# all_value

name: aug-cc-pV5Z-PP
description: V5ZPD Valence Quintuple Zeta + Polarization on All Atoms
elt: Tc
data:
TECHNETIUM
S   15
  1  17206.1000000              0.0000030        
  2   2992.5600000              0.0000170        
  3    736.9910000              0.0000800        
  4    205.5530000              0.0002670        
  5     33.2151000              0.0078690        
  6     20.6748000             -0.0601480        
  7     12.9128000              0.1800930        
  8      4.9296000             -0.3959580        
  9      3.0780000             -0.3043510        
 10      1.4330700              0.4631650        
 11      0.7850940              0.6506150        
 12      0.4109580              0.2611890        
 13      0.1635520              0.0193360        
 14      0.0831080             -0.0022600        
 15      0.0412910              0.0023790        
S   15
  1  17206.1000000             -0.0000010        
  2   2992.5600000             -0.0000060        
  3    736.9910000             -0.0000250        
  4    205.5530000             -0.0000930        
  5     33.2151000             -0.0022740        
  6     20.6748000              0.0180760        
  7     12.9128000             -0.0566300        
  8      4.9296000              0.1415000        
  9      3.0780000              0.0896770        
 10      1.4330700             -0.1820780        
 11      0.7850940             -0.3110970        
 12      0.4109580             -0.2195910        
 13      0.1635520              0.1661460        
 14      0.0831080              0.5216880        
 15      0.0412910              0.4406250        
S   15
  1  17206.1000000             -0.0000020        
  2   2992.5600000             -0.0000110        
  3    736.9910000             -0.0000590        
  4    205.5530000             -0.0001670        
  5     33.2151000             -0.0056120        
  6     20.6748000              0.0404370        
  7     12.9128000             -0.1218380        
  8      4.9296000              0.3175450        
  9      3.0780000              0.1761190        
 10      1.4330700             -0.4174700        
 11      0.7850940             -1.2362890        
 12      0.4109580              0.6215290        
 13      0.1635520              1.7319950        
 14      0.0831080             -0.4239580        
 15      0.0412910             -0.7662060        
S   15
  1  17206.1000000             -0.0000030        
  2   2992.5600000             -0.0000230        
  3    736.9910000             -0.0000720        
  4    205.5530000             -0.0003960        
  5     33.2151000             -0.0046100        
  6     20.6748000              0.0479370        
  7     12.9128000             -0.1744360        
  8      4.9296000              0.4931760        
  9      3.0780000              0.4993970        
 10      1.4330700             -1.9457120        
 11      0.7850940             -1.1774070        
 12      0.4109580              3.8949770        
 13      0.1635520             -1.4291270        
 14      0.0831080             -1.7103600        
 15      0.0412910              1.2744810        
S   15
  1  17206.1000000             -0.0000030        
  2   2992.5600000             -0.0000400        
  3    736.9910000             -0.0000510        
  4    205.5530000             -0.0007450        
  5     33.2151000              0.0014000        
  6     20.6748000              0.0362900        
  7     12.9128000             -0.2004820        
  8      4.9296000              0.6195120        
  9      3.0780000              1.2301670        
 10      1.4330700             -7.0589450        
 11      0.7850940              8.0335410        
 12      0.4109580             -1.7154560        
 13      0.1635520             -4.7009650        
 14      0.0831080              5.7932860        
 15      0.0412910             -1.9433410        
S   15
  1  17206.1000000              0.0000250        
  2   2992.5600000             -0.0001240        
  3    736.9910000              0.0012600        
  4    205.5530000             -0.0035430        
  5     33.2151000              0.1803670        
  6     20.6748000             -0.7581280        
  7     12.9128000              1.3999600        
  8      4.9296000             -5.0560170        
  9      3.0780000              5.9286850        
 10      1.4330700              2.6361380        
 11      0.7850940            -11.8324410        
 12      0.4109580             12.9918620        
 13      0.1635520            -10.5254010        
 14      0.0831080              6.9318900        
 15      0.0412910             -1.1637260        
S   1
  1      0.0206960              1.0000000        
S   1
  1      0.0104000              1.0000000        
P   12
  1    110.0940000              0.0001580        
  2     19.3763000             -0.0035820        
  3     12.1039000              0.0473040        
  4      7.5605900             -0.0901640        
  5      4.4880700             -0.1347230        
  6      1.8095700              0.2693510        
  7      1.0365700              0.4333910        
  8      0.5792180              0.3307410        
  9      0.3137450              0.1231930        
 10      0.1568500              0.0166350        
 11      0.0791520              0.0012880        
 12      0.0399360              0.0002620        
P   12
  1    110.0940000             -0.0000490        
  2     19.3763000              0.0010780        
  3     12.1039000             -0.0146590        
  4      7.5605900              0.0298090        
  5      4.4880700              0.0388170        
  6      1.8095700             -0.0965520        
  7      1.0365700             -0.1579670        
  8      0.5792180             -0.1427920        
  9      0.3137450              0.0305240        
 10      0.1568500              0.2884550        
 11      0.0791520              0.4457180        
 12      0.0399360              0.3220300        
P   12
  1    110.0940000             -0.0000790        
  2     19.3763000              0.0016840        
  3     12.1039000             -0.0237720        
  4      7.5605900              0.0481110        
  5      4.4880700              0.0666930        
  6      1.8095700             -0.1659810        
  7      1.0365700             -0.2832980        
  8      0.5792180             -0.2222080        
  9      0.3137450              0.2074440        
 10      0.1568500              0.5684030        
 11      0.0791520              0.3674650        
 12      0.0399360              0.0638710        
P   12
  1    110.0940000             -0.0001250        
  2     19.3763000              0.0020880        
  3     12.1039000             -0.0385470        
  4      7.5605900              0.0786910        
  5      4.4880700              0.1379870        
  6      1.8095700             -0.3919830        
  7      1.0365700             -0.7350740        
  8      0.5792180              0.2126760        
  9      0.3137450              1.2695030        
 10      0.1568500              0.0245080        
 11      0.0791520             -0.8141240        
 12      0.0399360             -0.1766070        
P   12
  1    110.0940000             -0.0002190        
  2     19.3763000              0.0039020        
  3     12.1039000             -0.0643300        
  4      7.5605900              0.1283100        
  5      4.4880700              0.2820210        
  6      1.8095700             -1.3761600        
  7      1.0365700             -0.5105690        
  8      0.5792180              2.7459000        
  9      0.3137450             -0.8167420        
 10      0.1568500             -1.6588020        
 11      0.0791520              0.9996640        
 12      0.0399360              0.3109130        
P   12
  1    110.0940000             -0.0010540        
  2     19.3763000              0.0402010        
  3     12.1039000             -0.2586290        
  4      7.5605900              0.5555950        
  5      4.4880700              0.1224290        
  6      1.8095700             -4.1679360        
  7      1.0365700              6.0659110        
  8      0.5792180             -1.9093600        
  9      0.3137450             -2.6276470        
 10      0.1568500              3.0442550        
 11      0.0791520             -0.8378840        
 12      0.0399360             -0.4207810        
P   1
  1      0.0198050              1.0000000        
P   1
  1      0.0098000              1.0000000        
D   10
  1    147.8790000              0.0000380        
  2     44.5973000              0.0003130        
  3     15.8122000              0.0024000        
  4      7.7441100             -0.0134860        
  5      2.4373000              0.0953100        
  6      1.3541800              0.2361570        
  7      0.7240750              0.3127100        
  8      0.3757400              0.2948200        
  9      0.1881510              0.2069870        
 10      0.0902200              0.0958940        
D   10
  1    147.8790000             -0.0000380        
  2     44.5973000             -0.0003480        
  3     15.8122000             -0.0024090        
  4      7.7441100              0.0140090        
  5      2.4373000             -0.1101300        
  6      1.3541800             -0.2888920        
  7      0.7240750             -0.3137240        
  8      0.3757400              0.0168230        
  9      0.1881510              0.4061120        
 10      0.0902200              0.4507060        
D   10
  1    147.8790000             -0.0000590        
  2     44.5973000             -0.0006690        
  3     15.8122000             -0.0036400        
  4      7.7441100              0.0229510        
  5      2.4373000             -0.2570080        
  6      1.3541800             -0.5438730        
  7      0.7240750              0.0003200        
  8      0.3757400              0.7907550        
  9      0.1881510              0.2692510        
 10      0.0902200             -0.5643750        
D   10
  1    147.8790000             -0.0002210        
  2     44.5973000              0.0001240        
  3     15.8122000             -0.0105590        
  4      7.7441100              0.0483530        
  5      2.4373000             -0.5085800        
  6      1.3541800             -0.7230890        
  7      0.7240750              1.4798980        
  8      0.3757400              0.0851340        
  9      0.1881510             -1.1676390        
 10      0.0902200              0.2485510        
D   10
  1    147.8790000              0.0004320        
  2     44.5973000             -0.0008250        
  3     15.8122000              0.0195710        
  4      7.7441100             -0.0868210        
  5      2.4373000              1.3937670        
  6      1.3541800             -0.9352970        
  7      0.7240750             -1.5827330        
  8      0.3757400              2.6826090        
  9      0.1881510             -1.3200450        
 10      0.0902200             -0.4836410        
D   1
  1      0.0403970              1.0000000        
D   1
  1      0.0181000              1.0000000        
F   1
  1      4.2418000              1.0000000        
F   1
  1      1.5614000              1.0000000        
F   1
  1      0.5748000              1.0000000        
F   1
  1      0.2116000              1.0000000        
F   1
  1      0.0779000              1.0000000        
G   1
  1      2.0938000              1.0000000        
G   1
  1      0.8341000              1.0000000        
G   1
  1      0.3322000              1.0000000        
G   1
  1      0.1284000              1.0000000        
H   1
  1      1.6854000              1.0000000        
H   1
  1      0.6024000              1.0000000        
H   1
  1      0.2422000              1.0000000        
I   1
  1      1.2796000              1.0000000        
I   1
  1      0.5725000              1.0000000        


name: aug-cc-pV5Z-PP
description: V5ZPD Valence Quintuple Zeta + Polarization on All Atoms
elt: Ru
data:
RUTHENIUM
S   15
  1  19299.8000000              0.0000030        
  2   3177.3700000              0.0000200        
  3    765.8330000              0.0000950        
  4    211.4960000              0.0003080        
  5     35.0757000              0.0083090        
  6     21.9030000             -0.0632120        
  7     13.6802000              0.1901360        
  8      5.3150900             -0.4067830        
  9      3.3134900             -0.3157160        
 10      1.5814300              0.4593270        
 11      0.8643690              0.6609700        
 12      0.4506120              0.2670720        
 13      0.1789360              0.0199530        
 14      0.0912570             -0.0021010        
 15      0.0451000              0.0026110        
S   15
  1  19299.8000000             -0.0000010        
  2   3177.3700000             -0.0000070        
  3    765.8330000             -0.0000300        
  4    211.4960000             -0.0001060        
  5     35.0757000             -0.0023580        
  6     21.9030000              0.0187130        
  7     13.6802000             -0.0590350        
  8      5.3150900              0.1438090        
  9      3.3134900              0.0917470        
 10      1.5814300             -0.1785050        
 11      0.8643690             -0.3084170        
 12      0.4506120             -0.2157970        
 13      0.1789360              0.1485450        
 14      0.0912570              0.4989270        
 15      0.0451000              0.4586780        
S   15
  1  19299.8000000             -0.0000020        
  2   3177.3700000             -0.0000140        
  3    765.8330000             -0.0000720        
  4    211.4960000             -0.0002090        
  5     35.0757000             -0.0060060        
  6     21.9030000              0.0437210        
  7     13.6802000             -0.1337450        
  8      5.3150900              0.3399780        
  9      3.3134900              0.2018620        
 10      1.5814300             -0.4762560        
 11      0.8643690             -1.2530110        
 12      0.4506120              0.6941080        
 13      0.1789360              1.6393940        
 14      0.0912570             -0.3814940        
 15      0.0451000             -0.7088780        
S   15
  1  19299.8000000             -0.0000030        
  2   3177.3700000             -0.0000270        
  3    765.8330000             -0.0000770        
  4    211.4960000             -0.0004640        
  5     35.0757000             -0.0034310        
  6     21.9030000              0.0435600        
  7     13.6802000             -0.1685750        
  8      5.3150900              0.4213160        
  9      3.3134900              0.6761790        
 10      1.5814300             -2.1415420        
 11      0.8643690             -0.9179220        
 12      0.4506120              3.5933410        
 13      0.1789360             -1.1992150        
 14      0.0912570             -1.7139110        
 15      0.0451000              1.0266150        
S   15
  1  19299.8000000              0.0000040        
  2   3177.3700000              0.0000430        
  3    765.8330000              0.0000790        
  4    211.4960000              0.0007840        
  5     35.0757000             -0.0002520        
  6     21.9030000             -0.0414040        
  7     13.6802000              0.2122220        
  8      5.3150900             -0.6129970        
  9      3.3134900             -1.3029140        
 10      1.5814300              6.8391020        
 11      0.8643690             -7.3342220        
 12      0.4506120              1.1444100        
 13      0.1789360              4.6239940        
 14      0.0912570             -4.9835290        
 15      0.0451000              0.9748290        
S   15
  1  19299.8000000              0.0000230        
  2   3177.3700000             -0.0000980        
  3    765.8330000              0.0012210        
  4    211.4960000             -0.0032650        
  5     35.0757000              0.1737770        
  6     21.9030000             -0.7367660        
  7     13.6802000              1.3965620        
  8      5.3150900             -4.9906930        
  9      3.3134900              5.7228190        
 10      1.5814300              2.9121610        
 11      0.8643690            -11.6124150        
 12      0.4506120             11.9740470        
 13      0.1789360             -8.5025420        
 14      0.0912570              4.2242350        
 15      0.0451000              0.7743310        
S   1
  1      0.0223550              1.0000000        
S   1
  1      0.0111000              1.0000000        
P   12
  1    117.2370000              0.0001710        
  2     20.7333000             -0.0037910        
  3     12.9507000              0.0494600        
  4      8.0899500             -0.0935020        
  5      4.8490800             -0.1382150        
  6      1.9778800              0.2683490        
  7      1.1455500              0.4277090        
  8      0.6482270              0.3304950        
  9      0.3551440              0.1309020        
 10      0.1744130              0.0189890        
 11      0.0869520              0.0007960        
 12      0.0431790              0.0004620        
P   12
  1    117.2370000             -0.0000510        
  2     20.7333000              0.0010780        
  3     12.9507000             -0.0146490        
  4      8.0899500              0.0296310        
  5      4.8490800              0.0382110        
  6      1.9778800             -0.0928960        
  7      1.1455500             -0.1473950        
  8      0.6482270             -0.1359030        
  9      0.3551440              0.0164930        
 10      0.1744130              0.2619010        
 11      0.0869520              0.4379230        
 12      0.0431790              0.3491360        
P   12
  1    117.2370000             -0.0000900        
  2     20.7333000              0.0017770        
  3     12.9507000             -0.0260710        
  4      8.0899500              0.0524460        
  5      4.8490800              0.0750510        
  6      1.9778800             -0.1829280        
  7      1.1455500             -0.3078280        
  8      0.6482270             -0.2185800        
  9      0.3551440              0.2422150        
 10      0.1744130              0.5764140        
 11      0.0869520              0.3424880        
 12      0.0431790              0.0576060        
P   12
  1    117.2370000             -0.0001290        
  2     20.7333000              0.0015970        
  3     12.9507000             -0.0386800        
  4      8.0899500              0.0772870        
  5      4.8490800              0.1607700        
  6      1.9778800             -0.4461050        
  7      1.1455500             -0.7576460        
  8      0.6482270              0.3046770        
  9      0.3551440              1.2331310        
 10      0.1744130             -0.0284230        
 11      0.0869520             -0.8005390        
 12      0.0431790             -0.1561480        
P   12
  1    117.2370000             -0.0002780        
  2     20.7333000              0.0057760        
  3     12.9507000             -0.0753300        
  4      8.0899500              0.1453890        
  5      4.8490800              0.3079470        
  6      1.9778800             -1.5692810        
  7      1.1455500             -0.2945160        
  8      0.6482270              2.7715630        
  9      0.3551440             -1.0011960        
 10      0.1744130             -1.5318570        
 11      0.0869520              1.0075060        
 12      0.0431790              0.2768800        
P   12
  1    117.2370000              0.0017130        
  2     20.7333000             -0.0706410        
  3     12.9507000              0.4067880        
  4      8.0899500             -0.8834800        
  5      4.8490800              0.1779200        
  6      1.9778800              4.3766540        
  7      1.1455500             -7.0040540        
  8      0.6482270              3.1071030        
  9      0.3551440              1.7303090        
 10      0.1744130             -2.5752480        
 11      0.0869520              0.7145120        
 12      0.0431790              0.4369110        
P   1
  1      0.0210170              1.0000000        
P   1
  1      0.0102000              1.0000000        
D   10
  1    126.3940000              0.0000620        
  2     38.4493000              0.0004470        
  3     14.0214000              0.0046720        
  4      8.7168300             -0.0197340        
  5      2.6814400              0.1027520        
  6      1.4904300              0.2437180        
  7      0.8005330              0.3148070        
  8      0.4157270              0.2913270        
  9      0.2077370              0.1999600        
 10      0.0994320              0.0897340        
D   10
  1    126.3940000             -0.0000650        
  2     38.4493000             -0.0004850        
  3     14.0214000             -0.0047640        
  4      8.7168300              0.0206400        
  5      2.6814400             -0.1179830        
  6      1.4904300             -0.3073060        
  7      0.8005330             -0.3048730        
  8      0.4157270              0.0527010        
  9      0.2077370              0.4182880        
 10      0.0994320              0.4296250        
D   10
  1    126.3940000             -0.0001260        
  2     38.4493000             -0.0006780        
  3     14.0214000             -0.0084960        
  4      8.7168300              0.0357220        
  5      2.6814400             -0.2630280        
  6      1.4904300             -0.5763400        
  7      0.8005330              0.0800930        
  8      0.4157270              0.7885720        
  9      0.2077370              0.2113330        
 10      0.0994320             -0.5603510        
D   10
  1    126.3940000             -0.0004320        
  2     38.4493000              0.0008930        
  3     14.0214000             -0.0265410        
  4      8.7168300              0.0806860        
  5      2.6814400             -0.6169190        
  6      1.4904300             -0.6312030        
  7      0.8005330              1.5959590        
  8      0.4157270             -0.1385200        
  9      0.2077370             -1.0618020        
 10      0.0994320              0.2800800        
D   10
  1    126.3940000              0.0007420        
  2     38.4493000             -0.0022720        
  3     14.0214000              0.0464760        
  4      8.7168300             -0.1390570        
  5      2.6814400              1.5532480        
  6      1.4904300             -1.3228490        
  7      0.8005330             -1.1972270        
  8      0.4157270              2.5728670        
  9      0.2077370             -1.4467020        
 10      0.0994320             -0.3538990        
D   1
  1      0.0445150              1.0000000        
D   1
  1      0.0199000              1.0000000        
F   1
  1      4.7448000              1.0000000        
F   1
  1      1.7724000              1.0000000        
F   1
  1      0.6621000              1.0000000        
F   1
  1      0.2473000              1.0000000        
F   1
  1      0.0921000              1.0000000        
G   1
  1      2.4116000              1.0000000        
G   1
  1      0.9824000              1.0000000        
G   1
  1      0.4002000              1.0000000        
G   1
  1      0.1590000              1.0000000        
H   1
  1      1.9595000              1.0000000        
H   1
  1      0.7182000              1.0000000        
H   1
  1      0.2989000              1.0000000        
I   1
  1      1.5211000              1.0000000        
I   1
  1      0.7186000              1.0000000        


