.1000000             -0.0003762776     
  9  10607.0000000             -0.0007322734     
 10   4823.0800000             -0.001831629      
 11   2274.0800000             -0.003406227      
 12   1104.5400000             -0.009120497      
 13    550.0990000             -0.01478319       
 14    280.0100000             -0.03866482       
 15    145.3300000             -0.04311799       
 16     76.7551000             -0.1032378        
 17     41.1594000              0.02075082       
 18     22.3445000             -0.03914516       
 19     12.2293000              0.7650270        
 20      6.7077700              0.4583898        
 21      3.6569400             -0.8162241        
 22      1.9597800             -4.2566620        
 23      1.0175800              8.7954540        
 24      0.5129130             -6.3674240        
 25      0.1947980             -0.07718246       
 26      0.1109690              4.9948380        
 27      0.0521230             -5.5369870        
S   1
  1      0.0244890              1.0000000        
S   1
  1      5.2776000              1.0000000        
S   1
  1      1.7542000              1.0000000        
P   19
  1  72029.6000000              0.0000180        
  2  17890.9000000              0.0000580        
  3   5678.2800000              0.0002350        
  4   2138.7500000              0.0008390        
  5    905.8550000              0.0028990        
  6    415.6450000              0.0091160        
  7    201.6950000              0.0259650        
  8    102.0400000              0.0652290        
  9     53.3955000              0.1381920        
 10     28.7570000              0.2329390        
 11     15.8536000              0.3018830        
 12      8.8638500              0.2665600        
 13      4.9433400              0.1274760        
 14      2.6973200              0.0235560        
 15      1.4364300             -0.0004170        
 16      0.7485180             -0.0014190        
 17      0.3733100             -0.0006110        
 18      0.1577460             -0.0000370        
 19      0.0674450             -0.0000060        
P   19
  1  72029.6000000             -0.0000060        
  2  17890.9000000             -0.0000200        
  3   5678.2800000             -0.0000810        
  4   2138.7500000             -0.0002910        
  5    905.8550000             -0.0010080        
  6    415.6450000             -0.0031870        
  7    201.6950000             -0.0091780        
  8    102.0400000             -0.0235020        
  9     53.3955000             -0.0513060        
 10     28.7570000             -0.0894510        
 11     15.8536000             -0.1220480        
 12      8.8638500             -0.1053490        
 13      4.9433400              0.0349420        
 14      2.6973200              0.2633420        
 15      1.4364300              0.4014720        
 16      0.7485180              0.3252750        
 17      0.3733100              0.1179790        
 18      0.1577460              0.0104140        
 19      0.0674450              0.0003090        
P   19
  1  72029.6000000              0.0000020        
  2  17890.9000000              0.0000050        
  3   5678.2800000              0.0000190        
  4   2138.7500000              0.0000680        
  5    905.8550000              0.0002390        
  6    415.6450000              0.0007500        
  7    201.6950000              0.0021780        
  8    102.0400000              0.0055440        
  9     53.3955000              0.0122430        
 10     28.7570000              0.0211740        
 11     15.8536000              0.0296210        
 12      8.8638500              0.0246650        
 13      4.9433400             -0.0108710        
 14      2.6973200             -0.0772030        
 15      1.4364300             -0.1173230        
 16      0.7485180             -0.1154640        
 17      0.3733100              0.0466460        
 18      0.1577460              0.3726460        
 19      0.0674450              0.5199920        
P   19
  1  72029.6000000              0.0000020        
  2  17890.9000000              0.0000060        
  3   5678.2800000              0.0000250        
  4   2138.7500000              0.0000880        
  5    905.8550000              0.0003080        
  6    415.6450000              0.0009680        
  7    201.6950000              0.0028070        
  8    102.0400000              0.0071480        
  9     53.3955000              0.0157580        
 10     28.7570000              0.0273110        
 11     15.8536000              0.0381310        
 12      8.8638500              0.0321240        
 13      4.9433400             -0.0130760        
 14      2.6973200             -0.0972130        
 15      1.4364300             -0.1500190        