name: aug-cc-pV5Z-PP
description: V5ZPD Valence Quintuple Zeta + Polarization on All Atoms
elt: Rh
data:
RHODIUM
S   15
  1  21832.7000000              0.0000030        
  2   3389.9700000              0.0000240        
  3    781.0700000              0.0001140        
  4    216.0190000              0.0003550        
  5     37.1478000              0.0085080        
  6     23.1083000             -0.0660950        
  7     14.4317000              0.2021170        
  8      5.8301800             -0.3922910        
  9      3.6414400             -0.3497620        
 10      1.7443600              0.4436390        
 11      0.9544830              0.6724460        
 12      0.4957220              0.2789020        
 13      0.1972170              0.0213410        
 14      0.1007830             -0.0021650        
 15      0.0493120              0.0028100        
S   15
  1  21832.7000000             -0.0000010        
  2   3389.9700000             -0.0000080        
  3    781.0700000             -0.0000360        
  4    216.0190000             -0.0001200        
  5     37.1478000             -0.0023870        
  6     23.1083000              0.0193000        
  7     14.4317000             -0.0618830        
  8      5.8301800              0.1369210        
  9      3.6414400              0.1016360        
 10      1.7443600             -0.1709760        
 11      0.9544830             -0.3020800        
 12      0.4957220             -0.2162190        
 13      0.1972170              0.1234140        
 14      0.1007830              0.4756350        
 15      0.0493120              0.4790980        
S   15
  1  21832.7000000             -0.0000020        
  2   3389.9700000             -0.0000170        
  3    781.0700000             -0.0000850        
  4    216.0190000             -0.0002460        
  5     37.1478000             -0.0059450        
  6     23.1083000              0.0447560        
  7     14.4317000             -0.1402840        
  8      5.8301800              0.3199220        
  9      3.6414400              0.2438410        
 10      1.7443600             -0.4808860        
 11      0.9544830             -1.2151130        
 12      0.4957220              0.6314320        
 13      0.1972170              1.5229110        
 14      0.1007830             -0.2015840        
 15      0.0493120             -0.6713180        
S   15
  1  21832.7000000             -0.0000030        
  2   3389.9700000             -0.0000290        
  3    781.0700000             -0.0000950        
  4    216.0190000             -0.0004910        
  5     37.1478000             -0.0035990        
  6     23.1083000              0.0443220        
  7     14.4317000             -0.1707100        
  8      5.8301800              0.3489400        
  9      3.6414400              0.7684870        
 10      1.7443600             -2.0291740        
 11      0.9544830             -0.9961410        
 12      0.4957220              3.2909150        
 13      0.1972170             -0.6266260        
 14      0.1007830             -1.9269000        
 15      0.0493120              0.7139260        
S   15
  1  21832.7000000              0.0000040        
  2   3389.9700000              0.0000480        
  3    781.0700000              0.0000980        
  4    216.0190000              0.0008910        
  5     37.1478000             -0.0014470        
  6     23.1083000             -0.0375770        
  7     14.4317000              0.2101840        
  8      5.8301800             -0.4611150        
  9      3.6414400             -1.6108260        
 10      1.7443600              6.8065790        
 11      0.9544830             -6.5983950        
 12      0.4957220              0.3159030        
 13      0.1972170              4.7149700        
 14      0.1007830             -4.2251970        
 15      0.0493120              0.1371840        
S   15
  1  21832.7000000              0.0000210        
  2   3389.9700000             -0.0000690        
  3    781.0700000              0.0012120        
  4    216.0190000             -0.0030230        
  5     37.1478000              0.1639110        
  6     23.1083000             -0.7163330        
  7     14.4317000              1.4184520        
  8      5.8301800             -4.7358790        
  9      3.6414400              4.9303180        
 10      1.7443600              4.0258820        
 11      0.9544830            -12.2373550        
 12      0.4957220             11.5918450        
 13      0.1972170             -7.0765130        
 14      0.1007830              2.2917410        
 15      0.0493120              1.9790030        
S   1
  1      0.0241430              1.0000000        
S   1
  1      0.0118000              1.0000000        
P   12
  1    126.8950000              0.0001770        
  2     22.1563000             -0.0038910        
  3     13.8416000              0.0512340        
  4      8.6498500             -0.0967430        
  5      5.2356500             -0.1392860        
  6      2.0960100              0.2960810        
  7      1.1856100              0.4480270        
  8      0.6548460              0.3157510        
  9      0.3507950              0.1047680        
 10      0.1768320              0.0124100        
 11      0.0893810              0.0014220        
 12      0.0449290              0.0000690        
P   12
  1    126.8950000              0.0000550        
  2     22.1563000             -0.0011520        
  3     13.8416000              0.0156510        
  4      8.6498500             -0.0316240        
  5      5.2356500             -0.0394170        
  6      2.0960100              0.1048950        
  7      1.1856100              0.1629630        
  8      0.6548460              0.1292980        
  9      0.3507950             -0.0504110        
 10      0.1768320             -0.2914830        
 11      0.0893810             -0.4350730        
 12      0.0449290             -0.3172440        
P   12
  1    126.8950000             -0.0000980        
  2     22.1563000              0.0018920        
  3     13.8416000             -0.0283260        
  4      8.6498500              0.0568270        
  5      5.2356500              0.0808640        
  6      2.0960100             -0.2178660        
  7      1.1856100             -0.3557870        
  8      0.6548460             -0.1484260        
  9      0.3507950              0.3299460        
 10      0.1768320              0.5494040        
 11      0.0893810              0.2856970        
 12      0.0449290              0.0470300        
P   12
  1    126.8950000             -0.0001270        
  2     22.1563000              0.0010390        
  3     13.8416000             -0.0381160        
  4      8.6498500              0.0742070        
  5      5.2356500              0.1808650        
  6      2.0960100             -0.5557710        
  7      1.1856100             -0.7574480        
  8      0.6548460              0.6581560        
  9      0.3507950              1.0716110        
 10      0.1768320             -0.2632840        
 11      0.0893810             -0.7078180        
 12      0.0449290             -0.1314850        
P   12
  1    126.8950000              0.0003070        
  2     22.1563000             -0.0066540        
  3     13.8416000              0.0820080        
  4      8.6498500             -0.1565480        
  5      5.2356500             -0.3241510        
  6      2.0960100              1.8842890        
  7      1.1856100             -0.4041380        
  8      0.6548460             -2.5452610        
  9      0.3507950              1.6096150        
 10      0.1768320              1.0050700        
 11      0.0893810             -0.9612990        
 12      0.0449290             -0.2291410        
P   12
  1    126.8950000              0.0027350        
  2     22.1563000             -0.1231310        
  3     13.8416000              0.6519300        
  4      8.6498500             -1.4266700        
  5      5.2356500              0.7856840        
  6      2.0960100              3.8575010        
  7      1.1856100             -7.3253360        
  8      0.6548460              4.8205480        
  9      0.3507950              0.0773280        
 10      0.1768320             -2.0257170        
 11      0.0893810              0.7522250        
 12      0.0449290              0.3812670        
P   1
  1      0.0221180              1.0000000        
P   1
  1      0.0109000              1.0000000        
D   10
  1    169.5310000              0.0000510        
  2     51.2417000              0.0004110        
  3     18.0404000              0.0030420        
  4      8.5880400             -0.0166720        
  5      2.9496700              0.1032810        
  6      1.6544200              0.2481940        
  7      0.8904260              0.3174060        
  8      0.4633730              0.2885080        
  9      0.2323630              0.1951360        
 10      0.1115080              0.0869160        
D   10
  1    169.5310000             -0.0000540        
  2     51.2417000             -0.0004690        
  3     18.0404000             -0.0032240        
  4      8.5880400              0.0181670        
  5      2.9496700             -0.1263380        
  6      1.6544200             -0.3264720        
  7      0.8904260             -0.2963840        
  8      0.4633730              0.0852360        
  9      0.2323630              0.4211570        
 10      0.1115080              0.4122960        
D   10
  1    169.5310000             -0.0001100        
  2     51.2417000             -0.0005680        
  3     18.0404000             -0.0059100        
  4      8.5880400              0.0317740        
  5      2.9496700             -0.2642410        
  6      1.6544200             -0.5975800        
  7      0.8904260              0.1355410        
  8      0.4633730              0.7913050        
  9      0.2323630              0.1657550        
 10      0.1115080             -0.5661660        
D   10
  1    169.5310000             -0.0003860        
  2     51.2417000              0.0006740        
  3     18.0404000             -0.0174990        
  4      8.5880400              0.0777310        
  5      2.9496700             -0.7081600        
  6      1.6544200             -0.5498590        
  7      0.8904260              1.6977800        
  8      0.4633730             -0.3294410        
  9      0.2323630             -0.9849480        
 10      0.1115080              0.3255790        
D   10
  1    169.5310000              0.0005000        
  2     51.2417000             -0.0007080        
  3     18.0404000              0.0238930        
  4      8.5880400             -0.1199090        
  5      2.9496700              1.7336230        
  6      1.6544200             -1.7712510        
  7      0.8904260             -0.7479950        
  8      0.4633730              2.4181170        
  9      0.2323630             -1.5548010        
 10      0.1115080             -0.2245550        
D   1
  1      0.0498560              1.0000000        
D   1
  1      0.0223000              1.0000000        
F   1
  1      5.3897000              1.0000000        
F   1
  1      2.0281000              1.0000000        
F   1
  1      0.7631000              1.0000000        
F   1
  1      0.2872000              1.0000000        
F   1
  1      0.1078000              1.0000000        
G   1
  1      2.7314000              1.0000000        
G   1
  1      1.1306000              1.0000000        
G   1
  1      0.4680000              1.0000000        
G   1
  1      0.1889000              1.0000000        
H   1
  1      2.2344000              1.0000000        
H   1
  1      0.8332000              1.0000000        
H   1
  1      0.3545000              1.0000000        
I   1
  1      1.7562000              1.0000000        
I   1
  1      0.8663000              1.0000000        


name: aug-cc-pV5Z-PP
description: V5ZPD Valence Quintuple Zeta + Polarization on All Atoms
elt: Pd
data:
PALLADIUM
S   15
  1  23205.8000000              0.0000040        
  2   3771.3900000              0.0000260        
  3    844.9990000              0.0001310        
  4    225.9440000              0.0004110        
  5     38.8963000              0.0090500        
  6     24.1744000             -0.0704390        
  7     15.0365000              0.2205020        
  8      6.3733900             -0.3870080        
  9      3.9804400             -0.3797990        
 10      1.9137000              0.4295680        
 11      1.0468500              0.6843810        
 12      0.5411240              0.2882870        
 13      0.2196040              0.0221970        
 14      0.1112430             -0.0015960        
 15      0.0534930              0.0027420        
S   15
  1  23205.8000000             -0.0000010        
  2   3771.3900000             -0.0000080        
  3    844.9990000             -0.0000400        
  4    225.9440000             -0.0001360        
  5     38.8963000             -0.0024860        
  6     24.1744000              0.0201470        
  7     15.0365000             -0.0662560        
  8      6.3733900              0.1325870        
  9      3.9804400              0.1092390        
 10      1.9137000             -0.1627670        
 11      1.0468500             -0.2960000        
 12      0.5411240             -0.2160960        
 13      0.2196040              0.0963740        
 14      0.1112430              0.4558370        
 15      0.0534930              0.4989750        
S   15
  1  23205.8000000             -0.0000030        
  2   3771.3900000             -0.0000180        
  3    844.9990000             -0.0000910        
  4    225.9440000             -0.0002830        
  5     38.8963000             -0.0057460        
  6     24.1744000              0.0444640        
  7     15.0365000             -0.1445380        
  8      6.3733900              0.2911970        
  9      3.9804400              0.2762860        
 10      1.9137000             -0.4601500        
 11      1.0468500             -1.1330410        
 12      0.5411240              0.4924230        
 13      0.2196040              1.3766480        
 14      0.1112430              0.0484350        
 15      0.0534930             -0.6259790        
S   15
  1  23205.8000000             -0.0000030        
  2   3771.3900000             -0.0000290        
  3    844.9990000             -0.0001140        
  4    225.9440000             -0.0005170        
  5     38.8963000             -0.0045640        
  6     24.1744000              0.0489840        
  7     15.0365000             -0.1846820        
  8      6.3733900              0.3146920        
  9      3.9804400              0.8163900        
 10      1.9137000             -1.8779410        
 11      1.0468500             -1.1420460        
 12      0.5411240              3.0474940        
 13      0.2196040             -0.1049950        
 14      0.1112430             -2.0487230        
 15      0.0534930              0.3851940        
S   15
  1  23205.8000000              0.0000050        
  2   3771.3900000              0.0000500        
  3    844.9990000              0.0001360        
  4    225.9440000              0.0009530        
  5     38.8963000              0.0001240        
  6     24.1744000             -0.0460830        
  7     15.0365000              0.2371650        
  8      6.3733900             -0.3984760        
  9      3.9804400             -1.8326780        
 10      1.9137000              6.8724880        
 11      1.0468500             -6.1783150        
 12      0.5411240             -0.2248680        
 13      0.2196040              4.6156480        
 14      0.1112430             -3.4660850        
 15      0.0534930             -0.4541080        
S   15
  1  23205.8000000              0.0000210        
  2   3771.3900000             -0.0000440        
  3    844.9990000              0.0011420        
  4    225.9440000             -0.0025270        
  5     38.8963000              0.1585010        
  6     24.1744000             -0.7129760        
  7     15.0365000              1.4991850        
  8      6.3733900             -4.6944470        
  9      3.9804400              4.5188420        
 10      1.9137000              4.6444410        
 11      1.0468500            -12.5365850        
 12      0.5411240             11.3925910        
 13      0.2196040             -6.2020290        
 14      0.1112430              1.0900570        
 15      0.0534930              2.5822440        
S   1
  1      0.0257800              1.0000000        
S   1
  1      0.0124000              1.0000000        
P   12
  1    135.2730000              0.0001860        
  2     23.0761000             -0.0042710        
  3     14.4134000              0.0572330        
  4      9.0041900             -0.1141790        
  5      5.4158400             -0.1393110        
  6      2.3507900              0.2759960        
  7      1.3344000              0.4534040        
  8      0.7335470              0.3309520        
  9      0.3901660              0.1132910        
 10      0.1885570              0.0133410        
 11      0.0914820              0.0008830        
 12      0.0443940              0.0001700        
P   12
  1    135.2730000              0.0000520        
  2     23.0761000             -0.0011170        
  3     14.4134000              0.0158880        
  4      9.0041900             -0.0339130        
  5      5.4158400             -0.0359330        
  6      2.3507900              0.0898220        
  7      1.3344000              0.1469780        
  8      0.7335470              0.1251760        
  9      0.3901660             -0.0286040        
 10      0.1885570             -0.2727070        
 11      0.0914820             -0.4437890        
 12      0.0443940             -0.3369100        
P   12
  1    135.2730000             -0.0001040        
  2     23.0761000              0.0019740        
  3     14.4134000             -0.0321810        
  4      9.0041900              0.0679970        
  5      5.4158400              0.0879620        
  6      2.3507900             -0.2180220        
  7      1.3344000             -0.3798210        
  8      0.7335470             -0.1555920        
  9      0.3901660              0.3620100        
 10      0.1885570              0.5655060        
 11      0.0914820              0.2574090        
 12      0.0443940              0.0354870        
P   12
  1    135.2730000             -0.0001310        
  2     23.0761000              0.0009520        
  3     14.4134000             -0.0422710        
  4      9.0041900              0.0863860        
  5      5.4158400              0.2024090        
  6      2.3507900             -0.5619670        
  7      1.3344000             -0.7866710        
  8      0.7335470              0.6594830        
  9      0.3901660              1.0680100        
 10      0.1885570             -0.3256270        
 11      0.0914820             -0.6924840        
 12      0.0443940             -0.0896270        
P   12
  1    135.2730000             -0.0003150        
  2     23.0761000              0.0070780        
  3     14.4134000             -0.0921880        
  4      9.0041900              0.1858700        
  5      5.4158400              0.3626280        
  6      2.3507900             -1.9075530        
  7      1.3344000              0.2850310        
  8      0.7335470              2.6540280        
  9      0.3901660             -1.6918510        
 10      0.1885570             -0.9002340        
 11      0.0914820              0.9919570        
 12      0.0443940              0.1504650        
P   12
  1    135.2730000              0.0026410        
  2     23.0761000             -0.1240410        
  3     14.4134000              0.6943910        
  4      9.0041900             -1.6053290        
  5      5.4158400              0.9787740        
  6      2.3507900              3.7381710        
  7      1.3344000             -7.0266130        
  8      0.7335470              4.4199910        
  9      0.3901660              0.2264390        
 10      0.1885570             -2.0342680        
 11      0.0914820              0.8948020        
 12      0.0443940              0.2625200        
P   1
  1      0.0213240              1.0000000        
P   1
  1      0.0102000              1.0000000        
D   10
  1    167.0870000              0.0000670        
  2     50.0032000              0.0005480        
  3     16.8214000              0.0048040        
  4      8.3725000             -0.0260080        
  5      3.2530000              0.1117880        
  6      1.8099900              0.2537740        
  7      0.9770620              0.3178150        
  8      0.5108750              0.2844650        
  9      0.2575330              0.1902230        
 10      0.1240940              0.0840140        
D   10
  1    167.0870000             -0.0000710        
  2     50.0032000             -0.0006690        
  3     16.8214000             -0.0050930        
  4      8.3725000              0.0289100        
  5      3.2530000             -0.1420360        
  6      1.8099900             -0.3472040        
  7      0.9770620             -0.2840980        
  8      0.5108750              0.1173250        
  9      0.2575330              0.4242370        
 10      0.1240940              0.3951490        
D   10
  1    167.0870000             -0.0001380        
  2     50.0032000             -0.0007620        
  3     16.8214000             -0.0090550        
  4      8.3725000              0.0494340        
  5      3.2530000             -0.2791340        
  6      1.8099900             -0.6165230        
  7      0.9770620              0.1959360        
  8      0.5108750              0.7916730        
  9      0.2575330              0.1203390        
 10      0.1240940             -0.5738380        
D   10
  1    167.0870000             -0.0004510        
  2     50.0032000              0.0004420        
  3     16.8214000             -0.0252640        
  4      8.3725000              0.1211200        
  5      3.2530000             -0.8240850        
  6      1.8099900             -0.4459430        
  7      0.9770620              1.7601450        
  8      0.5108750             -0.4859570        
  9      0.2575330             -0.9235150        
 10      0.1240940              0.3647560        
D   10
  1    167.0870000              0.0004100        
  2     50.0032000              0.0008160        
  3     16.8214000              0.0269820        
  4      8.3725000             -0.1669320        
  5      3.2530000              1.9129540        
  6      1.8099900             -2.1612950        
  7      0.9770620             -0.3296250        
  8      0.5108750              2.2594400        
  9      0.2575330             -1.6367960        
 10      0.1240940             -0.1129480        
D   1
  1      0.0555480              1.0000000        
D   1
  1      0.0249000              1.0000000        
F   1
  1      6.0582000              1.0000000        
F   1
  1      2.2929000              1.0000000        
F   1
  1      0.8678000              1.0000000        
F   1
  1      0.3284000              1.0000000        
F   1
  1      0.1244000              1.0000000        
G   1
  1      3.0536000              1.0000000        
G   1
  1      1.2845000              1.0000000        
G   1
  1      0.5403000              1.0000000        
G   1
  1      0.2229000              1.0000000        
H   1
  1      2.5202000              1.0000000        
H   1
  1      0.9498000              1.0000000        
H   1
  1      0.4101000              1.0000000        
I   1
  1      2.0051000              1.0000000        
I   1
  1      1.0311000              1.0000000        


name: aug-cc-pV5Z-PP
description: V5ZPD Valence Quintuple Zeta + Polarization on All Atoms
elt: Ag
data:
SILVER
S   15
  1  25508.1000000              0.0000040        
  2   3866.3000000              0.0000280        
  3    865.7950000              0.0001350        
  4    233.7790000              0.0004160        
  5     37.2712000              0.0127210        
  6     23.2321000             -0.1060860        
  7     14.4818000              0.3478570        
  8      7.3301500             -0.4498720        
  9      4.5473600             -0.4203070        
 10      2.0080500              0.4493320        
 11      1.1266200              0.6736920        
 12      0.5879060              0.2820160        
 13      0.2291650              0.0195830        
 14      0.1193530             -0.0022100        
 15      0.0574270              0.0027200        
S   15
  1  25508.1000000             -0.0000010        
  2   3866.3000000             -0.0000090        
  3    865.7950000             -0.0000390        
  4    233.7790000             -0.0001340        
  5     37.2712000             -0.0032320        
  6     23.2321000              0.0285990        
  7     14.4818000             -0.0993380        
  8      7.3301500              0.1440280        
  9      4.5473600              0.1160400        
 10      2.0080500             -0.1592840        
 11      1.1266200             -0.2796960        
 12      0.5879060             -0.2088490        
 13      0.2291650              0.0876200        
 14      0.1193530              0.4317620        
 15      0.0574270              0.5040820        
S   15
  1  25508.1000000             -0.0000020        
  2   3866.3000000             -0.0000170        
  3    865.7950000             -0.0000820        
  4    233.7790000             -0.0002540        
  5     37.2712000             -0.0069860        
  6     23.2321000              0.0587420        
  7     14.4818000             -0.2016470        
  8      7.3301500              0.2988210        
  9      4.5473600              0.2442880        
 10      2.0080500             -0.3773370        
 11      1.1266200             -0.9639450        
 12      0.5879060              0.3002400        
 13      0.2291650              1.2470290        
 14      0.1193530              0.2516930        
 15      0.0574270             -0.5123710        
S   15
  1  25508.1000000             -0.0000040        
  2   3866.3000000             -0.0000300        
  3    865.7950000             -0.0001270        
  4    233.7790000             -0.0004850        
  5     37.2712000             -0.0087960        
  6     23.2321000              0.0844370        
  7     14.4818000             -0.3097690        
  8      7.3301500              0.4106920        
  9      4.5473600              0.7069170        
 10      2.0080500             -1.6230910        
 11      1.1266200             -1.3670390        
 12      0.5879060              2.8875900        
 13      0.2291650              0.3739690        
 14      0.1193530             -2.0992070        
 15      0.0574270              0.0811730        
S   15
  1  25508.1000000              0.0000040        
  2   3866.3000000              0.0000500        
  3    865.7950000              0.0001230        
  4    233.7790000              0.0009330        
  5     37.2712000              0.0002690        
  6     23.2321000             -0.0650020        
  7     14.4818000              0.3349260        
  8      7.3301500             -0.3194330        
  9      4.5473600             -1.8296210        
 10      2.0080500              6.6173400        
 11      1.1266200             -5.7144920        
 12      0.5879060             -0.6955270        
 13      0.2291650              4.6598300        
 14      0.1193530             -3.0805350        
 15      0.0574270             -0.9140990        
S   15
  1  25508.1000000              0.0000170        
  2   3866.3000000             -0.0000190        
  3    865.7950000              0.0009450        
  4    233.7790000             -0.0016800        
  5     37.2712000              0.1524090        
  6     23.2321000             -0.7759530        
  7     14.4818000              1.9303510        
  8      7.3301500             -4.2339830        
  9      4.5473600              2.6067280        
 10      2.0080500              7.2255220        
 11      1.1266200            -14.6194840        
 12      0.5879060             11.5983870        
 13      0.2291650             -5.3179280        
 14      0.1193530              0.0988350        
 15      0.0574270              3.1887390        
S   1
  1      0.0274470              1.0000000        
S   1
  1      0.0131000              1.0000000        
P   12
  1    260.3710000              0.0000690        
  2     41.8770000              0.0022080        
  3     26.0818000             -0.0147130        
  4     16.2999000              0.0615000        
  5      7.3321200             -0.2486090        
  6      3.6115300             -0.0118610        
  7      2.2577400              0.4010540        
  8      1.1956300              0.4854900        
  9      0.6173070              0.2548630        
 10      0.2882140              0.0438670        
 11      0.1338710              0.0004240        
 12      0.0606670              0.0010760        
P   12
  1    260.3710000             -0.0000210        
  2     41.8770000             -0.0004160        
  3     26.0818000              0.0031050        
  4     16.2999000             -0.0149150        
  5      7.3321200              0.0668090        
  6      3.6115300             -0.0026860        
  7      2.2577400             -0.1167180        
  8      1.1956300             -0.1647480        
  9      0.6173070             -0.0798760        
 10      0.2882140              0.1495800        
 11      0.1338710              0.4198200        
 12      0.0606670              0.4512040        
P   12
  1    260.3710000             -0.0000430        
  2     41.8770000             -0.0008860        
  3     26.0818000              0.0065390        
  4     16.2999000             -0.0310780        
  5      7.3321200              0.1388240        
  6      3.6115300              0.0073970        
  7      2.2577400             -0.2866860        
  8      1.1956300             -0.3796850        
  9      0.6173070              0.0463330        
 10      0.2882140              0.5493950        
 11      0.1338710              0.4688010        
 12      0.0606670              0.1012000        
P   12
  1    260.3710000             -0.0000760        
  2     41.8770000             -0.0015200        
  3     26.0818000              0.0113040        
  4     16.2999000             -0.0549030        
  5      7.3321200              0.2531400        
  6      3.6115300              0.0793900        
  7      2.2577400             -0.8748950        
  8      1.1956300             -0.4976100        
  9      0.6173070              1.2448050        
 10      0.2882140              0.5008560        
 11      0.1338710             -0.8438290        
 12      0.0606670             -0.2683590        
P   12
  1    260.3710000              0.0001220        
  2     41.8770000              0.0020380        
  3     26.0818000             -0.0168560        
  4     16.2999000              0.0870650        
  5      7.3321200             -0.4436140        
  6      3.6115300             -0.0954220        
  7      2.2577400              2.4160670        
  8      1.1956300             -1.9911940        
  9      0.6173070             -1.0682060        
 10      0.2882140              2.2401820        
 11      0.1338710             -0.6925270        
 12      0.0606670             -0.5043030        
P   12
  1    260.3710000             -0.0002500        
  2     41.8770000              0.0290440        
  3     26.0818000             -0.1328380        
  4     16.2999000              0.3460190        
  5      7.3321200             -1.5383300        
  6      3.6115300              3.6966010        
  7      2.2577400             -0.9815190        
  8      1.1956300             -4.0384050        
  9      0.6173070              4.6615100        
 10      0.2882140             -2.0830800        
 11      0.1338710             -0.3652860        
 12      0.0606670              0.8759320        
P   1
  1      0.0269870              1.0000000        
P   1
  1      0.0120000              1.0000000        
D   10
  1    210.1510000              0.0000520        
  2     63.2213000              0.0004340        
  3     22.1947000              0.0029780        
  4      9.1637800             -0.0210360        
  5      3.6926500              0.0894730        
  6      2.1724700              0.2311140        
  7      1.2150400              0.3114170        
  8      0.6545310              0.2939390        
  9      0.3396100              0.2033710        
 10      0.1684380              0.0909880        
D   10
  1    210.1510000             -0.0000660        
  2     63.2213000             -0.0005960        
  3     22.1947000             -0.0037550        
  4      9.1637800              0.0277510        
  5      3.6926500             -0.1382930        
  6      2.1724700             -0.3844080        
  7      1.2150400             -0.3282910        
  8      0.6545310              0.1446150        
  9      0.3396100              0.4584850        
 10      0.1684380              0.3562670        
D   10
  1    210.1510000             -0.0001370        
  2     63.2213000             -0.0004700        
  3     22.1947000             -0.0067560        
  4      9.1637800              0.0471090        
  5      3.6926500             -0.2590530        
  6      2.1724700             -0.6886270        
  7      1.2150400              0.2530610        
  8      0.6545310              0.8530670        
  9      0.3396100              0.0652370        
 10      0.1684380             -0.6296830        
D   10
  1    210.1510000             -0.0004150        
  2     63.2213000              0.0006290        
  3     22.1947000             -0.0178470        
  4      9.1637800              0.1162800        
  5      3.6926500             -0.8457040        
  6      2.1724700             -0.5895720        
  7      1.2150400              2.0652320        
  8      0.6545310             -0.6109170        
  9      0.3396100             -1.0511820        
 10      0.1684380              0.5253630        
D   10
  1    210.1510000              0.0003520        
  2     63.2213000              0.0007750        
  3     22.1947000              0.0185820        
  4      9.1637800             -0.1729500        
  5      3.6926500              2.3357180        
  6      2.1724700             -2.8172180        
  7      1.2150400             -0.1337660        
  8      0.6545310              2.5210640        
  9      0.3396100             -1.9791920        
 10      0.1684380              0.0719550        
D   1
  1      0.0778390              1.0000000        
D   1
  1      0.0360000              1.0000000        
F   1
  1      6.8653000              1.0000000        
F   1
  1      2.6130000              1.0000000        
F   1
  1      0.9945000              1.0000000        
F   1
  1      0.3785000              1.0000000        
F   1
  1      0.1448000              1.0000000        
G   1
  1      3.4082000              1.0000000        
G   1
  1      1.4573000              1.0000000        
G   1
  1      0.6232000              1.0000000        
G   1
  1      0.2596000              1.0000000        
H   1
  1      2.8332000              1.0000000        
H   1
  1      1.0814000              1.0000000        
H   1
  1      0.4758000              1.0000000        
I   1
  1      2.2640000              1.0000000        
I   1
  1      1.2082000              1.0000000        