 16      0.7485180             -0.1633260        
 17      0.3733100              0.0542490        
 18      0.1577460              0.6112600        
 19      0.0674450              0.4390970        
P   19
  1  72029.6000000              0.0000040        
  2  17890.9000000              0.0000120        
  3   5678.2800000              0.0000530        
  4   2138.7500000              0.0001780        
  5    905.8550000              0.0006580        
  6    415.6450000              0.0019430        
  7    201.6950000              0.0060100        
  8    102.0400000              0.0142900        
  9     53.3955000              0.0340490        
 10     28.7570000              0.0535590        
 11     15.8536000              0.0880820        
 12      8.8638500              0.0596580        
 13      4.9433400             -0.0075160        
 14      2.6973200             -0.3010680        
 15      1.4364300             -0.4037260        
 16      0.7485180             -0.1805400        
 17      0.3733100              1.2490040        
 18      0.1577460              0.1136350        
 19      0.0674450             -0.8277730        
P   19
  1  72029.6000000              0.0000050        
  2  17890.9000000              0.0000170        
  3   5678.2800000              0.0000630        
  4   2138.7500000              0.0002590        
  5    905.8550000              0.0007560        
  6    415.6450000              0.0028670        
  7    201.6950000              0.0068170        
  8    102.0400000              0.0213860        
  9     53.3955000              0.0371400        
 10     28.7570000              0.0867790        
 11     15.8536000              0.0821420        
 12      8.8638500              0.1832060        
 13      4.9433400             -0.1563700        
 14      2.6973200             -0.5064860        
 15      1.4364300             -0.8977050        
 16      0.7485180              1.9776090        
 17      0.3733100             -0.0784390        
 18      0.1577460             -1.6907600        
 19      0.0674450              1.1510650        
P   19
  1  72029.6000000             -0.0000070        
  2  17890.9000000             -0.0000210        
  3   5678.2800000             -0.0000960        
  4   2138.7500000             -0.0002840        
  5    905.8550000             -0.0012270        
  6    415.6450000             -0.0030680        
  7    201.6950000             -0.0113470        
  8    102.0400000             -0.0225260        
  9     53.3955000             -0.0663840        
 10     28.7570000             -0.0792560        
 11     15.8536000             -0.1962790        
 12      8.8638500             -0.1328260        
 13      4.9433400              0.2007610        
 14      2.6973200              1.6694880        
 15      1.4364300             -1.5147710        
 16      0.7485180             -1.7673040        
 17      0.3733100              3.6122160        
 18      0.1577460             -2.7767190        
 19      0.0674450              1.0038450        
P   1
  1      0.0285490              1.0000000        
P   1
  1      7.7063000              1.0000000        
P   1
  1      2.2690000              1.0000000        
D   11
  1    408.6230000              0.0001600        
  2    120.7610000              0.0014480        
  3     46.4460000              0.0078230        
  4     20.2390000              0.0281850        
  5      9.3638100              0.0772900        
  6      4.5309400              0.1641140        
  7      2.2314000              0.2548640        
  8      1.0877600              0.3022260        
  9      0.5173840              0.2792280        
 10      0.2371640              0.1870480        
 11      0.1033080              0.0708990        
D   11
  1    408.6230000             -0.0001810        
  2    120.7610000             -0.0016430        
  3     46.4460000             -0.0089270        
  4     20.2390000             -0.0323460        
  5      9.3638100             -0.0912500        
  6      4.5309400             -0.1928490        
  7      2.2314000             -0.2645410        
  8      1.0877600             -0.1867400        
  9      0.5173840              0.1269280        
 10      0.2371640              0.4503720        
 11      0.1033080              0.3818950        
D   11
  1    408.6230000             -0.0002610        
  2    120.7610000             -0.0023550        
  3     46.4460000             -0.0129600        
  4     20.2390000             -0.0472650        
  5      9.3638100             -0.1386330        
  6      4.5309400             -0.2864130        
  7      2.2314000             -0.2875130        
  8      1.0877600              0.1816790        
  9      0.5173840              0.6898620        
 10      0.2371640              0.0343680        
 11      0.1033080             -0.6335340        
D   11
  1    408.6230000             -0.0003830        
  2    120.7610000             -0.0032790        
  3     46.4460000             -0.0190900        
  4     20.2390000             -0.0677960        
  5      9.3638100             -0.2245640        
  6      4.5309400             -0.4060110        
  7      2.2314000             -0.0277500        
  8      1.0877600              0.9973750        
  9      0.5173840             -0.1697640        
 10      0.2371640             -1.0397890        
 11      0.1033080              0.6710790        
D   11
  1    408.6230000              0.0004370        
  2    120.7610000              0.0045890        
  3     46.4460000              0.0227170        
  4     20.2390000              0.0996160        
  5      9.3638100              0.3058450        
  6      4.5309400              0.4774610        
  7      2.2314000             -0.9325180        
  8      1.0877600             -0.4753000        
  9      0.5173840              1.8742470        
 10      0.2371640             -1.5688730        
 11      0.1033080              0.2238730        
D   1
  1      0.0414480              1.0000000        
D   1
  1      5.1967000              1.0000000        
D   1
  1      3.1194000              1.0000000        
F   1
  1      8.1276000              1.0000000        
F   1
  1      3.5260000              1.0000000        
F   1
  1      1.5297000              1.0000000        
F   1
  1      0.6636000              1.0000000        
F   1
  1      0.2158000              1.0000000        
G   1
  1      5.5422000              1.0000000        
G   1
  1      2.6311000              1.0000000        
G   1
  1      1.2491000              1.0000000        
G   1
  1      0.4265000              1.0000000        
H   1
  1      5.1778000              1.0000000        
H   1
  1      2.3419000              1.0000000        
H   1
  1      0.8661000              1.0000000        
I   1
  1      5.1719000              1.0000000        
I   1
  1      2.0805000              1.0000000        


name: cc-pwCV5Z-DK
description: 5Z4P All-electron Douglas-Kroll Core-Valence Quintuple Zeta + Polarization
elt: Mn
data:
MANGANESE
S   27
  1      1.37766E+08            9.175881E-06     
  2      2.45640E+07            2.220837E-05     
  3      5.47999E+06            6.312902E-05     
  4      1.46664E+06            0.000149043      
  5 454421.0000000              0.000334252      
  6 158216.0000000              0.0007110598     
  7  60404.3000000              0.001490706      
  8  24793.6000000              0.003125433      
  9  10772.3000000              0.00665555       
 10   4895.5400000              0.01438106       
 11   2306.5600000              0.03106181       
 12   1119.5600000              0.06485971       
 13    557.3810000              0.1250063        
 14    283.7780000              0.2083100        
 15    147.4360000              0.2695263        
 16     78.0227000              0.2254809        
 17     41.9679000              0.09819842       
 18     22.8778000              0.04363582       
 19     12.5845000              0.0696258        
 20      6.9417000              0.05919984       
 21      3.8062900              0.01745965       
 22      2.0503100              0.001273075      
 23      1.0683800             -8.199702E-05     
 24      0.5366060             -8.846319E-05     
 25      0.1832600             -6.838112E-07     
 26      0.1052970              9.2988E-06       
 27      0.0514640              1.077915E-05     
S   27
  1      1.37766E+08           -4.381338E-06     
  2      2.45640E+07           -1.060525E-05     
  3      5.47999E+06           -3.015144E-05     
  4      1.46664E+06           -7.120841E-05     
  5 454421.0000000             -0.0001597824     
  6 158216.0000000             -0.000340203      
  7  60404.3000000             -0.0007142262     
  8  24793.6000000             -0.001500807      
  9  10772.3000000             -0.003208026      
 10   4895.5400000             -0.006976942      
 11   2306.5600000             -0.01525116       
 12   1119.5600000             -0.0325723        
 13    557.3810000             -0.06555716       
 14    283.7780000             -0.1186999        
 15    147.4360000             -0.1799524        
 16     78.0227000             -0.1951121        
 17     41.9679000             -0.08217273       
 18     22.8778000              0.1808616        
 19     12.5845000              0.4586460        
 20      6.9417000              0.3972272        
 21      3.8062900              0.1168848        
 22      2.0503100              0.007958495      