name: aug-cc-pV5Z-PP
description: V5ZPD Valence Quintuple Zeta + Polarization on All Atoms
elt: Cd
data:
CADMIUM
S   15
  1  27436.6000000              0.0000050        
  2   3908.4100000              0.0000360        
  3    873.4940000              0.0001700        
  4    240.9660000              0.0005020        
  5     40.1547000              0.0127020        
  6     24.9336000             -0.1035310        
  7     15.5229000              0.3364200        
  8      7.5728300             -0.4851990        
  9      4.7268900             -0.3783880        
 10      2.0631900              0.5224540        
 11      1.1298200              0.6637710        
 12      0.5872270              0.2282000        
 13      0.2363260              0.0114000        
 14      0.1190290             -0.0014050        
 15      0.0575930              0.0004300        
S   15
  1  27436.6000000             -0.0000010        
  2   3908.4100000             -0.0000110        
  3    873.4940000             -0.0000500        
  4    240.9660000             -0.0001630        
  5     40.1547000             -0.0032580        
  6     24.9336000              0.0280860        
  7     15.5229000             -0.0967480        
  8      7.5728300              0.1571350        
  9      4.7268900              0.1024990        
 10      2.0631900             -0.1865410        
 11      1.1298200             -0.2931460        
 12      0.5872270             -0.1881750        
 13      0.2363260              0.1461350        
 14      0.1190290              0.4696640        
 15      0.0575930              0.4688420        
S   15
  1  27436.6000000             -0.0000040        
  2   3908.4100000             -0.0000300        
  3    873.4940000             -0.0001410        
  4    240.9660000             -0.0004170        
  5     40.1547000             -0.0094010        
  6     24.9336000              0.0769120        
  7     15.5229000             -0.2625420        
  8      7.5728300              0.4359870        
  9      4.7268900              0.3210280        
 10      2.0631900             -0.8122860        
 11      1.1298200             -1.1743820        
 12      0.5872270              1.0056440        
 13      0.2363260              1.4442850        
 14      0.1190290             -0.4737790        
 15      0.0575930             -0.6115230        
S   15
  1  27436.6000000              0.0000050        
  2   3908.4100000              0.0000440        
  3    873.4940000              0.0001880        
  4    240.9660000              0.0006600        
  5     40.1547000              0.0102790        
  6     24.9336000             -0.0949060        
  7     15.5229000              0.3459450        
  8      7.5728300             -0.5089720        
  9      4.7268900             -0.9101160        
 10      2.0631900              3.1543360        
 11      1.1298200             -0.4410900        
 12      0.5872270             -3.3567240        
 13      0.2363260              2.1849250        
 14      0.1190290              0.8653930        
 15      0.0575930             -1.0763220        
S   15
  1  27436.6000000              0.0000110        
  2   3908.4100000              0.0000370        
  3    873.4940000              0.0005380        
  4    240.9660000             -0.0000070        
  5     40.1547000              0.0603180        
  6     24.9336000             -0.3399990        
  7     15.5229000              0.9281550        
  8      7.5728300             -1.8591730        
  9      4.7268900             -0.2801740        
 10      2.0631900              8.2506400        
 11      1.1298200            -12.0499770        
 12      0.5872270              6.2942470        
 13      0.2363260              1.0740050        
 14      0.1190290             -3.6683230        
 15      0.0575930              1.7381910        
S   15
  1  27436.6000000              0.0000370        
  2   3908.4100000             -0.0001320        
  3    873.4940000              0.0024830        
  4    240.9660000             -0.0065150        
  5     40.1547000              0.3870050        
  6     24.9336000             -1.8211490        
  7     15.5229000              4.1013790        
  8      7.5728300            -10.8420120        
  9      4.7268900             12.7409230        
 10      2.0631900             -5.1541990        
 11      1.1298200             -3.4644710        
 12      0.5872270              8.9259320        
 13      0.2363260            -10.6562160        
 14      0.1190290              9.0099110        
 15      0.0575930             -3.2748060        
S   1
  1      0.0277550              1.0000000        
S   1
  1      0.0134000              1.0000000        
P   12
  1    323.2680000              0.0000660        
  2     63.5891000              0.0006790        
  3     28.2035000             -0.0084230        
  4     17.5936000              0.0503170        
  5      8.2024800             -0.2028140        
  6      5.1107900             -0.0532690        
  7      2.5359300              0.3654550        
  8      1.3583900              0.4938280        
  9      0.7055230              0.2777250        
 10      0.3383690              0.0520750        
 11      0.1513800              0.0016680        
 12      0.0663680              0.0008590        
P   12
  1    323.2680000             -0.0000180        
  2     63.5891000             -0.0001490        
  3     28.2035000              0.0018740        
  4     17.5936000             -0.0123180        
  5      8.2024800              0.0544420        
  6      5.1107900              0.0093530        
  7      2.5359300             -0.1069270        
  8      1.3583900             -0.1532950        
  9      0.7055230             -0.0952330        
 10      0.3383690              0.1139870        
 11      0.1513800              0.4051120        
 12      0.0663680              0.4787540        
P   12
  1    323.2680000             -0.0000370        
  2     63.5891000             -0.0002500        
  3     28.2035000              0.0033640        
  4     17.5936000             -0.0232440        
  5      8.2024800              0.1021120        
  6      5.1107900              0.0308760        
  7      2.5359300             -0.2370240        
  8      1.3583900             -0.3339430        
  9      0.7055230             -0.0657160        
 10      0.3383690              0.4686380        
 11      0.1513800              0.5646730        
 12      0.0663680              0.1388640        
P   12
  1    323.2680000              0.0000750        
  2     63.5891000              0.0003980        
  3     28.2035000             -0.0057820        
  4     17.5936000              0.0433640        
  5      8.2024800             -0.1923230        
  6      5.1107900             -0.1152710        
  7      2.5359300              0.7466690        
  8      1.3583900              0.6295210        
  9      0.7055230             -1.0489700        
 10      0.3383690             -0.7581520        
 11      0.1513800              0.7903170        
 12      0.0663680              0.3390040        
P   12
  1    323.2680000              0.0001040        
  2     63.5891000              0.0007300        
  3     28.2035000             -0.0101520        
  4     17.5936000              0.0715170        
  5      8.2024800             -0.3380230        
  6      5.1107900             -0.2023430        
  7      2.5359300              2.2073870        
  8      1.3583900             -1.3076250        
  9      0.7055230             -1.7517320        
 10      0.3383690              2.2717260        
 11      0.1513800             -0.3680670        
 12      0.0663680             -0.6504470        
P   12
  1    323.2680000              0.0004590        
  2     63.5891000             -0.0137780        
  3     28.2035000              0.1210560        
  4     17.5936000             -0.3918450        
  5      8.2024800              1.7758150        
  6      5.1107900             -2.1445560        
  7      2.5359300             -1.8817220        
  8      1.3583900              5.5206530        
  9      0.7055230             -4.8059090        
 10      0.3383690              1.4522180        
 11      0.1513800              0.9494530        
 12      0.0663680             -1.0871290        
P   1
  1      0.0286620              1.0000000        
P   1
  1      0.0124000              1.0000000        
D   10
  1    218.4830000              0.0000650        
  2     66.0856000              0.0005290        
  3     23.4767000              0.0035540        
  4     10.7919000             -0.0179510        
  5      3.9868400              0.1024190        
  6      2.2758000              0.2560070        
  7      1.2538100              0.3240110        
  8      0.6747590              0.2838860        
  9      0.3548570              0.1777130        
 10      0.1809700              0.0690630        
D   10
  1    218.4830000             -0.0000970        
  2     66.0856000             -0.0007610        
  3     23.4767000             -0.0051260        
  4     10.7919000              0.0266220        
  5      3.9868400             -0.1831690        
  6      2.2758000             -0.4777630        
  7      1.2538100             -0.2557580        
  8      0.6747590              0.3026490        
  9      0.3548570              0.4657800        
 10      0.1809700              0.2503160        
D   10
  1    218.4830000              0.0002240        
  2     66.0856000              0.0001890        
  3     23.4767000              0.0103380        
  4     10.7919000             -0.0485980        
  5      3.9868400              0.3396490        
  6      2.2758000              0.6937940        
  7      1.2538100             -0.5948220        
  8      0.6747590             -0.7538480        
  9      0.3548570              0.1934390        
 10      0.1809700              0.6360650        
D   10
  1    218.4830000             -0.0005500        
  2     66.0856000              0.0011980        
  3     23.4767000             -0.0240170        
  4     10.7919000              0.1100430        
  5      3.9868400             -0.9701910        
  6      2.2758000             -0.2134990        
  7      1.2538100              2.0135070        
  8      0.6747590             -1.0556350        
  9      0.3548570             -0.8484480        
 10      0.1809700              0.6878900        
D   10
  1    218.4830000             -0.0002590        
  2     66.0856000             -0.0019310        
  3     23.4767000             -0.0166050        
  4     10.7919000              0.1247370        
  5      3.9868400             -2.2613790        
  6      2.2758000              3.1601810        
  7      1.2538100             -0.6317200        
  8      0.6747590             -2.1371480        
  9      0.3548570              2.2270340        
 10      0.1809700             -0.3921130        
D   1
  1      0.0870760              1.0000000        
D   1
  1      0.0419000              1.0000000        
F   1
  1      7.7498000              1.0000000        
F   1
  1      2.9569000              1.0000000        
F   1
  1      1.1282000              1.0000000        
F   1
  1      0.4305000              1.0000000        
F   1
  1      0.1669000              1.0000000        
G   1
  1      3.7971000              1.0000000        
G   1
  1      1.6322000              1.0000000        
G   1
  1      0.7016000              1.0000000        
G   1
  1      0.2957000              1.0000000        
H   1
  1      3.1822000              1.0000000        
H   1
  1      1.2197000              1.0000000        
H   1
  1      0.5447000              1.0000000        
I   1
  1      2.5498000              1.0000000        
I   1
  1      1.4003000              1.0000000        


name: aug-cc-pV5Z-PP
description: V5ZPD Valence Quintuple Zeta + Polarization on All Atoms
elt: In
data:
INDIUM
S   11
  1  23226.5000000              0.0000060        
  2   3635.5400000              0.0000400        
  3    862.5840000              0.0001740        
  4    246.6930000              0.0004750        
  5     46.3849000              0.0077520        
  6     27.0364000             -0.0817480        
  7     16.7272000              0.2960130        
  8      8.3890400             -0.3606080        
  9      5.2364700             -0.5234820        
 10      2.8696600              0.2712000        
 11      1.5386800              0.7659270        
S   11
  1  23226.5000000             -0.0000020        
  2   3635.5400000             -0.0000140        
  3    862.5840000             -0.0000590        
  4    246.6930000             -0.0001760        
  5     46.3849000             -0.0022770        
  6     27.0364000              0.0255530        
  7     16.7272000             -0.0981890        
  8      8.3890400              0.1379040        
  9      5.2364700              0.1693530        
 10      2.8696600             -0.1105590        
 11      1.5386800             -0.3444540        
S   1
  1      0.7910200              1.0000000        
S   1
  1      0.3111880              1.0000000        
S   1
  1      0.1791140              1.0000000        
S   1
  1      0.0848660              1.0000000        
S   1
  1      0.0391490              1.0000000        
S   1
  1      0.0149000              1.0000000        
P   8
  1    306.9880000              0.0000780        
  2     51.1659000              0.0020370        
  3     31.9605000             -0.0117730        
  4     19.9080000              0.0469550        
  5      8.2245100             -0.2358350        
  6      4.4523400             -0.0048270        
  7      2.5254500              0.4290200        
  8      1.3169800              0.5023400        
P   8
  1    306.9880000             -0.0000200        
  2     51.1659000             -0.0003580        
  3     31.9605000              0.0021900        
  4     19.9080000             -0.0098370        
  5      8.2245100              0.0550350        
  6      4.4523400             -0.0053810        
  7      2.5254500             -0.1056280        
  8      1.3169800             -0.1394910        
P   1
  1      0.6633140              1.0000000        
P   1
  1      0.2883470              1.0000000        
P   1
  1      0.1300600              1.0000000        
P   1
  1      0.0576000              1.0000000        
P   1
  1      0.0252850              1.0000000        
P   1
  1      0.0087000              1.0000000        
D   9
  1    608.1530000              0.0000090        
  2    185.8550000              0.0000780        
  3     74.0897000              0.0004030        
  4     30.3368000              0.0022870        
  5     12.5122000             -0.0144790        
  6      5.2219900              0.0375860        
  7      3.2414000              0.1876030        
  8      1.8445200              0.3128050        
  9      1.0139400              0.3213200        
D   1
  1      0.5454830              1.0000000        
D   1
  1      0.2866790              1.0000000        
D   1
  1      0.1447350              1.0000000        
D   1
  1      0.0627000              1.0000000        
D   1
  1      0.0227000              1.0000000        
F   1
  1      0.4871000              1.0000000        
F   1
  1      0.2400000              1.0000000        
F   1
  1      0.1182000              1.0000000        
F   1
  1      0.0465000              1.0000000        
G   1
  1      0.4878000              1.0000000        
G   1
  1      0.2294000              1.0000000        
G   1
  1      0.0969000              1.0000000        
H   1
  1      0.4218000              1.0000000        
H   1
  1      0.2057000              1.0000000        


name: aug-cc-pV5Z-PP
description: V5ZPD Valence Quintuple Zeta + Polarization on All Atoms
elt: Sn
data:
TIN
S   11
  1  41524.9000000              0.0000060        
  2   6000.7500000              0.0000480        
  3   1326.3100000              0.0002400        
  4    363.7110000              0.0007770        
  5     97.9293000              0.0018850        
  6     30.0010000             -0.0402990        
  7     18.7349000              0.1883810        
  8      9.1043300             -0.2212780        
  9      5.5714300             -0.5997290        
 10      3.3742800              0.2466100        
 11      1.6921300              0.7830120        
S   11
  1  41524.9000000             -0.0000020        
  2   6000.7500000             -0.0000190        
  3   1326.3100000             -0.0000940        
  4    363.7110000             -0.0003130        
  5     97.9293000             -0.0007070        
  6     30.0010000              0.0144380        
  7     18.7349000             -0.0710470        
  8      9.1043300              0.1007630        
  9      5.5714300              0.2248780        
 10      3.3742800             -0.1227210        
 11      1.6921300             -0.3891720        
S   1
  1      0.8754970              1.0000000        
S   1
  1      0.3705530              1.0000000        
S   1
  1      0.2052470              1.0000000        
S   1
  1      0.0996540              1.0000000        
S   1
  1      0.0470050              1.0000000        
S   1
  1      0.0199000              1.0000000        
P   8
  1    484.0730000              0.0000660        
  2    107.9790000              0.0004420        
  3     36.0268000             -0.0032360        
  4     22.4952000              0.0263630        
  5      9.4056500             -0.1539330        
  6      5.8779100             -0.0758040        
  7      2.9250900              0.3723880        
  8      1.5499000              0.5203090        
P   8
  1    484.0730000             -0.0000190        
  2    107.9790000             -0.0001210        
  3     36.0268000              0.0008090        
  4     22.4952000             -0.0070820        
  5      9.4056500              0.0459760        
  6      5.8779100              0.0138370        
  7      2.9250900             -0.1161060        
  8      1.5499000             -0.1687050        
P   1
  1      0.7940910              1.0000000        
P   1
  1      0.3640900              1.0000000        
P   1
  1      0.1708260              1.0000000        
P   1
  1      0.0780380              1.0000000        
P   1
  1      0.0348330              1.0000000        
P   1
  1      0.0142000              1.0000000        
D   9
  1    664.3080000              0.0000100        
  2    207.9720000              0.0000880        
  3     81.1454000              0.0004880        
  4     33.1164000              0.0025780        
  5     13.7707000             -0.0126880        
  6      6.2054200              0.0342470        
  7      3.6403300              0.1897620        
  8      2.0641100              0.3204930        
  9      1.1405200              0.3274000        
D   1
  1      0.6180670              1.0000000        
D   1
  1      0.3262520              1.0000000        
D   1
  1      0.1656920              1.0000000        
D   1
  1      0.0754000              1.0000000        
D   1
  1      0.0308000              1.0000000        
F   1
  1      0.5251000              1.0000000        
F   1
  1      0.2663000              1.0000000        
F   1
  1      0.1351000              1.0000000        
F   1
  1      0.0599000              1.0000000        
G   1
  1      0.5325000              1.0000000        
G   1
  1      0.2542000              1.0000000        
G   1
  1      0.1179000              1.0000000        
H   1
  1      0.4681000              1.0000000        
H   1
  1      0.2501000              1.0000000        


name: aug-cc-pV5Z-PP
description: V5ZPD Valence Quintuple Zeta + Polarization on All Atoms
elt: Sb
data:
ANTIMONY
S   11
  1  33072.9000000              0.0000110        
  2   5025.3400000              0.0000840        
  3   1152.3600000              0.0003940        
  4    324.1960000              0.0011820        
  5     85.8607000              0.0028700        
  6     27.6760000             -0.0696230        
  7     17.2890000              0.3522220        
  8     10.4866000             -0.3578770        
  9      5.9297700             -0.6419650        
 10      3.7029000              0.2554680        
 11      1.8529800              0.7898580        
S   11
  1  33072.9000000             -0.0000050        
  2   5025.3400000             -0.0000360        
  3   1152.3600000             -0.0001650        
  4    324.1960000             -0.0005160        
  5     85.8607000             -0.0011170        
  6     27.6760000              0.0259750        
  7     17.2890000             -0.1400980        
  8     10.4866000              0.1623690        
  9      5.9297700              0.2485120        
 10      3.7029000             -0.1210240        
 11      1.8529800             -0.4192720        
S   1
  1      0.9803990              1.0000000        
S   1
  1      0.4387490              1.0000000        
S   1
  1      0.2455130              1.0000000        
S   1
  1      0.1207110              1.0000000        
S   1
  1      0.0574520              1.0000000        
S   1
  1      0.0240000              1.0000000        
P   8
  1    457.9840000              0.0000810        
  2    101.9180000              0.0005270        
  3     30.5679000             -0.0068360        
  4     19.1002000              0.0604270        
  5      9.7255700             -0.2305800        
  6      6.0763700             -0.0447360        
  7      3.0330600              0.4044060        
  8      1.6258100              0.5166630        
P   8
  1    457.9840000             -0.0000260        
  2    101.9180000             -0.0001500        
  3     30.5679000              0.0017310        
  4     19.1002000             -0.0174470        
  5      9.7255700              0.0738980        
  6      6.0763700              0.0038840        
  7      3.0330600             -0.1356280        
  8      1.6258100             -0.1942500        
P   1
  1      0.8500760              1.0000000        
P   1
  1      0.4008310              1.0000000        
P   1
  1      0.1950610              1.0000000        
P   1
  1      0.0923680              1.0000000        
P   1
  1      0.0424560              1.0000000        
P   1
  1      0.0175000              1.0000000        
D   9
  1    681.4100000              0.0000120        
  2    208.4790000              0.0001150        
  3     81.4487000              0.0006280        
  4     33.6360000              0.0030890        
  5     12.9671000             -0.0155390        
  6      7.0605500              0.0295200        
  7      4.0031000              0.1904230        
  8      2.2791300              0.3254420        
  9      1.2738500              0.3308710        
D   1
  1      0.6997310              1.0000000        
D   1
  1      0.3737590              1.0000000        
D   1
  1      0.1903860              1.0000000        
D   1
  1      0.0892000              1.0000000        
D   1
  1      0.0368000              1.0000000        
F   1
  1      0.5731000              1.0000000        
F   1
  1      0.3011000              1.0000000        
F   1
  1      0.1582000              1.0000000        
F   1
  1      0.0667000              1.0000000        
G   1
  1      0.5896000              1.0000000        
G   1
  1      0.2885000              1.0000000        
G   1
  1      0.1284000              1.0000000        
H   1
  1      0.5236000              1.0000000        
H   1
  1      0.2615000              1.0000000        