 23      1.0683800             -0.002092204      
 24      0.5366060             -0.001135142      
 25      0.1832600             -7.879372E-05     
 26      0.1052970              0.0001025231     
 27      0.0514640              5.410158E-05     
S   27
  1      1.37766E+08            1.068287E-06     
  2      2.45640E+07            2.586031E-06     
  3      5.47999E+06            7.352933E-06     
  4      1.46664E+06            1.736941E-05     
  5 454421.0000000              3.898542E-05     
  6 158216.0000000              8.306111E-05     
  7  60404.3000000              0.0001744949     
  8  24793.6000000              0.0003673057     
  9  10772.3000000              0.0007865417     
 10   4895.5400000              0.001718715      
 11   2306.5600000              0.00378089       
 12   1119.5600000              0.008193983      
 13    557.3810000              0.01688439       
 14    283.7780000              0.03203007       
 15    147.4360000              0.05227776       
 16     78.0227000              0.06329496       
 17     41.9679000              0.02730142       
 18     22.8778000             -0.08717741       
 19     12.5845000             -0.2875772        
 20      6.9417000             -0.3628884        
 21      3.8062900             -0.04215027       
 22      2.0503100              0.4388709        
 23      1.0683800              0.5771293        
 24      0.5366060              0.2387704        
 25      0.1832600              0.01570217       
 26      0.1052970             -0.004203808      
 27      0.0514640              0.003045068      
S   27
  1      1.37766E+08           -2.38094E-07      
  2      2.45640E+07           -5.763617E-07     
  3      5.47999E+06           -1.638783E-06     
  4      1.46664E+06           -3.871248E-06     
  5 454421.0000000             -8.688905E-06     
  6 158216.0000000             -1.851283E-05     
  7  60404.3000000             -3.889181E-05     
  8  24793.6000000             -8.18682E-05      
  9  10772.3000000             -0.0001753253     
 10   4895.5400000             -0.000383106      
 11   2306.5600000             -0.0008430459     
 12   1119.5600000             -0.001827049      
 13    557.3810000             -0.003768381      
 14    283.7780000             -0.0071523        
 15    147.4360000             -0.01170913       
 16     78.0227000             -0.01421051       
 17     41.9679000             -0.006206358      
 18     22.8778000              0.02000513       
 19     12.5845000              0.06799373       
 20      6.9417000              0.09008027       
 21      3.8062900              0.006726841      
 22      2.0503100             -0.1266192        
 23      1.0683800             -0.2141210        
 24      0.5366060             -0.1856184        
 25      0.1832600              0.0909400        
 26      0.1052970              0.4118037        
 27      0.0514640              0.5094118        
S   27
  1      1.37766E+08           -4.84787E-07      
  2      2.45640E+07           -1.173096E-06     
  3      5.47999E+06           -3.337866E-06     
  4      1.46664E+06           -7.874209E-06     
  5 454421.0000000             -1.77214E-05      
  6 158216.0000000             -3.756312E-05     
  7  60404.3000000             -7.964774E-05     
  8  24793.6000000             -0.000165119      
  9  10772.3000000             -0.0003618268     
 10   4895.5400000             -0.0007660144     
 11   2306.5600000             -0.00175539       
 12   1119.5600000             -0.003620866      
 13    557.3810000             -0.007932822      
 14    283.7780000             -0.01397326       
 15    147.4360000             -0.02536594       
 16     78.0227000             -0.02583964       
 17     41.9679000             -0.01989071       
 18     22.8778000              0.05587662       
 19     12.5845000              0.1164236        
 20      6.9417000              0.2517457        
 21      3.8062900             -0.08002852       
 22      2.0503100             -0.2433200        
 23      1.0683800             -0.8158726        
 24      0.5366060              0.3234709        
 25      0.1832600              1.5214530        
 26      0.1052970             -0.1148130        
 27      0.0514640             -0.6387061        
S   27
  1      1.37766E+08           -7.512011E-07     
  2      2.45640E+07           -1.817618E-06     
  3      5.47999E+06           -5.172616E-06     
  4      1.46664E+06           -1.21987E-05      
  5 454421.0000000             -2.747141E-05     
  6 158216.0000000             -5.816137E-05     
  7  60404.3000000             -0.0001235878     
  8  24793.6000000             -0.0002553343     
  9  10772.3000000             -0.0005624479     
 10   4895.5400000             -0.001182468      
 11   2306.5600000             -0.002734688      
 12   1119.5600000             -0.005582357      
 13    557.3810000             -0.01239937       
 14    283.7780000             -0.0215283        
 15    147.4360000             -0.04003117       
 16     78.0227000             -0.03951846       
 17     41.9679000             -0.03357302       
 18     22.8778000              0.09316877       
 19     12.5845000              0.1936863        
 20      6.9417000              0.4576255        
 21      3.8062900             -0.2269693        
 22      2.0503100             -0.8205798        
 23      1.0683800             -1.1703670        
 24      0.5366060              2.4796750        
 25      0.1832600              0.5071965        
 26      0.1052970             -2.4559780        
 27      0.0514640              0.4637332        
S   27
  1      1.37766E+08            9.501859E-07     
  2      2.45640E+07            2.302638E-06     
  3      5.47999E+06            6.534031E-06     
  4      1.46664E+06            1.549527E-05     
  5 454421.0000000              3.451419E-05     
  6 158216.0000000              7.462236E-05     
  7  60404.3000000              0.0001527131     
  8  24793.6000000              0.0003356054     
  9  10772.3000000              0.0006735275     
 10   4895.5400000              0.001608663      
 11   2306.5600000              0.003158595      
 12   1119.5600000              0.007873457      
 13    557.3810000              0.01373173       
 14    283.7780000              0.03227593       
 15    147.4360000              0.03976109       
 16     78.0227000              0.07706429       
 17     41.9679000             -0.01214183       
 18     22.8778000             -0.005722879      
 19     12.5845000             -0.5354706        
 20      6.9417000             -0.2928017        
 21      3.8062900              0.09232953       
 22      2.0503100              2.8929030        
 23      1.0683800             -2.5729720        
 24      0.5366060             -1.3308900        
 25      0.1832600              5.1351630        
 26      0.1052970             -3.8523080        
 27      0.0514640             -0.9550986        
S   27
  1      1.37766E+08           -1.128118E-06     
  2      2.45640E+07           -2.733535E-06     
  3      5.47999E+06           -7.758502E-06     
  4      1.46664E+06           -1.839184E-05     
  5 454421.0000000             -4.099951E-05     
  6 158216.0000000             -8.851677E-05     
  7  60404.3000000             -0.0001816369     
  8  24793.6000000             -0.0003975353     
  9  10772.3000000             -0.0008030675     
 10   4895.5400000             -0.001902448      
 11   2306.5600000             -0.003779167      
 12   1119.5600000             -0.009307704      
 13    557.3810000             -0.0165406        
 14    283.7780000             -0.03821704       
 15    147.4360000             -0.04887395       
 16     78.0227000             -0.09128293       
 17     41.9679000              0.008491437      
 18     22.8778000              0.02611301       
 19     12.5845000              0.7079390        
 20      6.9417000              0.6498609        
 21      3.8062900             -1.5963690        
 22      2.0503100             -3.2731990        
 23      1.0683800              8.6437670        
 24      0.5366060             -7.1910560        
 25      0.1832600              2.6285060        
 26      0.1052970              1.9458760        
 27      0.0514640             -4.4344500        
S   1
  1      0.0246780              1.0000000        
S   1
  1      5.8340000              1.0000000        
S   1
  1      1.9879000              1.0000000        
P   19
  1  79296.8000000              0.0000200        
  2  19317.1000000              0.0000630        
  3   6114.1000000              0.0002480        
  4   2316.2600000              0.0008630        
  5    989.6900000              0.0029100        
  6    457.9420000              0.0090030        
  7    223.6420000              0.0254540        
  8    113.5940000              0.0639330        
  9     59.5621000              0.1361980        
 10     32.1072000              0.2315300        
 11     17.7103000              0.3023300        
 12      9.9062100              0.2689820        
 13      5.5224300              0.1295470        
 14      3.0083200              0.0233200        
 15      1.5987300             -0.0015660        
 16      0.8308680             -0.0023560        
 17      0.4135380             -0.0009350        
 18      0.1712140             -0.0000620        
 19      0.0721220             -0.0000060        
P   19
  1  79296.8000000             -0.0000070        