name: aug-cc-pV5Z-PP
description: V5ZPD Valence Quintuple Zeta + Polarization on All Atoms
elt: Te
data:
TELLURIUM
S   11
  1  40797.2000000              0.0000170        
  2   6127.0900000              0.0001270        
  3   1389.1500000              0.0006160        
  4    387.4630000              0.0019490        
  5    113.3550000              0.0036970        
  6     28.3246000             -0.0634120        
  7     17.7003000              0.3663950        
  8     11.0610000             -0.3902080        
  9      6.2078500             -0.6311370        
 10      3.8784800              0.2546080        
 11      1.9881800              0.7861460        
S   11
  1  40797.2000000             -0.0000080        
  2   6127.0900000             -0.0000600        
  3   1389.1500000             -0.0002860        
  4    387.4630000             -0.0009300        
  5    113.3550000             -0.0016670        
  6     28.3246000              0.0248270        
  7     17.7003000             -0.1551980        
  8     11.0610000              0.1884320        
  9      6.2078500              0.2568490        
 10      3.8784800             -0.1275780        
 11      1.9881800             -0.4490950        
S   1
  1      1.0735600              1.0000000        
S   1
  1      0.5093220              1.0000000        
S   1
  1      0.2801250              1.0000000        
S   1
  1      0.1391010              1.0000000        
S   1
  1      0.0661510              1.0000000        
S   1
  1      0.0271000              1.0000000        
P   8
  1    516.0760000              0.0000930        
  2    118.0290000              0.0005840        
  3     30.8754000             -0.0052630        
  4     19.2977000              0.0644520        
  5     10.4824000             -0.2263180        
  6      6.3011000             -0.0634930        
  7      3.3279000              0.3913600        
  8      1.7979300              0.5260480        
P   8
  1    516.0760000             -0.0000320        
  2    118.0290000             -0.0001870        
  3     30.8754000              0.0013200        
  4     19.2977000             -0.0201290        
  5     10.4824000              0.0787750        
  6      6.3011000              0.0096720        
  7      3.3279000             -0.1421820        
  8      1.7979300             -0.2187870        
P   1
  1      0.9501290              1.0000000        
P   1
  1      0.4555780              1.0000000        
P   1
  1      0.2208730              1.0000000        
P   1
  1      0.1036080              1.0000000        
P   1
  1      0.0471160              1.0000000        
P   1
  1      0.0199000              1.0000000        
D   9
  1    688.2210000              0.0000160        
  2    207.0780000              0.0001570        
  3     80.6678000              0.0008380        
  4     34.0224000              0.0037600        
  5     13.0033000             -0.0175410        
  6      8.1197900              0.0293380        
  7      4.4298400              0.1858750        
  8      2.5350700              0.3281340        
  9      1.4282700              0.3350310        
D   1
  1      0.7931480              1.0000000        
D   1
  1      0.4313130              1.0000000        
D   1
  1      0.2292640              1.0000000        
D   1
  1      0.1060000              1.0000000        
D   1
  1      0.0449000              1.0000000        
F   1
  1      0.6149000              1.0000000        
F   1
  1      0.3194000              1.0000000        
F   1
  1      0.1659000              1.0000000        
F   1
  1      0.0755000              1.0000000        
G   1
  1      0.6129000              1.0000000        
G   1
  1      0.2902000              1.0000000        
G   1
  1      0.1395000              1.0000000        
H   1
  1      0.5376000              1.0000000        
H   1
  1      0.3031000              1.0000000        


name: aug-cc-pV5Z-PP
description: V5ZPD Valence Quintuple Zeta + Polarization on All Atoms
elt: I
data:
IODINE
S   11
  1      4.297660E+04           1.300000E-05     
  2      6.439010E+03           9.700000E-05     
  3      1.455780E+03           4.660000E-04     
  4      4.053610E+02           1.441000E-03     
  5      1.169800E+02           2.674000E-03     
  6      2.963260E+01          -5.812100E-02     
  7      1.851000E+01           3.457590E-01     
  8      1.156200E+01          -3.622720E-01     
  9      6.595070E+00          -6.346740E-01     
 10      4.053400E+00           2.236670E-01     
 11      2.140900E+00           7.832730E-01     
S   11
  1      4.297660E+04          -6.000000E-06     
  2      6.439010E+03          -4.700000E-05     
  3      1.455780E+03          -2.230000E-04     
  4      4.053610E+02          -7.120000E-04     
  5      1.169800E+02          -1.234000E-03     
  6      2.963260E+01           2.412100E-02     
  7      1.851000E+01          -1.556420E-01     
  8      1.156200E+01           1.885390E-01     
  9      6.595070E+00           2.742270E-01     
 10      4.053400E+00          -1.247080E-01     
 11      2.140900E+00          -4.731900E-01     
S   1
  1      1.181640E+00           1.0000000        
S   1
  1      6.003720E-01           1.0000000        
S   1
  1      3.199650E-01           1.0000000        
S   1
  1      1.587690E-01           1.0000000        
S   1
  1      7.545100E-02           1.0000000        
S   1
  1      3.050000E-02           1.0000000        
P   8
  1      5.696430E+02           1.150000E-04     
  2      1.314960E+02           7.170000E-04     
  3      3.238430E+01          -2.027000E-03     
  4      2.022540E+01           5.343600E-02     
  5      1.123810E+01          -1.922640E-01     
  6      6.627940E+00          -9.521500E-02     
  7      3.647800E+00           3.658080E-01     
  8      1.988530E+00           5.364310E-01     
P   8
  1      5.696430E+02          -4.300000E-05     
  2      1.314960E+02          -2.600000E-04     
  3      3.238430E+01           3.440000E-04     
  4      2.022540E+01          -1.823100E-02     
  5      1.123810E+01           7.401400E-02     
  6      6.627940E+00           2.201600E-02     
  7      3.647800E+00          -1.478730E-01     
  8      1.988530E+00          -2.411660E-01     
P   1
  1      1.063670E+00           1.0000000        
P   1
  1      5.243030E-01           1.0000000        
P   1
  1      2.553820E-01           1.0000000        
P   1
  1      1.197550E-01           1.0000000        
P   1
  1      5.419900E-02           1.0000000        
P   1
  1      2.310000E-02           1.0000000        
D   9
  1      5.788080E+02           2.600000E-05     
  2      1.758530E+02           2.340000E-04     
  3      6.882920E+01           1.177000E-03     
  4      2.873540E+01           5.462000E-03     
  5      1.231660E+01          -2.753000E-02     
  6      7.611430E+00           2.097600E-02     
  7      4.704520E+00           1.768420E-01     
  8      2.794650E+00           3.194790E-01     
  9      1.616440E+00           3.387310E-01     
D   1
  1      9.142110E-01           1.0000000        
D   1
  1      5.047300E-01           1.0000000        
D   1
  1      2.762800E-01           1.0000000        
D   1
  1      1.392000E-01           1.0000000        
D   1
  1      6.300000E-02           1.0000000        
F   1
  1      6.739000E-01           1.0000000        
F   1
  1      3.631000E-01           1.0000000        
F   1
  1      1.956000E-01           1.0000000        
F   1
  1      1.027000E-01           1.0000000        
G   1
  1      6.721000E-01           1.0000000        
G   1
  1      3.226000E-01           1.0000000        
G   1
  1      1.633000E-01           1.0000000        
H   1
  1      5.908000E-01           1.0000000        
H   1
  1      3.591000E-01           1.0000000        


name: aug-cc-pV5Z-PP
description: V5ZPD Valence Quintuple Zeta + Polarization on All Atoms
elt: Xe
data:
XENON
S   11
  1  48321.7000000              0.0000210        
  2   7247.5300000              0.0001610        
  3   1647.8200000              0.0007770        
  4    463.2800000              0.0024510        
  5    141.2520000              0.0043270        
  6     30.3364000             -0.0520960        
  7     18.9517000              0.3623700        
  8     11.8390000             -0.4511310        
  9      6.6022600             -0.6055000        
 10      4.0861100              0.3224700        
 11      2.1698900              0.7959590        
S   11
  1  48321.7000000             -0.0000110        
  2   7247.5300000             -0.0000850        
  3   1647.8200000             -0.0004060        
  4    463.2800000             -0.0013050        
  5    141.2520000             -0.0022300        
  6     30.3364000              0.0213490        
  7     18.9517000             -0.1666670        
  8     11.8390000              0.2374810        
  9      6.6022600              0.2620450        
 10      4.0861100             -0.1705710        
 11      2.1698900             -0.5273020        
S   1
  1      1.2081000              1.0000000        
S   1
  1      0.6265520              1.0000000        
S   1
  1      0.3299570              1.0000000        
S   1
  1      0.1665010              1.0000000        
S   1
  1      0.0805130              1.0000000        
S   1
  1      0.0339000              1.0000000        
P   8
  1    606.0380000              0.0001400        
  2    139.7950000              0.0008690        
  3     19.3991000              0.0728320        
  4     12.1272000             -0.2132170        
  5      7.5780500             -0.0864450        
  6      3.8698300              0.3516930        
  7      2.2092800              0.5055770        
  8      1.2518800              0.2783450        
P   8
  1    606.0380000             -0.0000510        
  2    139.7950000             -0.0003600        
  3     19.3991000             -0.0276370        
  4     12.1272000              0.0886670        
  5      7.5780500              0.0162210        
  6      3.8698300             -0.1478720        
  7      2.2092800             -0.2389600        
  8      1.2518800             -0.1387590        
P   1
  1      0.6815140              1.0000000        
P   1
  1      0.3730100              1.0000000        
P   1
  1      0.1983760              1.0000000        
P   1
  1      0.1028230              1.0000000        
P   1
  1      0.0509490              1.0000000        
P   1
  1      0.0259000              1.0000000        
D   9
  1    659.6130000              0.0000290        
  2    200.7280000              0.0002670        
  3     78.7426000              0.0013840        
  4     33.3455000              0.0058650        
  5     12.6987000             -0.0229860        
  6      7.8355000              0.0533760        
  7      4.6694900              0.2158860        
  8      2.7869500              0.3250900        
  9      1.6516400              0.3081500        
D   1
  1      0.9637090              1.0000000        
D   1
  1      0.5521860              1.0000000        
D   1
  1      0.3125300              1.0000000        
D   1
  1      0.1446000              1.0000000        
D   1
  1      0.0611000              1.0000000        
F   1
  1      0.7418000              1.0000000        
F   1
  1      0.4239000              1.0000000        
F   1
  1      0.2423000              1.0000000        
F   1
  1      0.1305000              1.0000000        
G   1
  1      0.7418000              1.0000000        
G   1
  1      0.3597000              1.0000000        
G   1
  1      0.1861000              1.0000000        
H   1
  1      0.6575000              1.0000000        
H   1
  1      0.4159000              1.0000000        


name: aug-cc-pV5Z-PP
description: V5ZPD Valence Quintuple Zeta + Polarization on All Atoms
elt: Hf
data:
HAFNIUM
S   15
  1    127.7480000             -0.0002650        
  2     79.4716000              0.0018600        
  3     45.4455000             -0.0136810        
  4     28.3815000              0.0789220        
  5     17.7268000             -0.3294260        
  6     11.0709000              0.7341460        
  7      6.8945900             -0.4835410        
  8      3.5486400             -0.5526670        
  9      1.9669700             -0.0048260        
 10      1.1896700              0.4295130        
 11      0.7225180              0.5705330        
 12      0.4164450              0.3115260        
 13      0.2308050              0.0487760        
 14      0.1037990              0.0014650        
 15      0.0497170             -0.0014370        
S   15
  1    127.7480000              0.0000500        
  2     79.4716000             -0.0004020        
  3     45.4455000              0.0034560        
  4     28.3815000             -0.0219560        
  5     17.7268000              0.0967560        
  6     11.0709000             -0.2227620        
  7      6.8945900              0.1511500        
  8      3.5486400              0.1802400        
  9      1.9669700              0.0081550        
 10      1.1896700             -0.1681520        
 11      0.7225180             -0.2613930        
 12      0.4164450             -0.2841200        
 13      0.2308050             -0.0039800        
 14      0.1037990              0.4690960        
 15      0.0497170              0.5811820        
S   15
  1    127.7480000             -0.0002150        
  2     79.4716000              0.0013270        
  3     45.4455000             -0.0082810        
  4     28.3815000              0.0437050        
  5     17.7268000             -0.1784800        
  6     11.0709000              0.4054010        
  7      6.8945900             -0.2886660        
  8      3.5486400             -0.2809590        
  9      1.9669700             -0.1238970        
 10      1.1896700              0.5064930        
 11      0.7225180              0.4808970        
 12      0.4164450              0.9248080        
 13      0.2308050             -1.6613720        
 14      0.1037990             -1.1516350        
 15      0.0497170              1.2281220        
S   15
  1    127.7480000             -0.0002050        
  2     79.4716000              0.0006500        
  3     45.4455000              0.0023510        
  4     28.3815000             -0.0394250        
  5     17.7268000              0.2197680        
  6     11.0709000             -0.5440250        
  7      6.8945900              0.3558480        
  8      3.5486400              0.6157690        
  9      1.9669700             -0.0435280        
 10      1.1896700             -0.6285800        
 11      0.7225180             -2.6644980        
 12      0.4164450              2.6677750        
 13      0.2308050              2.2901390        
 14      0.1037990             -3.5999040        
 15      0.0497170              0.6097060        
S   15
  1    127.7480000             -0.0004360        
  2     79.4716000              0.0017770        
  3     45.4455000             -0.0015150        
  4     28.3815000             -0.0327300        
  5     17.7268000              0.2228950        
  6     11.0709000             -0.5723910        
  7      6.8945900              0.3439330        
  8      3.5486400              0.7814050        
  9      1.9669700              0.4626060        
 10      1.1896700             -2.7820660        
 11      0.7225180             -3.1216790        
 12      0.4164450             11.6688260        
 13      0.2308050             -9.7036820        
 14      0.1037990              1.9065390        
 15      0.0497170              2.4988180        
S   15
  1    127.7480000             -0.0065390        
  2     79.4716000              0.0330230        
  3     45.4455000             -0.1319560        
  4     28.3815000              0.3965380        
  5     17.7268000             -1.0136420        
  6     11.0709000              1.9458380        
  7      6.8945900             -1.7872130        
  8      3.5486400              0.2408740        
  9      1.9669700             -4.1101300        
 10      1.1896700             17.4671040        
 11      0.7225180            -23.3039300        
 12      0.4164450             11.9257810        
 13      0.2308050              1.7063660        
 14      0.1037990             -7.7578540        
 15      0.0497170              7.2322400        
S   1
  1      0.0237700              1.0000000        
S   1
  1      0.0114000              1.0000000        
P   12
  1     41.4467000             -0.0006080        
  2     25.8855000              0.0072100        
  3     16.1691000             -0.0505390        
  4     10.1016000              0.1824760        
  5      6.3107100             -0.2021880        
  6      3.8365300             -0.1667920        
  7      1.3993200              0.3020540        
  8      0.7676080              0.4675860        
  9      0.4115580              0.3223530        
 10      0.2111180              0.0902090        
 11      0.0981670              0.0082420        
 12      0.0453820              0.0010090        
P   12
  1     41.4467000              0.0001310        
  2     25.8855000             -0.0017860        
  3     16.1691000              0.0134610        
  4     10.1016000             -0.0503600        
  5      6.3107100              0.0574720        
  6      3.8365300              0.0470140        
  7      1.3993200             -0.0929890        
  8      0.7676080             -0.1678660        
  9      0.4115580             -0.1546010        
 10      0.2111180              0.0749170        
 11      0.0981670              0.4278670        
 12      0.0453820              0.4997790        
P   12
  1     41.4467000              0.0001550        
  2     25.8855000             -0.0024110        
  3     16.1691000              0.0190800        
  4     10.1016000             -0.0723590        
  5      6.3107100              0.0825170        
  6      3.8365300              0.0694090        
  7      1.3993200             -0.1384910        
  8      0.7676080             -0.2388510        
  9      0.4115580             -0.2696350        
 10      0.2111180              0.2559880        
 11      0.0981670              0.7089890        
 12      0.0453820              0.2477470        
P   12
  1     41.4467000              0.0003500        
  2     25.8855000             -0.0047590        
  3     16.1691000              0.0361480        
  4     10.1016000             -0.1366730        
  5      6.3107100              0.1591460        
  6      3.8365300              0.1281270        
  7      1.3993200             -0.2677180        
  8      0.7676080             -0.7965620        
  9      0.4115580              0.1238840        
 10      0.2111180              1.6212470        
 11      0.0981670             -0.5567550        
 12      0.0453820             -0.6691030        
P   12
  1     41.4467000              0.0007800        
  2     25.8855000             -0.0084450        
  3     16.1691000              0.0588600        
  4     10.1016000             -0.2212050        
  5      6.3107100              0.2683550        
  6      3.8365300              0.2077140        
  7      1.3993200             -0.7711390        
  8      0.7676080             -1.4253890        
  9      0.4115580              3.4737140        
 10      0.2111180             -1.5709620        
 11      0.0981670             -1.1457100        
 12      0.0453820              1.2510060        
P   12
  1     41.4467000              0.0161090        
  2     25.8855000             -0.0774960        
  3     16.1691000              0.1644930        
  4     10.1016000             -0.1561020        
  5      6.3107100              0.2459260        
  6      3.8365300             -0.9029180        
  7      1.3993200              3.4050860        
  8      0.7676080             -3.5255490        
  9      0.4115580             -0.6189970        
 10      0.2111180              3.9159700        
 11      0.0981670             -3.9242830        
 12      0.0453820              1.8289550        
P   1
  1      0.0206860              1.0000000        
P   1
  1      0.0094000              1.0000000        
D   10
  1     35.5394000              0.0000430        
  2     15.2305000             -0.0006500        
  3      7.7746700              0.0123910        
  4      4.3736500             -0.0563170        
  5      1.4161700              0.0928900        
  6      0.8379100              0.1799400        
  7      0.4656750              0.2783780        
  8      0.2397700              0.3177230        
  9      0.1177200              0.2618220        
 10      0.0557830              0.1262830        
D   10
  1     35.5394000             -0.0000150        
  2     15.2305000              0.0005190        
  3      7.7746700             -0.0136520        
  4      4.3736500              0.0657540        
  5      1.4161700             -0.1206020        
  6      0.8379100             -0.2424530        
  7      0.4656750             -0.3683650        
  8      0.2397700             -0.1005520        
  9      0.1177200              0.4226440        
 10      0.0557830              0.4761400        
D   10
  1     35.5394000             -0.0000920        
  2     15.2305000             -0.0000270        
  3      7.7746700              0.0172170        
  4      4.3736500             -0.0933910        
  5      1.4161700              0.2127460        
  6      0.8379100              0.4655750        
  7      0.4656750              0.2673850        
  8      0.2397700             -0.8332010        
  9      0.1177200             -0.4285520        
 10      0.0557830              0.6530410        
D   10
  1     35.5394000              0.0004280        
  2     15.2305000             -0.0016930        
  3      7.7746700             -0.0180860        
  4      4.3736500              0.1212750        
  5      1.4161700             -0.3064630        
  6      0.8379100             -1.0395480        
  7      0.4656750              1.1482350        
  8      0.2397700              0.8681360        
  9      0.1177200             -1.6557700        
 10      0.0557830              0.4445940        
D   10
  1     35.5394000              0.0002690        
  2     15.2305000             -0.0026550        
  3      7.7746700              0.0489690        
  4      4.3736500             -0.2528270        
  5      1.4161700              1.3918810        
  6      0.8379100             -0.1414450        
  7      0.4656750             -2.6895820        
  8      0.2397700              3.1243230        
  9      0.1177200             -1.3526590        
 10      0.0557830             -0.4206500        
D   1
  1      0.0251140              1.0000000        
D   1
  1      0.0113000              1.0000000        
F   1
  1      1.0807000              1.0000000        
F   1
  1      0.4600000              1.0000000        
F   1
  1      0.1958000              1.0000000        
F   1
  1      0.0834000              1.0000000        
F   1
  1      0.0297000              1.0000000        
G   1
  1      1.0998000              1.0000000        
G   1
  1      0.4175000              1.0000000        
G   1
  1      0.1585000              1.0000000        
G   1
  1      0.0540000              1.0000000        
H   1
  1      0.7694000              1.0000000        
H   1
  1      0.2781000              1.0000000        
H   1
  1      0.0920000              1.0000000        
I   1
  1      0.5042000              1.0000000        
I   1
  1      0.1624000              1.0000000        