  2  19317.1000000             -0.0000220        
  3   6114.1000000             -0.0000860        
  4   2316.2600000             -0.0003000        
  5    989.6900000             -0.0010160        
  6    457.9420000             -0.0031590        
  7    223.6420000             -0.0090310        
  8    113.5940000             -0.0231260        
  9     59.5621000             -0.0507790        
 10     32.1072000             -0.0893990        
 11     17.7103000             -0.1228770        
 12      9.9062100             -0.1065140        
 13      5.5224300              0.0357560        
 14      3.0083200              0.2669420        
 15      1.5987300              0.4036250        
 16      0.8308680              0.3225890        
 17      0.4135380              0.1156130        
 18      0.1712140              0.0099950        
 19      0.0721220              0.0001640        
P   19
  1  79296.8000000             -0.0000020        
  2  19317.1000000             -0.0000050        
  3   6114.1000000             -0.0000200        
  4   2316.2600000             -0.0000690        
  5    989.6900000             -0.0002350        
  6    457.9420000             -0.0007240        
  7    223.6420000             -0.0020910        
  8    113.5940000             -0.0053130        
  9     59.5621000             -0.0118180        
 10     32.1072000             -0.0205920        
 11     17.7103000             -0.0290740        
 12      9.9062100             -0.0242130        
 13      5.5224300              0.0103870        
 14      3.0083200              0.0758020        
 15      1.5987300              0.1132510        
 16      0.8308680              0.1107600        
 17      0.4135380             -0.0458160        
 18      0.1712140             -0.3666060        
 19      0.0721220             -0.5209940        
P   19
  1  79296.8000000              0.0000020        
  2  19317.1000000              0.0000070        
  3   6114.1000000              0.0000270        
  4   2316.2600000              0.0000940        
  5    989.6900000              0.0003190        
  6    457.9420000              0.0009840        
  7    223.6420000              0.0028430        
  8    113.5940000              0.0072090        
  9     59.5621000              0.0160560        
 10     32.1072000              0.0279420        
 11     17.7103000              0.0396110        
 12      9.9062100              0.0329680        
 13      5.5224300             -0.0131210        
 14      3.0083200             -0.1026490        
 15      1.5987300             -0.1544890        
 16      0.8308680             -0.1600600        
 17      0.4135380              0.0784490        
 18      0.1712140              0.6163740        
 19      0.0721220              0.4207930        
P   19
  1  79296.8000000              0.0000050        
  2  19317.1000000              0.0000140        
  3   6114.1000000              0.0000580        
  4   2316.2600000              0.0001920        
  5    989.6900000              0.0006960        
  6    457.9420000              0.0020080        
  7    223.6420000              0.0062130        
  8    113.5940000              0.0146760        
  9     59.5621000              0.0353990        
 10     32.1072000              0.0558380        
 11     17.7103000              0.0928570        
 12      9.9062100              0.0627380        
 13      5.5224300             -0.0076120        
 14      3.0083200             -0.3326500        
 15      1.5987300             -0.4106540        
 16      0.8308680             -0.1060750        
 17      0.4135380              1.2223080        
 18      0.1712140              0.0490250        
 19      0.0721220             -0.7934070        
P   19
  1  79296.8000000              0.0000060        
  2  19317.1000000              0.0000200        
  3   6114.1000000              0.0000710        
  4   2316.2600000              0.0002850        
  5    989.6900000              0.0008150        
  6    457.9420000              0.0030400        
  7    223.6420000              0.0071830        
  8    113.5940000              0.0225240        
  9     59.5621000              0.0396270        
 10     32.1072000              0.0922750        
 11     17.7103000              0.0881760        
 12      9.9062100              0.1941840        
 13      5.5224300             -0.1735320        
 14      3.0083200             -0.6083310        
 15      1.5987300             -0.7382110        
 16      0.8308680              2.0243030        
 17      0.4135380             -0.3298290        
 18      0.1712140             -1.4935320        
 19      0.0721220              1.1177440        
P   19
  1  79296.8000000              0.0000080        
  2  19317.1000000              0.0000250        
  3   6114.1000000              0.0001060        
  4   2316.2600000              0.0003420        
  5    989.6900000              0.0012720        
  6    457.9420000              0.0035810        
  7    223.6420000              0.0114470        
  8    113.5940000              0.0264520        
  9     59.5621000              0.0662750        
 10     32.1072000              0.1011730        
 11     17.7103000              0.1824440        
 12      9.9062100              0.2264760        
 13      5.5224300             -0.4191550        
 14      3.0083200             -1.7434020        
 15      1.5987300              2.2743340        
 16      0.8308680              0.6841410        
 17      0.4135380             -2.8576890        
 18      0.1712140              2.5150700        
 19      0.0721220             -1.0349870        
P   1
  1      0.0301100              1.0000000        
P   1
  1      8.8318000              1.0000000        
P   1
  1      2.6917000              1.0000000        
D   11
  1    449.7850000              0.0001690        
  2    132.7510000              0.0015380        
  3     50.9528000              0.0083670        
  4     22.1594000              0.0303140        
  5     10.2612000              0.0828020        
  6      4.9780300              0.1723770        
  7      2.4573000              0.2608660        
  8      1.2010100              0.3011350        
  9      0.5725160              0.2713710        
 10      0.2625960              0.1780740        
 11      0.1141400              0.0677740        
D   11
  1    449.7850000             -0.0001730        
  2    132.7510000             -0.0015710        
  3     50.9528000             -0.0085770        
  4     22.1594000             -0.0312520        
  5     10.2612000             -0.0873880        
  6      4.9780300             -0.1828420        
  7      2.4573000             -0.2505620        
  8      1.2010100             -0.1725500        
  9      0.5725160              0.1183370        
 10      0.2625960              0.4199520        
 11      0.1141400              0.4092760        
D   11
  1    449.7850000             -0.0002730        
  2    132.7510000             -0.0024890        
  3     50.9528000             -0.0137240        
  4     22.1594000             -0.0506030        
  5     10.2612000             -0.1473270        
  6      4.9780300             -0.2974210        
  7      2.4573000             -0.2738540        
  8      1.2010100              0.1901550        
  9      0.5725160              0.6286420        
 10      0.2625960              0.1058660        
 11      0.1141400             -0.5751650        
D   11
  1    449.7850000             -0.0003450        
  2    132.7510000             -0.0031230        
  3     50.9528000             -0.0174550        
  4     22.1594000             -0.0644950        
  5     10.2612000             -0.2022090        
  6      4.9780300             -0.4044630        
  7      2.4573000             -0.0249760        
  8      1.2010100              0.9272090        
  9      0.5725160             -0.0725570        
 10      0.2625960             -0.9877520        
 11      0.1141400              0.4393010        
D   11
  1    449.7850000              0.0004430        
  2    132.7510000              0.0041250        
  3     50.9528000              0.0227360        
  4     22.1594000              0.0894400        
  5     10.2612000              0.3004590        
  6      4.9780300              0.4539710        
  7      2.4573000             -0.8298630        
  8      1.2010100             -0.5280360        
  9      0.5725160              1.6092210        
 10      0.2625960             -0.9535770        
 11      0.1141400             -0.3842430        
D   1
  1      0.0456420              1.0000000        
D   1
  1      5.9718000              1.0000000        
D   1
  1      3.5428000              1.0000000        
F   1
  1      9.4747000              1.0000000        
F   1
  1      4.1404000              1.0000000        
F   1
  1      1.8093000              1.0000000        
F   1
  1      0.7906000              1.0000000        
F   1
  1      0.2614000              1.0000000        
G   1
  1      6.4908000              1.0000000        
G   1
  1      3.1225000              1.0000000        
G   1
  1      1.5022000              1.0000000        
G   1
  1      0.5327000              1.0000000        
H   1
  1      6.0071000              1.0000000        
H   1
  1      2.7692000              1.0000000        
H   1
  1      1.0636000              1.0000000        
I   1
  1      6.0846000              1.0000000        
I   1
  1      2.5736000              1.0000000        