name: aug-cc-pV5Z-PP
description: V5ZPD Valence Quintuple Zeta + Polarization on All Atoms
elt: Ta
data:
TANTALUM
S   15
  1    127.8860000             -0.0002790        
  2     79.6219000              0.0020770        
  3     47.3560000             -0.0127990        
  4     28.9849000              0.0750180        
  5     18.1009000             -0.3238420        
  6     11.3049000              0.7427980        
  7      7.0610300             -0.4963610        
  8      3.7219500             -0.5605560        
  9      1.9676200             -0.0147580        
 10      1.2207300              0.5206740        
 11      0.7094640              0.5800160        
 12      0.4076670              0.2439380        
 13      0.2308530              0.0336160        
 14      0.1124470              0.0003250        
 15      0.0540990             -0.0021700        
S   15
  1    127.8860000              0.0000430        
  2     79.6219000             -0.0004060        
  3     47.3560000              0.0030990        
  4     28.9849000             -0.0209290        
  5     18.1009000              0.0970320        
  6     11.3049000             -0.2315270        
  7      7.0610300              0.1598630        
  8      3.7219500              0.1896500        
  9      1.9676200              0.0113860        
 10      1.2207300             -0.2125120        
 11      0.7094640             -0.3065440        
 12      0.4076670             -0.2409180        
 13      0.2308530              0.0388600        
 14      0.1124470              0.4628580        
 15      0.0540990              0.5752370        
S   15
  1    127.8860000              0.0001110        
  2     79.6219000             -0.0008820        
  3     47.3560000              0.0059160        
  4     28.9849000             -0.0375850        
  5     18.1009000              0.1716390        
  6     11.3049000             -0.4111500        
  7      7.0610300              0.2909600        
  8      3.7219500              0.3268680        
  9      1.9676200              0.0945570        
 10      1.2207300             -0.5424690        
 11      0.7094640             -0.7913220        
 12      0.4076670             -0.4190270        
 13      0.2308530              1.6532500        
 14      0.1124470              0.8989830        
 15      0.0540990             -1.1280310        
S   14
  1     79.6219000             -0.0004300        
  2     47.3560000              0.0057360        
  3     28.9849000             -0.0481540        
  4     18.1009000              0.2439050        
  5     11.3049000             -0.6085090        
  6      7.0610300              0.4282320        
  7      3.7219500              0.5955070        
  8      1.9676200              0.1293500        
  9      1.2207300             -1.4441160        
 10      0.7094640             -1.9042060        
 11      0.4076670              3.2780850        
 12      0.2308530              1.4056750        
 13      0.1124470             -3.3379110        
 14      0.0540990              0.4211850        
S   15
  1    127.8860000              0.0002870        
  2     79.6219000             -0.0019250        
  3     47.3560000              0.0108510        
  4     28.9849000             -0.0629920        
  5     18.1009000              0.2830470        
  6     11.3049000             -0.6835000        
  7      7.0610300              0.4757520        
  8      3.7219500              0.6263640        
  9      1.9676200              1.1666760        
 10      1.2207300             -5.1480010        
 11      0.7094640              1.1355430        
 12      0.4076670              8.3573620        
 13      0.2308530             -9.1380100        
 14      0.1124470              2.0396930        
 15      0.0540990              2.6709700        
S   15
  1    127.8860000             -0.0027560        
  2     79.6219000              0.0149860        
  3     47.3560000             -0.0565160        
  4     28.9849000              0.1974660        
  5     18.1009000             -0.6383540        
  6     11.3049000              1.3988440        
  7      7.0610300             -1.1057190        
  8      3.7219500             -1.1405960        
  9      1.9676200             -1.0047480        
 10      1.2207300             13.1447220        
 11      0.7094640            -22.4925640        
 12      0.4076670             15.8588450        
 13      0.2308530             -1.4127320        
 14      0.1124470             -6.8494450        
 15      0.0540990              6.6999900        
S   1
  1      0.0255890              1.0000000        
S   1
  1      0.0121000              1.0000000        
P   12
  1     43.0864000             -0.0004490        
  2     26.2162000              0.0063050        
  3     16.3747000             -0.0481970        
  4     10.2287000              0.1858860        
  5      6.3885600             -0.2230500        
  6      3.8820000             -0.1621140        
  7      1.5402200              0.2784190        
  8      0.8635440              0.4672790        
  9      0.4684760              0.3385310        
 10      0.2433510              0.1034880        
 11      0.1126670              0.0106060        
 12      0.0514670              0.0008630        
P   12
  1     43.0864000              0.0000830        
  2     26.2162000             -0.0015370        
  3     16.3747000              0.0131640        
  4     10.2287000             -0.0532870        
  5      6.3885600              0.0661500        
  6      3.8820000              0.0478650        
  7      1.5402200             -0.0900430        
  8      0.8635440             -0.1758890        
  9      0.4684760             -0.1625120        
 10      0.2433510              0.0661390        
 11      0.1126670              0.4193780        
 12      0.0514670              0.5076320        
P   12
  1     43.0864000              0.0000770        
  2     26.2162000             -0.0020600        
  3     16.3747000              0.0191860        
  4     10.2287000             -0.0793420        
  5      6.3885600              0.0985250        
  6      3.8820000              0.0742280        
  7      1.5402200             -0.1412360        
  8      0.8635440             -0.2634310        
  9      0.4684760             -0.2924470        
 10      0.2433510              0.2763780        
 11      0.1126670              0.7169410        
 12      0.0514670              0.2347510        
P   12
  1     43.0864000              0.0000670        
  2     26.2162000             -0.0032700        
  3     16.3747000              0.0334630        
  4     10.2287000             -0.1429680        
  5      6.3885600              0.1813390        
  6      3.8820000              0.1407050        
  7      1.5402200             -0.2905920        
  8      0.8635440             -0.8314340        
  9      0.4684760              0.1378480        
 10      0.2433510              1.6015330        
 11      0.1126670             -0.5297110        
 12      0.0514670             -0.6839160        
P   12
  1     43.0864000              0.0003680        
  2     26.2162000             -0.0066880        
  3     16.3747000              0.0591060        
  4     10.2287000             -0.2496690        
  5      6.3885600              0.3312620        
  6      3.8820000              0.2476020        
  7      1.5402200             -0.9737180        
  8      0.8635440             -1.4213200        
  9      0.4684760              3.7940630        
 10      0.2433510             -1.9375430        
 11      0.1126670             -0.8955520        
 12      0.0514670              1.1723800        
P   12
  1     43.0864000             -0.0160570        
  2     26.2162000              0.0835870        
  3     16.3747000             -0.1864780        
  4     10.2287000              0.1749990        
  5      6.3885600             -0.2492200        
  6      3.8820000              1.0920380        
  7      1.5402200             -4.3225400        
  8      0.8635440              5.0941140        
  9      0.4684760             -0.7633390        
 10      0.2433510             -3.1723950        
 11      0.1126670              3.7036060        
 12      0.0514670             -1.9021510        
P   1
  1      0.0230550              1.0000000        
P   1
  1      0.0103000              1.0000000        
D   10
  1     35.5553000              0.0000650        
  2     15.2541000             -0.0010070        
  3      8.0507000              0.0153940        
  4      4.4858200             -0.0687140        
  5      1.4699000              0.1230910        
  6      0.8349400              0.2263780        
  7      0.4639940              0.2926730        
  8      0.2489180              0.2921500        
  9      0.1289160              0.2162180        
 10      0.0644250              0.0968860        
D   10
  1     35.5553000             -0.0000160        
  2     15.2541000              0.0007520        
  3      8.0507000             -0.0166650        
  4      4.4858200              0.0802890        
  5      1.4699000             -0.1644500        
  6      0.8349400             -0.3216390        
  7      0.4639940             -0.3388870        
  8      0.2489180              0.0565710        
  9      0.1289160              0.4638630        
 10      0.0644250              0.4026440        
D   10
  1     35.5553000              0.0001760        
  2     15.2541000             -0.0002270        
  3      8.0507000             -0.0202980        
  4      4.4858200              0.1162780        
  5      1.4699000             -0.3271600        
  6      0.8349400             -0.5766580        
  7      0.4639940              0.0876950        
  8      0.2489180              0.9151310        
  9      0.1289160              0.1294610        
 10      0.0644250             -0.6372310        
D   10
  1     35.5553000              0.0002380        
  2     15.2541000             -0.0002990        
  3      8.0507000             -0.0280330        
  4      4.4858200              0.1647140        
  5      1.4699000             -0.6247180        
  6      0.8349400             -0.7857680        
  7      0.4639940              1.7880720        
  8      0.2489180             -0.0459510        
  9      0.1289160             -1.4392400        
 10      0.0644250              0.5965670        
D   10
  1     35.5553000             -0.0007060        
  2     15.2541000              0.0029160        
  3      8.0507000              0.0395360        
  4      4.4858200             -0.2900840        
  5      1.4699000              2.0927720        
  6      0.8349400             -1.9799750        
  7      0.4639940             -1.1050630        
  8      0.2489180              3.0756320        
  9      0.1289160             -2.0821770        
 10      0.0644250              0.0657740        
D   1
  1      0.0302690              1.0000000        
D   1
  1      0.0142000              1.0000000        
F   1
  1      1.2045000              1.0000000        
F   1
  1      0.5361000              1.0000000        
F   1
  1      0.2386000              1.0000000        
F   1
  1      0.1062000              1.0000000        
F   1
  1      0.0386000              1.0000000        
G   1
  1      1.3234000              1.0000000        
G   1
  1      0.5163000              1.0000000        
G   1
  1      0.2015000              1.0000000        
G   1
  1      0.0725000              1.0000000        
H   1
  1      0.9779000              1.0000000        
H   1
  1      0.3503000              1.0000000        
H   1
  1      0.1249000              1.0000000        
I   1
  1      0.6496000              1.0000000        
I   1
  1      0.2331000              1.0000000        


name: aug-cc-pV5Z-PP
description: V5ZPD Valence Quintuple Zeta + Polarization on All Atoms
elt: W
data:
TUNGSTEN
S   15
  1    128.0210000             -0.0002130        
  2     79.7690000              0.0018130        
  3     48.5622000             -0.0116240        
  4     30.1989000              0.0676740        
  5     18.8517000             -0.2999560        
  6     11.7614000              0.7046350        
  7      7.3298200             -0.4663690        
  8      3.8767000             -0.5914920        
  9      1.9492700              0.0262780        
 10      1.2144400              0.5868220        
 11      0.7063900              0.5430650        
 12      0.4094330              0.2037330        
 13      0.2304240              0.0245590        
 14      0.1120740             -0.0009150        
 15      0.0545930             -0.0027140        
S   15
  1    128.0210000              0.0000210        
  2     79.7690000             -0.0003040        
  3     48.5622000              0.0027070        
  4     30.1989000             -0.0189610        
  5     18.8517000              0.0915990        
  6     11.7614000             -0.2249730        
  7      7.3298200              0.1546610        
  8      3.8767000              0.2055560        
  9      1.9492700             -0.0039980        
 10      1.2144400             -0.2574660        
 11      0.7063900             -0.3084040        
 12      0.4094330             -0.2150450        
 13      0.2304240              0.0978160        
 14      0.1120740              0.4934530        
 15      0.0545930              0.5309830        
S   15
  1    128.0210000              0.0000550        
  2     79.7690000             -0.0006130        
  3     48.5622000              0.0049100        
  4     30.1989000             -0.0332520        
  5     18.8517000              0.1602240        
  6     11.7614000             -0.3963830        
  7      7.3298200              0.2773410        
  8      3.8767000              0.3628200        
  9      1.9492700              0.0727200        
 10      1.2144400             -0.6834100        
 11      0.7063900             -0.8141440        
 12      0.4094330             -0.1123420        
 13      0.2304240              1.7087150        
 14      0.1120740              0.5925350        
 15      0.0545930             -1.0797410        
S   15
  1    128.0210000             -0.0000800        
  2     79.7690000             -0.0000040        
  3     48.5622000              0.0042400        
  4     30.1989000             -0.0425880        
  5     18.8517000              0.2317290        
  6     11.7614000             -0.6006620        
  7      7.3298200              0.4229970        
  8      3.8767000              0.6727400        
  9      1.9492700              0.0054660        
 10      1.2144400             -1.8784650        
 11      0.7063900             -1.2199100        
 12      0.4094330              3.6264850        
 13      0.2304240              0.4866040        
 14      0.1120740             -3.0611230        
 15      0.0545930              0.5984560        
S   15
  1    128.0210000             -0.0002200        
  2     79.7690000              0.0007930        
  3     48.5622000              0.0015110        
  4     30.1989000             -0.0366030        
  5     18.8517000              0.2256000        
  6     11.7614000             -0.5949330        
  7      7.3298200              0.3658040        
  8      3.8767000              0.8681320        
  9      1.9492700              0.7539980        
 10      1.2144400             -5.9039300        
 11      0.7063900              3.9582880        
 12      0.4094330              5.5054530        
 13      0.2304240             -8.3495450        
 14      0.1120740              2.6769820        
 15      0.0545930              2.1562470        
S   15
  1    128.0210000              0.0007620        
  2     79.7690000             -0.0035880        
  3     48.5622000              0.0057020        
  4     30.1989000              0.0367400        
  5     18.8517000             -0.3171300        
  6     11.7614000              0.9032690        
  7      7.3298200             -0.5068010        
  8      3.8767000             -2.1985630        
  9      1.9492700              2.3663650        
 10      1.2144400              8.8286120        
 11      0.7063900            -21.9615460        
 12      0.4094330             19.5076120        
 13      0.2304240             -5.6066650        
 14      0.1120740             -4.4225920        
 15      0.0545930              5.8539150        
S   1
  1      0.0262100              1.0000000        
S   1
  1      0.0126000              1.0000000        
P   12
  1     44.8241000             -0.0005630        
  2     27.9957000              0.0069070        
  3     17.4892000             -0.0501680        
  4     10.9261000              0.1877100        
  5      6.8251900             -0.2162930        
  6      4.1815300             -0.1695920        
  7      1.5635300              0.3171370        
  8      0.8689660              0.4788210        
  9      0.4668820              0.3119830        
 10      0.2376200              0.0805190        
 11      0.1124500              0.0067540        
 12      0.0520670              0.0009720        
P   12
  1     44.8241000              0.0001090        
  2     27.9957000             -0.0016630        
  3     17.4892000              0.0133690        
  4     10.9261000             -0.0523560        
  5      6.8251900              0.0624070        
  6      4.1815300              0.0487380        
  7      1.5635300             -0.1011590        
  8      0.8689660             -0.1802800        
  9      0.4668820             -0.1366360        
 10      0.2376200              0.0929390        
 11      0.1124500              0.4060920        
 12      0.0520670              0.4865210        
P   12
  1     44.8241000              0.0001430        
  2     27.9957000             -0.0025570        
  3     17.4892000              0.0216370        
  4     10.9261000             -0.0859840        
  5      6.8251900              0.1027430        
  6      4.1815300              0.0819860        
  7      1.5635300             -0.1723800        
  8      0.8689660             -0.3159660        
  9      0.4668820             -0.2428930        
 10      0.2376200              0.4141700        
 11      0.1124500              0.6618400        
 12      0.0520670              0.1647600        
P   12
  1     44.8241000              0.0002040        
  2     27.9957000             -0.0041800        
  3     17.4892000              0.0372120        
  4     10.9261000             -0.1517130        
  5      6.8251900              0.1848990        
  6      4.1815300              0.1538090        
  7      1.5635300             -0.3828860        
  8      0.8689660             -0.9138870        
  9      0.4668820              0.6158340        
 10      0.2376200              1.3591900        
 11      0.1124500             -0.7719430        
 12      0.0520670             -0.5298450        
P   12
  1     44.8241000             -0.0018840        
  2     27.9957000              0.0047740        
  3     17.4892000              0.0293600        
  4     10.9261000             -0.1962880        
  5      6.8251900              0.2458850        
  6      4.1815300              0.3544620        
  7      1.5635300             -1.4928090        
  8      0.8689660             -0.4962540        
  9      0.4668820              3.4838900        
 10      0.2376200             -2.5860700        
 11      0.1124500             -0.1732890        
 12      0.0520670              0.9394390        
P   12
  1     44.8241000             -0.0085310        
  2     27.9957000              0.0375330        
  3     17.4892000             -0.0444050        
  4     10.9261000             -0.1250940        
  5      6.8251900              0.1837830        
  6      4.1815300              0.7029870        
  7      1.5635300             -4.5650170        
  8      0.8689660              6.7760870        
  9      0.4668820             -3.4821490        
 10      0.2376200             -1.0709860        
 11      0.1124500              2.8960140        
 12      0.0520670             -1.7956980        
P   1
  1      0.0236130              1.0000000        
P   1
  1      0.0107000              1.0000000        
D   10
  1     35.6782000              0.0000810        
  2     15.4233000             -0.0023430        
  3      9.2438500              0.0200330        
  4      5.0371500             -0.0776750        
  5      1.5468100              0.1491040        
  6      0.8422000              0.2700130        
  7      0.4583880              0.3094120        
  8      0.2475420              0.2705130        
  9      0.1305440              0.1768770        
 10      0.0662290              0.0662320        
D   10
  1     35.6782000             -0.0000100        
  2     15.4233000              0.0020700        
  3      9.2438500             -0.0223950        
  4      5.0371500              0.0942650        
  5      1.5468100             -0.2158830        
  6      0.8422000             -0.4052730        
  7      0.4583880             -0.2654230        
  8      0.2475420              0.2303150        
  9      0.1305440              0.4908810        
 10      0.0662290              0.2989000        
D   10
  1     35.6782000             -0.0000750        
  2     15.4233000             -0.0022060        
  3      9.2438500              0.0308890        
  4      5.0371500             -0.1414110        
  5      1.5468100              0.4576300        
  6      0.8422000              0.6275750        
  7      0.4583880             -0.5604170        
  8      0.2475420             -0.8192870        
  9      0.1305440              0.2636160        
 10      0.0662290              0.5844690        
D   10
  1     35.6782000             -0.0000950        
  2     15.4233000             -0.0028040        
  3      9.2438500              0.0418880        
  4      5.0371500             -0.2028010        
  5      1.5468100              0.9977590        
  6      0.8422000              0.1418660        
  7      0.4583880             -2.0303660        
  8      0.2475420              1.2349000        
  9      0.1305440              0.7676510        
 10      0.0662290             -0.7799460        
D   10
  1     35.6782000              0.0039060        
  2     15.4233000             -0.0236200        
  3      9.2438500              0.0010010        
  4      5.0371500              0.2566630        
  5      1.5468100             -2.4481050        
  6      0.8422000              3.6625230        
  7      0.4583880             -1.4539920        
  8      0.2475420             -1.5880280        
  9      0.1305440              2.2358110        
 10      0.0662290             -0.7062180        
D   1
  1      0.0313960              1.0000000        
D   1
  1      0.0149000              1.0000000        
F   1
  1      1.3495000              1.0000000        
F   1
  1      0.6187000              1.0000000        
F   1
  1      0.2836000              1.0000000        
F   1
  1      0.1300000              1.0000000        
F   1
  1      0.0482000              1.0000000        
G   1
  1      1.5406000              1.0000000        
G   1
  1      0.6162000              1.0000000        
G   1
  1      0.2465000              1.0000000        
G   1
  1      0.0923000              1.0000000        
H   1
  1      1.1714000              1.0000000        
H   1
  1      0.4222000              1.0000000        
H   1
  1      0.1583000              1.0000000        
I   1
  1      0.8048000              1.0000000        
I   1
  1      0.3141000              1.0000000        


name: aug-cc-pV5Z-PP
description: V5ZPD Valence Quintuple Zeta + Polarization on All Atoms
elt: Re
data:
RHENIUM
S   15
  1    202.7120000             -0.0000180        
  2     83.1287000              0.0008080        
  3     51.6714000             -0.0070970        
  4     32.2470000              0.0479820        
  5     20.1306000             -0.2305260        
  6     12.5747000              0.5362550        
  7      7.3845200             -0.3065170        
  8      4.1728600             -0.6272000        
  9      2.6071100             -0.0086210        
 10      1.2876400              0.6405810        
 11      0.7176620              0.5579870        
 12      0.4005670              0.1652750        
 13      0.2323290              0.0172950        
 14      0.1127560              0.0025800        
 15      0.0551780              0.0002910        
S   14
  1     83.1287000             -0.0001630        
  2     51.6714000              0.0018440        
  3     32.2470000             -0.0144650        
  4     20.1306000              0.0746010        
  5     12.5747000             -0.1808000        
  6      7.3845200              0.1099330        
  7      4.1728600              0.2250530        
  8      2.6071100              0.0049640        
  9      1.2876400             -0.2913340        
 10      0.7176620             -0.3384660        
 11      0.4005670             -0.1805940        
 12      0.2323290              0.1402910        
 13      0.1127560              0.5017990        
 14      0.0551780              0.5030990        
S   15
  1    202.7120000              0.0000180        
  2     83.1287000             -0.0005500        
  3     51.6714000              0.0042800        
  4     32.2470000             -0.0276130        
  5     20.1306000              0.1340070        
  6     12.5747000             -0.3229860        
  7      7.3845200              0.2097760        
  8      4.1728600              0.3620910        
  9      2.6071100              0.0961150        
 10      1.2876400             -0.7498160        
 11      0.7176620             -0.8648990        
 12      0.4005670              0.1811020        
 13      0.2323290              1.6121400        
 14      0.1127560              0.4387040        
 15      0.0551780             -1.0489500        
S   15
  1    202.7120000             -0.0000310        
  2     83.1287000              0.0008940        
  3     51.6714000             -0.0067490        
  4     32.2470000              0.0434530        
  5     20.1306000             -0.2145210        
  6     12.5747000              0.5288540        
  7      7.3845200             -0.3532480        
  8      4.1728600             -0.6775470        
  9      2.6071100             -0.1518750        
 10      1.2876400              2.4519750        
 11      0.7176620              0.4384750        
 12      0.4005670             -4.0072560        
 13      0.2323290              0.6936150        
 14      0.1127560              2.7050750        
 15      0.0551780             -0.8795670        
S   15
  1    202.7120000              0.0002350        
  2     83.1287000             -0.0032670        
  3     51.6714000              0.0109550        
  4     32.2470000             -0.0003660        
  5     20.1306000             -0.1431730        
  6     12.5747000              0.4397380        
  7      7.3845200             -0.1194760        
  8      4.1728600             -1.3118760        
  9      2.6071100             -0.1557260        
 10      1.2876400              6.5286810        
 11      0.7176620             -7.6129680        
 12      0.4005670             -1.2325140        
 13      0.2323290              7.2714920        
 14      0.1127560             -4.1794340        
 15      0.0551780             -0.5759050        
S   15
  1    202.7120000              0.0034650        
  2     83.1287000             -0.0537890        
  3     51.6714000              0.2267930        
  4     32.2470000             -0.5545730        
  5     20.1306000              0.8903070        
  6     12.5747000             -1.0481350        
  7      7.3845200              2.4122880        
  8      4.1728600             -7.5736620        
  9      2.6071100              8.1469280        
 10      1.2876400              2.9438290        
 11      0.7176620            -17.3320220        
 12      0.4005670             23.0838870        
 13      0.2323290            -13.5879670        
 14      0.1127560              1.0859110        
 15      0.0551780              3.3164740        
S   1
  1      0.0266950              1.0000000        
S   1
  1      0.0129000              1.0000000        
P   12
  1     47.9533000             -0.0002760        
  2     29.9457000              0.0040490        
  3     18.7024000             -0.0333890        
  4     11.6818000              0.1349390        
  5      7.2963600             -0.1401110        
  6      4.5317300             -0.2024650        
  7      1.6000200              0.3485480        
  8      0.8859210              0.4802570        
  9      0.4730370              0.2920020        
 10      0.2358480              0.0674260        
 11      0.1111810              0.0045690        
 12      0.0515630              0.0010030        
P   12
  1     47.9533000              0.0000660        
  2     29.9457000             -0.0011030        
  3     18.7024000              0.0097100        
  4     11.6818000             -0.0407390        
  5      7.2963600              0.0446200        
  6      4.5317300              0.0607640        
  7      1.6000200             -0.1211460        
  8      0.8859210             -0.1957700        
  9      0.4730370             -0.1230670        
 10      0.2358480              0.1476650        
 11      0.1111810              0.4461360        
 12      0.0515630              0.4517640        
P   12
  1     47.9533000              0.0000970        
  2     29.9457000             -0.0017690        
  3     18.7024000              0.0159300        
  4     11.6818000             -0.0672890        
  5      7.2963600              0.0740170        
  6      4.5317300              0.1009150        
  7      1.6000200             -0.2052230        
  8      0.8859210             -0.3536700        
  9      0.4730370             -0.1740060        
 10      0.2358480              0.5158270        
 11      0.1111810              0.5958240        
 12      0.0515630              0.1163270        
P   12
  1     47.9533000             -0.0000210        
  2     29.9457000              0.0022630        
  3     18.7024000             -0.0256330        
  4     11.6818000              0.1152090        
  5      7.2963600             -0.1268210        
  6      4.5317300             -0.1981360        
  7      1.6000200              0.5068520        
  8      0.8859210              0.9103290        
  9      0.4730370             -1.0009770        
 10      0.2358480             -1.0597320        
 11      0.1111810              0.9144500        
 12      0.0515630              0.3787070        
P   12
  1     47.9533000              0.0044250        
  2     29.9457000             -0.0194640        
  3     18.7024000              0.0222630        
  4     11.6818000              0.0693960        
  5      7.2963600             -0.0499830        
  6      4.5317300             -0.5122240        
  7      1.6000200              2.0349300        
  8      0.8859210             -0.5892110        
  9      0.4730370             -2.7862130        
 10      0.2358480              2.8600090        
 11      0.1111810             -0.4498560        
 12      0.0515630             -0.6745750        
P   12
  1     47.9533000              0.0095020        
  2     29.9457000             -0.0541850        
  3     18.7024000              0.1976230        
  4     11.6818000             -0.5605200        
  5      7.2963600              0.7615590        
  6      4.5317300              0.2039630        
  7      1.6000200             -4.6023340        
  8      0.8859210              8.0439570        
  9      0.4730370             -5.8869540        
 10      0.2358480              1.2584620        
 11      0.1111810              1.5587300        
 12      0.0515630             -1.4244990        
P   1
  1      0.0235420              1.0000000        
P   1
  1      0.0107000              1.0000000        
D   10
  1     35.7309000              0.0000990        
  2     16.0515000             -0.0015020        
  3      9.9659100              0.0122100        
  4      5.0281700             -0.0671390        
  5      1.7427600              0.1216760        
  6      1.0452000              0.2158010        
  7      0.6077840              0.2894700        
  8      0.3294000              0.2946000        
  9      0.1679870              0.2175370        
 10      0.0816530              0.1022850        
D   10
  1     35.7309000             -0.0000910        
  2     16.0515000              0.0014570        
  3      9.9659100             -0.0130710        
  4      5.0281700              0.0758260        
  5      1.7427600             -0.1508580        
  6      1.0452000             -0.3139560        
  7      0.6077840             -0.3290430        
  8      0.3294000              0.0602180        
  9      0.1679870              0.4784460        
 10      0.0816530              0.4104690        
D   10
  1     35.7309000              0.0001730        
  2     16.0515000             -0.0003060        
  3      9.9659100             -0.0147100        
  4      5.0281700              0.1185220        
  5      1.7427600             -0.3719350        
  6      1.0452000             -0.5457170        
  7      0.6077840              0.0674260        
  8      0.3294000              0.8900820        
  9      0.1679870              0.1737840        
 10      0.0816530             -0.6452820        
D   10
  1     35.7309000              0.0006500        
  2     16.0515000             -0.0067020        
  3      9.9659100              0.0371030        
  4      5.0281700             -0.1942700        
  5      1.7427600              0.7473670        
  6      1.0452000              0.8063190        
  7      0.6077840             -1.9285380        
  8      0.3294000              0.1008470        
  9      0.1679870              1.3672990        
 10      0.0816530             -0.5654600        
D   10
  1     35.7309000             -0.0019430        
  2     16.0515000              0.0120540        
  3      9.9659100              0.0105860        
  4      5.0281700             -0.2881360        
  5      1.7427600              2.5644120        
  6      1.0452000             -2.7590000        
  7      0.6077840             -0.6513700        
  8      0.3294000              2.7968950        
  9      0.1679870             -1.8294110        
 10      0.0816530             -0.0374110        
D   1
  1      0.0372670              1.0000000        
D   1
  1      0.0170000              1.0000000        
F   1
  1      1.4757000              1.0000000        
F   1
  1      0.6895000              1.0000000        
F   1
  1      0.3222000              1.0000000        
F   1
  1      0.1505000              1.0000000        
F   1
  1      0.0560000              1.0000000        
G   1
  1      1.7301000              1.0000000        
G   1
  1      0.7095000              1.0000000        
G   1
  1      0.2909000              1.0000000        
G   1
  1      0.1118000              1.0000000        
H   1
  1      1.3434000              1.0000000        
H   1
  1      0.5023000              1.0000000        
H   1
  1      0.1983000              1.0000000        
I   1
  1      1.0694000              1.0000000        
I   1
  1      0.4822000              1.0000000        


name: aug-cc-pV5Z-PP
description: V5ZPD Valence Quintuple Zeta + Polarization on All Atoms
elt: Os
data:
OSMIUM
S   15
  1    227.2160000             -0.0000080        
  2     88.9180000              0.0006500        
  3     55.3980000             -0.0057630        
  4     34.5047000              0.0395840        
  5     21.5498000             -0.1899940        
  6     13.3429000              0.4393550        
  7      7.2939800             -0.2162190        
  8      4.4707900             -0.6369810        
  9      2.5034400             -0.0856790        
 10      1.5041300              0.5520460        
 11      0.8808490              0.5880240        
 12      0.5112780              0.2614560        
 13      0.2785370              0.0386370        
 14      0.1317160              0.0025830        
 15      0.0626290              0.0009850        
S   15
  1    227.2160000             -0.0000010        
  2     88.9180000             -0.0001530        
  3     55.3980000              0.0016120        
  4     34.5047000             -0.0123980        
  5     21.5498000              0.0631760        
  6     13.3429000             -0.1520640        
  7      7.2939800              0.0829460        
  8      4.4707900              0.2314950        
  9      2.5034400              0.0334930        
 10      1.5041300             -0.2523020        
 11      0.8808490             -0.3237270        
 12      0.5112780             -0.2363270        
 13      0.2785370              0.0729300        
 14      0.1317160              0.4772580        
 15      0.0626290              0.5415620        
S   15
  1    227.2160000              0.0000110        
  2     88.9180000             -0.0004860        
  3     55.3980000              0.0038370        
  4     34.5047000             -0.0252950        
  5     21.5498000              0.1232880        
  6     13.3429000             -0.2967180        
  7      7.2939800              0.1764350        
  8      4.4707900              0.4257760        
  9      2.5034400              0.1812150        
 10      1.5041300             -0.7732490        
 11      0.8808490             -0.9496670        
 12      0.5112780             -0.0491560        
 13      0.2785370              1.7480150        
 14      0.1317160              0.4745020        
 15      0.0626290             -1.0206450        
S   15
  1    227.2160000              0.0000570        
  2     88.9180000             -0.0005270        
  3     55.3980000             -0.0002760        
  4     34.5047000              0.0237580        
  5     21.5498000             -0.1612420        
  6     13.3429000              0.4238590        
  7      7.2939800             -0.2128580        
  8      4.4707900             -0.8411380        
  9      2.5034400             -0.3547180        
 10      1.5041300              2.5012250        
 11      0.8808490              1.5206040        
 12      0.5112780             -4.7077430        
 13      0.2785370              0.5173180        
 14      0.1317160              2.8011500        
 15      0.0626290             -1.0530940        
S   15
  1    227.2160000              0.0003020        
  2     88.9180000             -0.0046580        
  3     55.3980000              0.0171120        
  4     34.5047000             -0.0161720        
  5     21.5498000             -0.1164320        
  6     13.3429000              0.4081330        
  7      7.2939800              0.1057120        
  8      4.4707900             -2.0385030        
  9      2.5034400             -0.1832490        
 10      1.5041300              8.8048900        
 11      0.8808490            -10.0151690        
 12      0.5112780             -0.2302100        
 13      0.2785370              7.0274320        
 14      0.1317160             -4.7555670        
 15      0.0626290              0.3846600        
S   15
  1    227.2160000              0.0022710        
  2     88.9180000             -0.0383040        
  3     55.3980000              0.1614460        
  4     34.5047000             -0.3854960        
  5     21.5498000              0.5500720        
  6     13.3429000             -0.5047640        
  7      7.2939800              2.4002110        
  8      4.4707900             -8.2280540        
  9      2.5034400             11.7973900        
 10      1.5041300             -0.0520600        
 11      0.8808490            -19.9171480        
 12      0.5112780             25.5954690        
 13      0.2785370            -15.0580250        
 14      0.1317160              3.5673590        
 15      0.0626290              1.5404740        
S   1
  1      0.0295780              1.0000000        
S   1
  1      0.0140000              1.0000000        
P   12
  1     50.5874000             -0.0001780        
  2     31.5906000              0.0031850        
  3     19.7305000             -0.0284180        
  4     12.3248000              0.1191540        
  5      7.6982400             -0.1170170        
  6      4.7632200             -0.2175890        
  7      1.6802200              0.3609010        
  8      0.9331860              0.4826620        
  9      0.4989040              0.2839670        
 10      0.2484490              0.0632460        
 11      0.1156230              0.0042670        
 12      0.0529260              0.0008460        
P   12
  1     50.5874000              0.0000520        
  2     31.5906000             -0.0009170        
  3     19.7305000              0.0083100        
  4     12.3248000             -0.0357720        
  5      7.6982400              0.0376310        
  6      4.7632200              0.0635160        
  7      1.6802200             -0.1247100        
  8      0.9331860             -0.1901510        
  9      0.4989040             -0.1125450        
 10      0.2484490              0.1468150        
 11      0.1156230              0.4354470        
 12      0.0529260              0.4550710        
P   12
  1     50.5874000              0.0000480        
  2     31.5906000             -0.0014300        
  3     19.7305000              0.0145560        
  4     12.3248000             -0.0644830        
  5      7.6982400              0.0678250        
  6      4.7632200              0.1188800        
  7      1.6802200             -0.2396480        
  8      0.9331860             -0.3999740        
  9      0.4989040             -0.1150490        
 10      0.2484490              0.5925270        
 11      0.1156230              0.5415260        
 12      0.0529260              0.0798220        
P   12
  1     50.5874000              0.0004710        
  2     31.5906000             -0.0005060        
  3     19.7305000             -0.0165620        
  4     12.3248000              0.0954490        
  5      7.6982400             -0.0949800        
  6      4.7632200             -0.2453950        
  7      1.6802200              0.6373810        
  8      0.9331860              0.8797360        
  9      0.4989040             -1.2780900        
 10      0.2484490             -0.7832380        
 11      0.1156230              0.9608010        
 12      0.0529260              0.2828430        
P   12
  1     50.5874000              0.0058520        
  2     31.5906000             -0.0273330        
  3     19.7305000              0.0473740        
  4     12.3248000              0.0133890        
  5      7.6982400              0.0414600        
  6      4.7632200             -0.6358230        
  7      1.6802200              2.5600610        
  8      0.9331860             -1.6019820        
  9      0.4989040             -2.0350280        
 10      0.2484490              2.8242020        
 11      0.1156230             -0.7670580        
 12      0.0529260             -0.5063300        
P   12
  1     50.5874000              0.0287000        
  2     31.5906000             -0.1526390        
  3     19.7305000              0.4666400        
  4     12.3248000             -1.0736960        
  5      7.6982400              1.4665880        
  6      4.7632200             -0.3475880        
  7      1.6802200             -4.4515830        
  8      0.9331860              8.6243800        
  9      0.4989040             -7.2754890        
 10      0.2484490              2.7515100        
 11      0.1156230              0.5647000        
 12      0.0529260             -1.0633800        
P   1
  1      0.0238640              1.0000000        
P   1
  1      0.0108000              1.0000000        
D   10
  1     34.7251000              0.0001770        
  2     18.4921000             -0.0014600        
  3     11.5470000              0.0090810        
  4      5.3023800             -0.0626140        
  5      1.8076600              0.1422720        
  6      1.0508200              0.2494720        
  7      0.5992150              0.2973920        
  8      0.3269350              0.2744110        
  9      0.1699930              0.1905300        
 10      0.0845740              0.0850110        
D   10
  1     34.7251000             -0.0002550        
  2     18.4921000              0.0018950        
  3     11.5470000             -0.0109550        
  4      5.3023800              0.0761900        
  5      1.8076600             -0.1919640        
  6      1.0508200             -0.4022390        
  7      0.5992150             -0.2705850        
  8      0.3269350              0.2026700        
  9      0.1699930              0.4974950        
 10      0.0845740              0.3210020        
D   10
  1     34.7251000             -0.0003770        
  2     18.4921000              0.0026750        
  3     11.5470000             -0.0165250        
  4      5.3023800              0.1264650        
  5      1.8076600             -0.4975880        
  6      1.0508200             -0.6159520        
  7      0.5992150              0.5117290        
  8      0.3269350              0.8300070        
  9      0.1699930             -0.1728380        
 10      0.0845740             -0.5995710        
D   10
  1     34.7251000              0.0030890        
  2     18.4921000             -0.0175070        
  3     11.5470000              0.0492840        
  4      5.3023800             -0.2305210        
  5      1.8076600              1.2697920        
  6      1.0508200             -0.0744860        
  7      0.5992150             -2.0270440        
  8      0.3269350              1.1913850        
  9      0.1699930              0.7435960        
 10      0.0845740             -0.6930140        
D   10
  1     34.7251000              0.0092970        
  2     18.4921000             -0.0443470        
  3     11.5470000              0.0482340        
  4      5.3023800              0.2227540        
  5      1.8076600             -3.0458800        
  6      1.0508200              4.8903840        
  7      0.5992150             -2.3993660        
  8      0.3269350             -1.0524210        
  9      0.1699930              1.8297370        
 10      0.0845740             -0.4714890        
D   1
  1      0.0394930              1.0000000        
D   1
  1      0.0184000              1.0000000        
F   1
  1      1.6402000              1.0000000        
F   1
  1      0.7838000              1.0000000        
F   1
  1      0.3746000              1.0000000        
F   1
  1      0.1790000              1.0000000        
F   1
  1      0.0679000              1.0000000        
G   1
  1      1.9370000              1.0000000        
G   1
  1      0.8085000              1.0000000        
G   1
  1      0.3375000              1.0000000        
G   1
  1      0.1326000              1.0000000        
H   1
  1      1.5067000              1.0000000        
H   1
  1      0.5777000              1.0000000        
H   1
  1      0.2360000              1.0000000        
I   1
  1      1.2206000              1.0000000        
I   1
  1      0.5783000              1.0000000        


name: aug-cc-pV5Z-PP
description: V5ZPD Valence Quintuple Zeta + Polarization on All Atoms
elt: Ir
data:
IRIDIUM
S   15
  1    361.1680000              0.0000040        
  2     95.8674000              0.0004220        
  3     59.8527000             -0.0040300        
  4     36.8252000              0.0307260        
  5     23.0133000             -0.1493440        
  6     13.6810000              0.3885650        
  7      7.2456100             -0.2202300        
  8      4.5281600             -0.6578940        
  9      2.4987800             -0.0279080        
 10      1.5530900              0.5449680        
 11      0.9423020              0.5678570        
 12      0.5460880              0.2781940        
 13      0.2707930              0.0345870        
 14      0.1347530              0.0006840        
 15      0.0645530              0.0017070        
S   15
  1    361.1680000             -0.0000030        
  2     95.8674000             -0.0001010        
  3     59.8527000              0.0011370        
  4     36.8252000             -0.0097400        
  5     23.0133000              0.0502470        
  6     13.6810000             -0.1366010        
  7      7.2456100              0.0874040        
  8      4.5281600              0.2420290        
  9      2.4987800              0.0058910        
 10      1.5530900             -0.2514300        
 11      0.9423020             -0.3171260        
 12      0.5460880             -0.2305500        
 13      0.2707930              0.0921320        
 14      0.1347530              0.4742620        
 15      0.0645530              0.5251200        
S   15
  1    361.1680000             -0.0000120        
  2     95.8674000              0.0000220        
  3     59.8527000              0.0011840        
  4     36.8252000             -0.0162530        
  5     23.0133000              0.0943350        
  6     13.6810000             -0.2669410        
  7      7.2456100              0.1671060        
  8      4.5281600              0.5184990        
  9      2.4987800              0.0818770        
 10      1.5530900             -0.7655880        
 11      0.9423020             -1.1753020        
 12      0.5460880              0.4390200        
 13      0.2707930              1.6679210        
 14      0.1347530              0.1623000        
 15      0.0645530             -0.9114440        
S   15
  1    361.1680000             -0.0000430        
  2     95.8674000              0.0009120        
  3     59.8527000             -0.0024220        
  4     36.8252000             -0.0123750        
  5     23.0133000              0.1191320        
  6     13.6810000             -0.3734900        
  7      7.2456100              0.1842790        
  8      4.5281600              0.9847650        
  9      2.4987800              0.3903310        
 10      1.5530900             -3.3148990        
 11      0.9423020             -0.6367640        
 12      0.5460880              4.7062010        
 13      0.2707930             -1.2718210        
 14      0.1347530             -2.2196150        
 15      0.0645530              1.0516060        
S   15
  1    361.1680000              0.0001580        
  2     95.8674000             -0.0045610        
  3     59.8527000              0.0190690        
  4     36.8252000             -0.0278300        
  5     23.0133000             -0.0770850        
  6     13.6810000              0.3776980        
  7      7.2456100              0.2467920        
  8      4.5281600             -2.9518890        
  9      2.4987800              1.7915660        
 10      1.5530900              8.4440360        
 11      0.9423020            -12.7502280        
 12      0.5460880              3.6778990        
 13      0.2707930              4.6672140        
 14      0.1347530             -4.5177760        
 15      0.0645530              0.5860350        
S   15
  1    361.1680000              0.0008230        
  2     95.8674000             -0.0264250        
  3     59.8527000              0.1204600        
  4     36.8252000             -0.3013830        
  5     23.0133000              0.4065180        
  6     13.6810000             -0.3126660        
  7      7.2456100              2.5994090        
  8      4.5281600            -10.1706390        
  9      2.4987800             19.6716040        
 10      1.5530900            -12.5903850        
 11      0.9423020             -9.0398800        
 12      0.5460880             18.1973900        
 13      0.2707930            -13.0305380        
 14      0.1347530              5.0367020        
 15      0.0645530              0.6544030        
S   1
  1      0.0305960              1.0000000        
S   1
  1      0.0145000              1.0000000        
P   12
  1     53.1489000             -0.0001030        
  2     33.1807000              0.0025820        
  3     20.7203000             -0.0250280        
  4     12.9411000              0.1092320        
  5      8.0825100             -0.1054160        
  6      4.9702700             -0.2259200        
  7      1.7771000              0.3652150        
  8      0.9950100              0.4810560        
  9      0.5365460              0.2820320        
 10      0.2710670              0.0645840        
 11      0.1272520              0.0048890        
 12      0.0586070              0.0007820        
P   12
  1     53.1489000              0.0000390        
  2     33.1807000             -0.0008160        
  3     20.7203000              0.0077660        
  4     12.9411000             -0.0345780        
  5      8.0825100              0.0360390        
  6      4.9702700              0.0691030        
  7      1.7771000             -0.1335600        
  8      0.9950100             -0.1988110        
  9      0.5365460             -0.1141680        
 10      0.2710670              0.1535450        
 11      0.1272520              0.4405510        
 12      0.0586070              0.4502280        
P   12
  1     53.1489000             -0.0000300        
  2     33.1807000             -0.0010390        
  3     20.7203000              0.0137040        
  4     12.9411000             -0.0653110        
  5      8.0825100              0.0677430        
  6      4.9702700              0.1416070        
  7      1.7771000             -0.2919340        
  8      0.9950100             -0.4527000        
  9      0.5365460             -0.0364810        
 10      0.2710670              0.6228330        
 11      0.1272520              0.4918100        
 12      0.0586070              0.0711760        
P   12
  1     53.1489000             -0.0011260        
  2     33.1807000              0.0040110        
  3     20.7203000              0.0061050        
  4     12.9411000             -0.0757750        
  5      8.0825100              0.0665900        
  6      4.9702700              0.2985190        
  7      1.7771000             -0.8076210        
  8      0.9950100             -0.7711620        
  9      0.5365460              1.4513640        
 10      0.2710670              0.5601930        
 11      0.1272520             -0.9311020        
 12      0.0586070             -0.2665940        
P   12
  1     53.1489000              0.0046160        
  2     33.1807000             -0.0212600        
  3     20.7203000              0.0324680        
  4     12.9411000              0.0409210        
  5      8.0825100              0.0091310        
  6      4.9702700             -0.6754230        
  7      1.7771000              3.0768790        
  8      0.9950100             -2.6418560        
  9      0.5365460             -1.2075110        
 10      0.2710670              2.5945410        
 11      0.1272520             -0.8176030        
 12      0.0586070             -0.4631340        
P   12
  1     53.1489000              0.0465730        
  2     33.1807000             -0.2446060        
  3     20.7203000              0.7206110        
  4     12.9411000             -1.5722170        
  5      8.0825100              2.1856100        
  6      4.9702700             -0.9564670        
  7      1.7771000             -4.1001950        
  8      0.9950100              8.7850890        
  9      0.5365460             -8.0886650        
 10      0.2710670              3.5879200        
 11      0.1272520              0.1045200        
 12      0.0586070             -0.8912610        
P   1
  1      0.0264540              1.0000000        
P   1
  1      0.0119000              1.0000000        
D   10
  1     43.8130000              0.0001190        
  2     19.8991000             -0.0011270        
  3     12.4262000              0.0081710        
  4      5.6402700             -0.0616520        
  5      1.8794500              0.1618800        
  6      1.0692500              0.2756330        
  7      0.5995540              0.3042190        
  8      0.3259080              0.2590940        
  9      0.1707020              0.1672860        
 10      0.0861840              0.0688650        
D   10
  1     43.8130000             -0.0001920        
  2     19.8991000              0.0016040        
  3     12.4262000             -0.0098070        
  4      5.6402700              0.0722610        
  5      1.8794500             -0.2126390        
  6      1.0692500             -0.4143280        
  7      0.5995540             -0.2072930        
  8      0.3259080              0.2166400        
  9      0.1707020              0.4503280        
 10      0.0861840              0.3260470        
D   10
  1     43.8130000              0.0006010        
  2     19.8991000             -0.0044620        
  3     12.4262000              0.0187110        
  4      5.6402700             -0.1203430        
  5      1.8794500              0.5070940        
  6      1.0692500              0.5686510        
  7      0.5995540             -0.5572300        
  8      0.3259080             -0.7057520        
  9      0.1707020              0.0897640        
 10      0.0861840              0.5713880        
D   10
  1     43.8130000              0.0019920        
  2     19.8991000             -0.0144700        
  3     12.4262000              0.0443120        
  4      5.6402700             -0.2210940        
  5      1.8794500              1.3855020        
  6      1.0692500             -0.4492360        
  7      0.5995540             -1.6111680        
  8      0.3259080              1.0072380        
  9      0.1707020              0.7000400        
 10      0.0861840             -0.5103520        
D   10
  1     43.8130000              0.0066070        
  2     19.8991000             -0.0416800        
  3     12.4262000              0.0540540        
  4      5.6402700              0.1831770        
  5      1.8794500             -2.8487810        
  6      1.0692500              4.7681860        
  7      0.5995540             -2.6811700        
  8      0.3259080             -0.6021470        
  9      0.1707020              1.4415890        
 10      0.0861840             -0.1580950        
D   1
  1      0.0410370              1.0000000        
D   1
  1      0.0195000              1.0000000        
F   1
  1      1.8012000              1.0000000        
F   1
  1      0.8781000              1.0000000        
F   1
  1      0.4281000              1.0000000        
F   1
  1      0.2087000              1.0000000        
F   1
  1      0.0804000              1.0000000        
G   1
  1      2.1503000              1.0000000        
G   1
  1      0.9139000              1.0000000        
G   1
  1      0.3884000              1.0000000        
G   1
  1      0.1549000              1.0000000        
H   1
  1      1.6762000              1.0000000        
H   1
  1      0.6562000              1.0000000        
H   1
  1      0.2754000              1.0000000        
I   1
  1      1.3796000              1.0000000        
I   1
  1      0.6841000              1.0000000        


name: aug-cc-pV5Z-PP
description: V5ZPD Valence Quintuple Zeta + Polarization on All Atoms
elt: Pt
data:
PLATINUM
S   15
  1    413.6000000              0.0000060        
  2    103.5350000              0.0004160        
  3     64.1243000             -0.0038720        
  4     39.8615000              0.0264020        
  5     24.7987000             -0.1193560        
  6     13.9302000              0.3575240        
  7      7.8013800             -0.1644950        
  8      4.8699100             -0.6967770        
  9      2.7428100             -0.0777230        
 10      1.7119200              0.5375150        
 11      1.0158000              0.6169060        
 12      0.5725730              0.2761470        
 13      0.2878640              0.0315070        
 14      0.1415920              0.0018730        
 15      0.0675100              0.0015970        
S   15
  1    413.6000000             -0.0000030        
  2    103.5350000             -0.0001160        
  3     64.1243000              0.0011680        
  4     39.8615000             -0.0085740        
  5     24.7987000              0.0407120        
  6     13.9302000             -0.1279210        
  7      7.8013800              0.0692260        
  8      4.8699100              0.2586680        
  9      2.7428100              0.0219490        
 10      1.7119200             -0.2466890        
 11      1.0158000             -0.3419970        
 12      0.5725730             -0.2239690        
 13      0.2878640              0.0985710        
 14      0.1415920              0.4687040        
 15      0.0675100              0.5216110        
S   15
  1    413.6000000             -0.0000090        
  2    103.5350000             -0.0001020        
  3     64.1243000              0.0016960        
  4     39.8615000             -0.0155390        
  5     24.7987000              0.0798540        
  6     13.9302000             -0.2597120        
  7      7.8013800              0.1412320        
  8      4.8699100              0.5472760        
  9      2.7428100              0.1708990        
 10      1.7119200             -0.8336090        
 11      1.0158000             -1.2372210        
 12      0.5725730              0.5347410        
 13      0.2878640              1.6196050        
 14      0.1415920              0.0999360        
 15      0.0675100             -0.8380750        
S   15
  1    413.6000000             -0.0000230        
  2    103.5350000              0.0001920        
  3     64.1243000              0.0006930        
  4     39.8615000             -0.0173180        
  5     24.7987000              0.1061720        
  6     13.9302000             -0.3657080        
  7      7.8013800              0.1730430        
  8      4.8699100              0.9047650        
  9      2.7428100              0.7788370        
 10      1.7119200             -3.6748070        
 11      1.0158000             -0.2814290        
 12      0.5725730              4.3832080        
 13      0.2878640             -1.3107940        
 14      0.1415920             -2.0136030        
 15      0.0675100              0.8160260        
S   15
  1    413.6000000              0.0001010        
  2    103.5350000             -0.0028110        
  3     64.1243000              0.0117530        
  4     39.8615000             -0.0121690        
  5     24.7987000             -0.0757860        
  6     13.9302000              0.3634740        
  7      7.8013800              0.2182630        
  8      4.8699100             -2.5719310        
  9      2.7428100              0.7049640        
 10      1.7119200              8.4353250        
 11      1.0158000            -10.7771740        
 12      0.5725730              2.0354810        
 13      0.2878640              4.8458390        
 14      0.1415920             -3.8200850        
 15      0.0675100             -0.1992670        
S   15
  1    413.6000000              0.0007230        
  2    103.5350000             -0.0245520        
  3     64.1243000              0.1165430        
  4     39.8615000             -0.2862430        
  5     24.7987000              0.3824860        
  6     13.9302000             -0.4129910        
  7      7.8013800              2.9730610        
  8      4.8699100            -10.5360960        
  9      2.7428100             17.8678350        
 10      1.7119200             -8.5137410        
 11      1.0158000            -10.8888750        
 12      0.5725730             16.9161650        
 13      0.2878640            -10.5173940        
 14      0.1415920              2.4231110        
 15      0.0675100              2.1083970        
S   1
  1      0.0318870              1.0000000        
S   1
  1      0.0151000              1.0000000        
P   12
  1    393.3780000              0.0000050        
  2     34.4003000              0.0019530        
  3     21.4843000             -0.0225700        
  4     13.4194000              0.1043340        
  5      8.3804900             -0.1002180        
  6      5.1899400             -0.2322400        
  7      1.8586300              0.3832730        
  8      1.0315300              0.4888420        
  9      0.5492050              0.2701700        
 10      0.2700570              0.0549560        
 11      0.1241700              0.0032310        
 12      0.0562650              0.0007140        
P   12
  1    393.3780000             -0.0000010        
  2     34.4003000             -0.0005970        
  3     21.4843000              0.0067220        
  4     13.4194000             -0.0315200        
  5      8.3804900              0.0334640        
  6      5.1899400              0.0654460        
  7      1.8586300             -0.1329850        
  8      1.0315300             -0.1837780        
  9      0.5492050             -0.0979100        
 10      0.2700570              0.1553100        
 11      0.1241700              0.4305860        
 12      0.0562650              0.4499480        
P   12
  1    393.3780000             -0.0000040        
  2     34.4003000             -0.0010070        
  3     21.4843000              0.0133030        
  4     13.4194000             -0.0659420        
  5      8.3804900              0.0680320        
  6      5.1899400              0.1546200        
  7      1.8586300             -0.3345030        
  8      1.0315300             -0.4867300        
  9      0.5492050              0.0680490        
 10      0.2700570              0.6768730        
 11      0.1241700              0.4130540        
 12      0.0562650              0.0407020        
P   12
  1    393.3780000             -0.0000200        
  2     34.4003000              0.0006900        
  3     21.4843000              0.0096580        
  4     13.4194000             -0.0763270        
  5      8.3804900              0.0588180        
  6      5.1899400              0.3278770        
  7      1.8586300             -0.9464050        
  8      1.0315300             -0.6305640        
  9      0.5492050              1.6323920        
 10      0.2700570              0.2341700        
 11      0.1241700             -0.9225510        
 12      0.0562650             -0.1668600        
P   12
  1    393.3780000              0.0000310        
  2     34.4003000             -0.0011490        
  3     21.4843000             -0.0147660        
  4     13.4194000              0.1225100        
  5      8.3804900             -0.0880640        
  6      5.1899400             -0.6398770        
  7      1.8586300              3.3651140        
  8      1.0315300             -3.4776510        
  9      0.5492050             -0.2409940        
 10      0.2700570              2.2262310        
 11      0.1241700             -1.0132520        
 12      0.0562650             -0.3037430        
P   12
  1    393.3780000             -0.0005760        
  2     34.4003000              0.1051820        
  3     21.4843000             -0.5513360        
  4     13.4194000              1.5580790        
  5      8.3804900             -2.4882440        
  6      5.1899400              1.3706840        
  7      1.8586300              3.5240310        
  8      1.0315300             -8.2203150        
  9      0.5492050              8.1974080        
 10      0.2700570             -4.3726250        
 11      0.1241700              0.7179430        
 12      0.0562650              0.5610450        
P   1
  1      0.0251200              1.0000000        
P   1
  1      0.0112000              1.0000000        
D   10
  1     58.1968000              0.0000860        
  2     20.2554000             -0.0006670        
  3     12.6079000              0.0076160        
  4      5.8790400             -0.0613110        
  5      1.9818600              0.1725670        
  6      1.1232200              0.2879770        
  7      0.6296090              0.3035360        
  8      0.3455230              0.2480300        
  9      0.1837110              0.1567080        
 10      0.0939850              0.0638530        
D   10
  1     58.1968000             -0.0001370        
  2     20.2554000              0.0010940        
  3     12.6079000             -0.0095830        
  4      5.8790400              0.0753300        
  5      1.9818600             -0.2469430        
  6      1.1232200             -0.4422110        
  7      0.6296090             -0.1577800        
  8      0.3455230              0.2625890        
  9      0.1837110              0.4399190        
 10      0.0939850              0.2968390        
D   10
  1     58.1968000              0.0004750        
  2     20.2554000             -0.0045800        
  3     12.6079000              0.0208790        
  4      5.8790400             -0.1273270        
  5      1.9818600              0.5802830        
  6      1.1232200              0.5251810        
  7      0.6296090             -0.7014920        
  8      0.3455230             -0.6187960        
  9      0.1837110              0.1625180        
 10      0.0939850              0.5585850        
D   10
  1     58.1968000              0.0008940        
  2     20.2554000             -0.0093280        
  3     12.6079000              0.0388740        
  4      5.8790400             -0.2284820        
  5      1.9818600              1.6233820        
  6      1.1232200             -0.9640830        
  7      0.6296090             -1.3247310        
  8      0.3455230              1.1506530        
  9      0.1837110              0.5492260        
 10      0.0939850             -0.5367150        
D   10
  1     58.1968000              0.0057080        
  2     20.2554000             -0.0592650        
  3     12.6079000              0.1047510        
  4      5.8790400              0.1049320        
  5      1.9818600             -2.8794460        
  6      1.1232200              5.3285780        
  7      0.6296090             -3.7713170        
  8      0.3455230              0.2708710        
  9      0.1837110              1.1748770        
 10      0.0939850             -0.1838840        
D   1
  1      0.0451010              1.0000000        
D   1
  1      0.0216000              1.0000000        
F   1
  1      1.9666000              1.0000000        
F   1
  1      0.9739000              1.0000000        
F   1
  1      0.4823000              1.0000000        
F   1
  1      0.2388000              1.0000000        
F   1
  1      0.0932000              1.0000000        
G   1
  1      2.3675000              1.0000000        
G   1
  1      1.0229000              1.0000000        
G   1
  1      0.4419000              1.0000000        
G   1
  1      0.1789000              1.0000000        
H   1
  1      1.8436000              1.0000000        
H   1
  1      0.7332000              1.0000000        
H   1
  1      0.3139000              1.0000000        
I   1
  1      1.5370000              1.0000000        
I   1
  1      0.7937000              1.0000000        


name: aug-cc-pV5Z-PP
description: V5ZPD Valence Quintuple Zeta + Polarization on All Atoms
elt: Au
data:
GOLD
S   15
  1   2324.0400000              0.0000030        
  2    917.0200000              0.0000070        
  3     99.3091000              0.0007340        
  4     61.7576000             -0.0058780        
  5     38.3722000              0.0385850        
  6     23.9629000             -0.1865180        
  7     14.8518000              0.4461470        
  8      7.9748000             -0.2767230        
  9      4.7979000             -0.6689850        
 10      1.7624500              0.5133410        
 11      1.0927300              0.5929010        
 12      0.6305580              0.2922540        
 13      0.3220500              0.0368020        
 14      0.1500280              0.0018270        
 15      0.0707590              0.0017390        
S   15
  1   2324.0400000             -0.0000010        
  2    917.0200000             -0.0000020        
  3     99.3091000             -0.0002580        
  4     61.7576000              0.0019860        
  5     38.3722000             -0.0129440        
  6     23.9629000              0.0639630        
  7     14.8518000             -0.1584020        
  8      7.9748000              0.1115380        
  9      4.7979000              0.2433180        
 10      1.7624500             -0.2557840        
 11      1.0927300             -0.3014930        
 12      0.6305580             -0.2435690        
 13      0.3220500              0.0919910        
 14      0.1500280              0.4686120        
 15      0.0707590              0.5189930        
S   15
  1   2324.0400000              0.0000010        
  2    917.0200000             -0.0000140        
  3     99.3091000              0.0002500        
  4     61.7576000             -0.0001510        
  5     38.3722000             -0.0138720        
  6     23.9629000              0.1050350        
  7     14.8518000             -0.2897480        
  8      7.9748000              0.1796510        
  9      4.7979000              0.5943520        
 10      1.7624500             -0.7488720        
 11      1.0927300             -1.1281840        
 12      0.6305580              0.3356590        
 13      0.3220500              1.5685050        
 14      0.1500280              0.2609500        
 15      0.0707590             -0.7758610        
S   15
  1   2324.0400000             -0.0000090        
  2    917.0200000              0.0000410        
  3     99.3091000             -0.0020850        
  4     61.7576000              0.0096910        
  5     38.3722000             -0.0093610        
  6     23.9629000             -0.0861150        
  7     14.8518000              0.3172260        
  8      7.9748000             -0.0933720        
  9      4.7979000             -1.1703940        
 10      1.7624500              2.5650190        
 11      1.0927300              1.0641460        
 12      0.6305580             -4.0684610        
 13      0.3220500              0.4163440        
 14      0.1500280              2.2127530        
 15      0.0707590             -0.4168730        
S   15
  1   2324.0400000              0.0000200        
  2    917.0200000             -0.0000340        
  3     99.3091000              0.0040870        
  4     61.7576000             -0.0226460        
  5     38.3722000              0.0858390        
  6     23.9629000             -0.2978880        
  7     14.8518000              0.6630540        
  8      7.9748000             -0.3769950        
  9      4.7979000             -1.7399470        
 10      1.7624500              8.4493490        
 11      1.0927300             -8.5698740        
 12      0.6305580             -1.1404380        
 13      0.3220500              5.7154930        
 14      0.1500280             -2.7155450        
 15      0.0707590             -1.2377560        
S   15
  1   2324.0400000              0.0004160        
  2    917.0200000             -0.0011660        
  3     99.3091000              0.0936780        
  4     61.7576000             -0.4949870        
  5     38.3722000              1.4412710        
  6     23.9629000             -2.9997630        
  7     14.8518000              4.5126530        
  8      7.9748000             -5.6937090        
  9      4.7979000              2.4951180        
 10      1.7624500             12.9078360        
 11      1.0927300            -27.4768700        
 12      0.6305580             23.5667430        
 13      0.3220500            -10.0647980        
 14      0.1500280              0.4894190        
 15      0.0707590              2.9837850        
S   1
  1      0.0333870              1.0000000        
S   1
  1      0.0158000              1.0000000        
P   12
  1    328.7810000              0.0000100        
  2     34.4634000              0.0021880        
  3     21.5245000             -0.0247150        
  4     13.4462000              0.1189910        
  5      8.3993700             -0.1383110        
  6      5.2105900             -0.2161190        
  7      2.0397000              0.3448980        
  8      1.1690300              0.4866170        
  9      0.6362200              0.2999080        
 10      0.3221190              0.0712870        
 11      0.1443720              0.0052310        
 12      0.0637590              0.0005760        
P   12
  1    328.7810000             -0.0000030        
  2     34.4634000             -0.0006050        
  3     21.5245000              0.0070450        
  4     13.4462000             -0.0351680        
  5      8.3993700              0.0440350        
  6      5.2105900              0.0615980        
  7      2.0397000             -0.1214490        
  8      1.1690300             -0.1779290        
  9      0.6362200             -0.1200270        
 10      0.3221190              0.1180530        
 11      0.1443720              0.4178910        
 12      0.0637590              0.4778420        
P   12
  1    328.7810000             -0.0000100        
  2     34.4634000             -0.0008980        
  3     21.5245000              0.0131860        
  4     13.4462000             -0.0709570        
  5      8.3993700              0.0869630        
  6      5.2105900              0.1454040        
  7      2.0397000             -0.2952900        
  8      1.1690300             -0.4670080        
  9      0.6362200             -0.0675000        
 10      0.3221190              0.6517920        
 11      0.1443720              0.4987270        
 12      0.0637590              0.0579680        
P   12
  1    328.7810000             -0.0000250        
  2     34.4634000             -0.0001830        
  3     21.5245000              0.0148010        
  4     13.4462000             -0.0986940        
  5      8.3993700              0.1097700        
  6      5.2105900              0.3092700        
  7      2.0397000             -0.8356210        
  8      1.1690300             -0.8317760        
  9      0.6362200              1.4766380        
 10      0.3221190              0.5536050        
 11      0.1443720             -0.9377790        
 12      0.0637590             -0.2393930        
P   12
  1    328.7810000              0.0000590        
  2     34.4634000             -0.0023740        
  3     21.5245000             -0.0097520        
  4     13.4462000              0.1231730        
  5      8.3993700             -0.1055430        
  6      5.2105900             -0.7086340        
  7      2.0397000              3.3577160        
  8      1.1690300             -2.8092060        
  9      0.6362200             -1.2280120        
 10      0.3221190              2.5200060        
 11      0.1443720             -0.7479720        
 12      0.0637590             -0.4731810        
P   12
  1    328.7810000             -0.0005040        
  2     34.4634000              0.0721520        
  3     21.5245000             -0.3918880        
  4     13.4462000              1.1926390        
  5      8.3993700             -1.9979090        
  6      5.2105900              0.8884800        
  7      2.0397000              4.5723960        
  8      1.1690300             -9.4113300        
  9      0.6362200              8.2266020        
 10      0.3221190             -3.4028110        
 11      0.1443720             -0.2106510        
 12      0.0637590              0.9266450        
P   1
  1      0.0277220              1.0000000        
P   1
  1      0.0121000              1.0000000        
D   10
  1     62.0309000              0.0000860        
  2     21.0988000             -0.0007960        
  3     13.1200000              0.0091360        
  4      6.3125700             -0.0663010        
  5      2.1414500              0.1655630        
  6      1.2993700              0.2414410        
  7      0.8103580              0.2710220        
  8      0.4727070              0.2680130        
  9      0.2556480              0.1868750        
 10      0.1308950              0.0813140        
D   10
  1     62.0309000             -0.0001590        
  2     21.0988000              0.0014750        
  3     13.1200000             -0.0128510        
  4      6.3125700              0.0909690        
  5      2.1414500             -0.2740770        
  6      1.2993700             -0.4448840        
  7      0.8103580             -0.2023240        
  8      0.4727070              0.2203780        
  9      0.2556480              0.4855030        
 10      0.1308950              0.3016470        
D   10
  1     62.0309000              0.0005970        
  2     21.0988000             -0.0065350        
  3     13.1200000              0.0294950        
  4      6.3125700             -0.1581000        
  5      2.1414500              0.6914270        
  6      1.2993700              0.5919970        
  7      0.8103580             -0.7766420        
  8      0.4727070             -0.7384040        
  9      0.2556480              0.1831700        
 10      0.1308950              0.5878850        
D   10
  1     62.0309000              0.0005220        
  2     21.0988000             -0.0063810        
  3     13.1200000              0.0389850        
  4      6.3125700             -0.2607860        
  5      2.1414500              2.0352880        
  6      1.2993700             -1.3991200        
  7      0.8103580             -1.4153190        
  8      0.4727070              1.1668610        
  9      0.2556480              0.7703110        
 10      0.1308950             -0.6531500        
D   10
  1     62.0309000              0.0066450        
  2     21.0988000             -0.0728300        
  3     13.1200000              0.1334930        
  4      6.3125700              0.1136240        
  5      2.1414500             -3.8897240        
  6      1.2993700              7.9048990        
  7      0.8103580             -5.6743970        
  8      0.4727070              0.4856670        
  9      0.2556480              1.2298520        
 10      0.1308950             -0.0718890        
D   1
  1      0.0627790              1.0000000        
D   1
  1      0.0301000              1.0000000        
F   1
  1      2.3078000              1.0000000        
F   1
  1      1.1338000              1.0000000        
F   1
  1      0.5571000              1.0000000        
F   1
  1      0.2737000              1.0000000        
F   1
  1      0.1095000              1.0000000        
G   1
  1      2.5570000              1.0000000        
G   1
  1      1.1302000              1.0000000        
G   1
  1      0.4996000              1.0000000        
G   1
  1      0.2065000              1.0000000        
H   1
  1      2.0148000              1.0000000        
H   1
  1      0.8107000              1.0000000        
H   1
  1      0.3525000              1.0000000        
I   1
  1      1.6822000              1.0000000        
I   1
  1      0.8919000              1.0000000        


name: aug-cc-pV5Z-PP
description: V5ZPD Valence Quintuple Zeta + Polarization on All Atoms
elt: Hg
data:
MERCURY
S   15
  1  24256.2000000              0.0000030        
  2   3773.4800000              0.0000180        
  3    899.9870000              0.0000790        
  4    252.0940000              0.0002410        
  5     34.3579000              0.0149450        
  6     21.3757000             -0.1402310        
  7     13.3011000              0.4915750        
  8      8.2431100             -0.3623860        
  9      4.9065100             -0.6738120        
 10      1.9632300              0.4542010        
 11      1.2039600              0.6644760        
 12      0.6707910              0.3089550        
 13      0.3304660              0.0321810        
 14      0.1568260             -0.0000440        
 15      0.0736300              0.0003260        
S   15
  1  24256.2000000             -0.0000010        
  2   3773.4800000             -0.0000070        
  3    899.9870000             -0.0000290        
  4    252.0940000             -0.0000970        
  5     34.3579000             -0.0049950        
  6     21.3757000              0.0491500        
  7     13.3011000             -0.1827300        
  8      8.2431100              0.1565560        
  9      4.9065100              0.2414620        
 10      1.9632300             -0.2299770        
 11      1.2039600             -0.3456990        
 12      0.6707910             -0.2495710        
 13      0.3304660              0.1161800        
 14      0.1568260              0.4871720        
 15      0.0736300              0.5069390        
S   15
  1  24256.2000000             -0.0000020        
  2   3773.4800000             -0.0000170        
  3    899.9870000             -0.0000590        
  4    252.0940000             -0.0002570        
  5     34.3579000             -0.0089590        
  6     21.3757000              0.0993720        
  7     13.3011000             -0.3892820        
  8      8.2431100              0.3190820        
  9      4.9065100              0.6496910        
 10      1.9632300             -0.7945380        
 11      1.2039600             -1.4060670        
 12      0.6707910              0.6675340        
 13      0.3304660              1.7043280        
 14      0.1568260             -0.1245670        
 15      0.0736300             -0.8011920        
S   15
  1  24256.2000000             -0.0000020        
  2   3773.4800000             -0.0000310        
  3    899.9870000             -0.0000380        
  4    252.0940000             -0.0005310        
  5     34.3579000             -0.0002660        
  6     21.3757000              0.0731990        
  7     13.3011000             -0.3664980        
  8      8.2431100              0.1094650        
  9      4.9065100              1.5137210        
 10      1.9632300             -3.2985820        
 11      1.2039600             -0.8118000        
 12      0.6707910              5.2250350        
 13      0.3304660             -2.1531590        
 14      0.1568260             -1.7372880        
 15      0.0736300              1.2073990        
S   15
  1  24256.2000000              0.0000060        
  2   3773.4800000              0.0000200        
  3    899.9870000              0.0002590        
  4    252.0940000              0.0000910        
  5     34.3579000              0.0479380        
  6     21.3757000             -0.3555650        
  7     13.3011000              1.2352560        
  8      8.2431100             -1.2614050        
  9      4.9065100             -1.8952780        
 10      1.9632300             12.3238010        
 11      1.2039600            -16.1789660        
 12      0.6707910              5.7670460        
 13      0.3304660              3.3827640        
 14      0.1568260             -4.6070450        
 15      0.0736300              1.4773980        
S   15
  1  24256.2000000              0.0000370        
  2   3773.4800000             -0.0002500        
  3    899.9870000              0.0023360        
  4    252.0940000             -0.0071530        
  5     34.3579000              0.5499930        
  6     21.3757000             -2.9698880        
  7     13.3011000              8.4001390        
  8      8.2431100            -13.2880990        
  9      4.9065100              9.4759520        
 10      1.9632300              4.2099070        
 11      1.2039600            -18.5514760        
 12      0.6707910             22.5058300        
 13      0.3304660            -16.4322810        
 14      0.1568260              8.4903940        
 15      0.0736300             -2.0261440        
S   1
  1      0.0344940              1.0000000        
S   1
  1      0.0162000              1.0000000        
P   12
  1    288.3090000              0.0000210        
  2     36.9924000              0.0018080        
  3     22.7990000             -0.0173540        
  4     13.0084000              0.1210320        
  5      8.1259700             -0.1882700        
  6      5.0778000             -0.1876530        
  7      2.1721700              0.3651650        
  8      1.2037300              0.5184010        
  9      0.6327000              0.2812800        
 10      0.3046780              0.0517170        
 11      0.1378950              0.0024510        
 12      0.0613020              0.0007250        
P   12
  1    288.3090000             -0.0000060        
  2     36.9924000             -0.0004730        
  3     22.7990000              0.0047100        
  4     13.0084000             -0.0345910        
  5      8.1259700              0.0577730        
  6      5.0778000              0.0499530        
  7      2.1721700             -0.1229220        
  8      1.2037300             -0.1841060        
  9      0.6327000             -0.0998690        
 10      0.3046780              0.1448820        
 11      0.1378950              0.4229010        
 12      0.0613020              0.4578930        
P   12
  1    288.3090000             -0.0000160        
  2     36.9924000             -0.0008160        
  3     22.7990000              0.0092200        
  4     13.0084000             -0.0716170        
  5      8.1259700              0.1189490        
  6      5.0778000              0.1172920        
  7      2.1721700             -0.2895890        
  8      1.2037300             -0.4859980        
  9      0.6327000              0.0129370        
 10      0.3046780              0.6697570        
 11      0.1378950              0.4412980        
 12      0.0613020              0.0470940        
P   12
  1    288.3090000              0.0000400        
  2     36.9924000              0.0002120        
  3     22.7990000             -0.0101090        
  4     13.0084000              0.1037390        
  5      8.1259700             -0.1635530        
  6      5.0778000             -0.2842960        
  7      2.1721700              0.8632620        
  8      1.2037300              0.8006590        
  9      0.6327000             -1.6073300        
 10      0.3046780             -0.3404670        
 11      0.1378950              0.9449840        
 12      0.0613020              0.1575370        
P   12
  1    288.3090000             -0.0000840        
  2     36.9924000              0.0012770        
  3     22.7990000              0.0088120        
  4     13.0084000             -0.1473780        
  5      8.1259700              0.2207080        
  6      5.0778000              0.6673770        
  7      2.1721700             -3.3382180        
  8      1.2037300              2.9409630        
  9      0.6327000              0.7752990        
 10      0.3046780             -2.3927820        
 11      0.1378950              1.0171480        
 12      0.0613020              0.3120220        
P   12
  1    288.3090000              0.0007530        
  2     36.9924000             -0.0668820        
  3     22.7990000              0.3141000        
  4     13.0084000             -1.1946480        
  5      8.1259700              2.4403600        
  6      5.0778000             -1.4844780        
  7      2.1721700             -3.6799730        
  8      1.2037300              8.1501310        
  9      0.6327000             -7.6441180        
 10      0.3046780              3.8692040        
 11      0.1378950             -0.5225200        
 12      0.0613020             -0.6150040        
P   1
  1      0.0269050              1.0000000        
P   1
  1      0.0118000              1.0000000        
D   10
  1    154.4910000              0.0000180        
  2     37.9614000              0.0003490        
  3     23.3802000             -0.0014990        
  4     14.3727000              0.0093000        
  5      6.6541500             -0.0667360        
  6      2.2020300              0.2007360        
  7      1.2220700              0.3346350        
  8      0.6600980              0.3302200        
  9      0.3460210              0.2287980        
 10      0.1747850              0.1025690        
D   10
  1    154.4910000              0.0000040        
  2     37.9614000             -0.0011470        
  3     23.3802000              0.0042700        
  4     14.3727000             -0.0161490        
  5      6.6541500              0.1016560        
  6      2.2020300             -0.3968020        
  7      1.2220700             -0.5537970        
  8      0.6600980              0.1165630        
  9      0.3460210              0.5310330        
 10      0.1747850              0.3419080        
D   10
  1    154.4910000              0.0001880        
  2     37.9614000             -0.0058490        
  3     23.3802000              0.0211390        
  4     14.3727000             -0.0471680        
  5      6.6541500              0.1905930        
  6      2.2020300             -1.0589730        
  7      1.2220700             -0.0180850        
  8      0.6600980              1.3513820        
  9      0.3460210             -0.2038810        
 10      0.1747850             -0.6419630        
D   10
  1    154.4910000              0.0006730        
  2     37.9614000             -0.0124050        
  3     23.3802000              0.0394630        
  4     14.3727000             -0.0309370        
  5      6.6541500             -0.1963830        
  6      2.2020300              2.4360170        
  7      1.2220700             -3.4313870        
  8      0.6600980              1.1267870        
  9      0.3460210              1.1238320        
 10      0.1747850             -0.8229660        
D   10
  1    154.4910000              0.0060650        
  2     37.9614000             -0.1324840        
  3     23.3802000              0.4485970        
  4     14.3727000             -0.6302650        
  5      6.6541500              0.4723660        
  6      2.2020300              1.9586280        
  7      1.2220700             -5.3396920        
  8      0.6600980              6.6326640        
  9      0.3460210             -4.7620760        
 10      0.1747850              1.5787430        
D   1
  1      0.0831130              1.0000000        
D   1
  1      0.0395000              1.0000000        
F   1
  1      2.5850000              1.0000000        
F   1
  1      1.2745000              1.0000000        
F   1
  1      0.6284000              1.0000000        
F   1
  1      0.3098000              1.0000000        
F   1
  1      0.1258000              1.0000000        
G   1
  1      2.8458000              1.0000000        
G   1
  1      1.2668000              1.0000000        
G   1
  1      0.5639000              1.0000000        
G   1
  1      0.2372000              1.0000000        
H   1
  1      2.1886000              1.0000000        
H   1
  1      0.8884000              1.0000000        
H   1
  1      0.3915000              1.0000000        
I   1
  1      1.8261000              1.0000000        
I   1
  1      0.9888000              1.0000000        


name: aug-cc-pV5Z-PP
description: V5ZPD Valence Quintuple Zeta + Polarization on All Atoms
elt: Tl
data:
THALLIUM
S   11
  1  24779.2000000              0.0000020        
  2   4291.5900000              0.0000140        
  3   1100.5600000              0.0000640        
  4    301.3150000              0.0002190        
  5     33.6611000              0.0216670        
  6     21.0398000             -0.1981520        
  7     13.1518000              0.6902620        
  8      8.2204900             -0.6242260        
  9      4.8960100             -0.6028630        
 10      2.0188000              0.5829170        
 11      1.1647400              0.6744600        
S   11
  1  24779.2000000              0.0000010        
  2   4291.5900000              0.0000060        
  3   1100.5600000              0.0000240        
  4    301.3150000              0.0001000        
  5     33.6611000              0.0074740        
  6     21.0398000             -0.0732470        
  7     13.1518000              0.2725540        
  8      8.2204900             -0.2751310        
  9      4.8960100             -0.2303460        
 10      2.0188000              0.3044120        
 11      1.1647400              0.4276890        
S   1
  1      0.6402480              1.0000000        
S   1
  1      0.3292660              1.0000000        
S   1
  1      0.1685090              1.0000000        
S   1
  1      0.0836670              1.0000000        
S   1
  1      0.0397310              1.0000000        
S   1
  1      0.0139000              1.0000000        
P   8
  1    238.8160000              0.0000550        
  2     33.7189000              0.0031600        
  3     21.0738000             -0.0278660        
  4     13.1714000              0.1259630        
  5      6.9298400             -0.3211460        
  6      4.3311200             -0.0566560        
  7      2.1490400              0.4499920        
  8      1.1560700              0.5213450        
P   8
  1    238.8160000             -0.0000160        
  2     33.7189000             -0.0006410        
  3     21.0738000              0.0062120        
  4     13.1714000             -0.0306000        
  5      6.9298400              0.0856170        
  6      4.3311200              0.0064970        
  7      2.1490400             -0.1295200        
  8      1.1560700             -0.1654470        
P   1
  1      0.5955190              1.0000000        
P   1
  1      0.2689230              1.0000000        
P   1
  1      0.1217440              1.0000000        
P   1
  1      0.0541370              1.0000000        
P   1
  1      0.0238510              1.0000000        
P   1
  1      0.0079000              1.0000000        
D   8
  1    359.9200000              0.0000040        
  2    141.7010000              0.0000280        
  3     51.3298000              0.0002060        
  4     10.5875000              0.0197440        
  5      6.4543600             -0.0905470        
  6      2.4050100              0.1826240        
  7      1.4472400              0.2889170        
  8      0.8698190              0.3047840        
D   1
  1      0.5052270              1.0000000        
D   1
  1      0.2783030              1.0000000        
D   1
  1      0.1438170              1.0000000        
D   1
  1      0.0620000              1.0000000        
D   1
  1      0.0217000              1.0000000        
F   1
  1      0.5080000              1.0000000        
F   1
  1      0.2518000              1.0000000        
F   1
  1      0.1248000              1.0000000        
F   1
  1      0.0470000              1.0000000        
G   1
  1      0.5124000              1.0000000        
G   1
  1      0.2420000              1.0000000        
G   1
  1      0.0990000              1.0000000        
H   1
  1      0.4583000              1.0000000        
H   1
  1      0.2315000              1.0000000        


name: aug-cc-pV5Z-PP
description: V5ZPD Valence Quintuple Zeta + Polarization on All Atoms
elt: Pb
data:
LEAD
S   11
  1  24689.5000000              0.0000040        
  2   4473.2300000              0.0000230        
  3   1061.6600000              0.0001140        
  4    279.2390000              0.0003680        
  5     34.7542000              0.0230860        
  6     21.7097000             -0.2044980        
  7     13.5637000              0.7125610        
  8      8.4734700             -0.6539600        
  9      5.1195600             -0.6010240        
 10      2.1199600              0.5864660        
 11      1.2552900              0.6575120        
S   11
  1  24689.5000000              0.0000020        
  2   4473.2300000              0.0000110        
  3   1061.6600000              0.0000470        
  4    279.2390000              0.0001790        
  5     34.7542000              0.0084660        
  6     21.7097000             -0.0804050        
  7     13.5637000              0.3008160        
  8      8.4734700             -0.3110180        
  9      5.1195600             -0.2413340        
 10      2.1199600              0.3276360        
 11      1.2552900              0.4519120        
S   1
  1      0.7202840              1.0000000        
S   1
  1      0.3778020              1.0000000        
S   1
  1      0.1976990              1.0000000        
S   1
  1      0.0986230              1.0000000        
S   1
  1      0.0470370              1.0000000        
S   1
  1      0.0190000              1.0000000        
P   8
  1    240.5890000              0.0000700        
  2     39.7768000              0.0015640        
  3     20.4279000             -0.0264930        
  4     12.7405000              0.1588410        
  5      7.5519000             -0.3274080        
  6      4.7200300             -0.1057490        
  7      2.3715200              0.4192430        
  8      1.2982400              0.5397190        
P   8
  1    240.5890000             -0.0000240        
  2     39.7768000             -0.0003750        
  3     20.4279000              0.0070140        
  4     12.7405000             -0.0458000        
  5      7.5519000              0.1031770        
  6      4.7200300              0.0213640        
  7      2.3715200             -0.1410220        
  8      1.2982400             -0.2019880        
P   1
  1      0.6810700              1.0000000        
P   1
  1      0.3176500              1.0000000        
P   1
  1      0.1513980              1.0000000        
P   1
  1      0.0703100              1.0000000        
P   1
  1      0.0318450              1.0000000        
P   1
  1      0.0130000              1.0000000        
D   8
  1    345.3720000              0.0000090        
  2    117.6440000              0.0000650        
  3     46.1653000              0.0003370        
  4     12.5614000              0.0114430        
  5      6.7103300             -0.0753070        
  6      2.5823000              0.1800080        
  7      1.5720800              0.2985180        
  8      0.9394450              0.3215610        
D   1
  1      0.5416330              1.0000000        
D   1
  1      0.3005880              1.0000000        
D   1
  1      0.1597120              1.0000000        
D   1
  1      0.0726000              1.0000000        
D   1
  1      0.0294000              1.0000000        
F   1
  1      0.5329000              1.0000000        
F   1
  1      0.2677000              1.0000000        
F   1
  1      0.1345000              1.0000000        
F   1
  1      0.0585000              1.0000000        
G   1
  1      0.5368000              1.0000000        
G   1
  1      0.2550000              1.0000000        
G   1
  1      0.1156000              1.0000000        
H   1
  1      0.4831000              1.0000000        
H   1
  1      0.2593000              1.0000000        


name: aug-cc-pV5Z-PP
description: V5ZPD Valence Quintuple Zeta + Polarization on All Atoms
elt: Bi
data:
BISMUTH
S   11
  1  26111.4000000              0.0000070        
  2   3868.0900000              0.0000520        
  3    869.4990000              0.0002450        
  4    238.7410000              0.0006630        
  5     36.6745000              0.0211220        
  6     22.9129000             -0.1819260        
  7     14.3185000              0.6347220        
  8      8.9484800             -0.5465570        
  9      5.2606800             -0.7303930        
 10      3.1208900              0.2672950        
 11      1.7055600              0.8380310        
S   11
  1  26111.4000000             -0.0000030        
  2   3868.0900000             -0.0000260        
  3    869.4990000             -0.0001150        
  4    238.7410000             -0.0003420        
  5     36.6745000             -0.0083840        
  6     22.9129000              0.0766690        
  7     14.3185000             -0.2880390        
  8      8.9484800              0.2856240        
  9      5.2606800              0.3183520        
 10      3.1208900             -0.1487960        
 11      1.7055600             -0.5500530        
S   1
  1      0.9284240              1.0000000        
S   1
  1      0.4337070              1.0000000        
S   1
  1      0.2386830              1.0000000        
S   1
  1      0.1202630              1.0000000        
S   1
  1      0.0577550              1.0000000        
S   1
  1      0.0233000              1.0000000        
P   8
  1    267.3460000              0.0000840        
  2     50.0862000              0.0009300        
  3     20.5562000             -0.0243210        
  4     12.8441000              0.1731620        
  5      8.0272800             -0.3326240        
  6      5.0173400             -0.1218380        
  7      2.5056800              0.4228110        
  8      1.3820500              0.5453330        
P   8
  1    267.3460000             -0.0000310        
  2     50.0862000             -0.0002620        
  3     20.5562000              0.0072640        
  4     12.8441000             -0.0564200        
  5      8.0272800              0.1186900        
  6      5.0173400              0.0274020        
  7      2.5056800             -0.1597200        
  8      1.3820500             -0.2315390        
P   1
  1      0.7339630              1.0000000        
P   1
  1      0.3494940              1.0000000        
P   1
  1      0.1712190              1.0000000        
P   1
  1      0.0821660              1.0000000        
P   1
  1      0.0383820              1.0000000        
P   1
  1      0.0160000              1.0000000        
D   8
  1    174.9150000              0.0000580        
  2     51.9301000              0.0004330        
  3     13.6852000              0.0103670        
  4      6.8874300             -0.0777290        
  5      4.1825000              0.0106610        
  6      2.6122700              0.2111050        
  7      1.5458400              0.3425200        
  8      0.8937710              0.3300380        
D   1
  1      0.5018990              1.0000000        
D   1
  1      0.2723090              1.0000000        
D   1
  1      0.1484480              1.0000000        
D   1
  1      0.0788000              1.0000000        
D   1
  1      0.0348000              1.0000000        
F   1
  1      0.5654000              1.0000000        
F   1
  1      0.2937000              1.0000000        
F   1
  1      0.1525000              1.0000000        
F   1
  1      0.0635000              1.0000000        
G   1
  1      0.5762000              1.0000000        
G   1
  1      0.2802000              1.0000000        
G   1
  1      0.1236000              1.0000000        
H   1
  1      0.5223000              1.0000000        
H   1
  1      0.2543000              1.0000000        


name: aug-cc-pV5Z-PP
description: V5ZPD Valence Quintuple Zeta + Polarization on All Atoms
elt: Po
data:
POLONIUM
S   11
  1  24093.4000000              0.0000140        
  2   3632.1700000              0.0001030        
  3    822.3080000              0.0004690        
  4    227.4720000              0.0012100        
  5     38.3868000              0.0224960        
  6     23.9396000             -0.1768370        
  7     14.7926000              0.6262920        
  8      9.2393100             -0.5346900        
  9      5.5759400             -0.7302180        
 10      3.2541200              0.2305460        
 11      1.8347100              0.8404390        
S   11
  1  24093.4000000             -0.0000070        
  2   3632.1700000             -0.0000550        
  3    822.3080000             -0.0002430        
  4    227.4720000             -0.0006680        
  5     38.3868000             -0.0096130        
  6     23.9396000              0.0786800        
  7     14.7926000             -0.3009170        
  8      9.2393100              0.3021880        
  9      5.5759400              0.3263160        
 10      3.2541200             -0.1338620        
 11      1.8347100             -0.5836760        
S   1
  1      1.0106300              1.0000000        
S   1
  1      0.4702110              1.0000000        
S   1
  1      0.2606210              1.0000000        
S   1
  1      0.1321390              1.0000000        
S   1
  1      0.0631820              1.0000000        
S   1
  1      0.0252000              1.0000000        
P   8
  1    300.3270000              0.0000980        
  2     59.9384000              0.0007980        
  3     21.0811000             -0.0223260        
  4     13.1688000              0.1717270        
  5      8.2240900             -0.3464910        
  6      5.1369000             -0.1101690        
  7      2.6029200              0.4385830        
  8      1.4465300              0.5437050        
P   8
  1    300.3270000             -0.0000390        
  2     59.9384000             -0.0002510        
  3     21.0811000              0.0070940        
  4     13.1688000             -0.0603580        
  5      8.2240900              0.1344540        
  6      5.1369000              0.0228340        
  7      2.6029200             -0.1790820        
  8      1.4465300             -0.2575900        
P   1
  1      0.7783430              1.0000000        
P   1
  1      0.3785540              1.0000000        
P   1
  1      0.1850400              1.0000000        
P   1
  1      0.0884920              1.0000000        
P   1
  1      0.0412740              1.0000000        
P   1
  1      0.0178000              1.0000000        
D   8
  1    174.4440000              0.0000790        
  2     52.2233000              0.0005800        
  3     14.5970000              0.0100390        
  4      7.0593700             -0.0800950        
  5      4.3570700              0.0199620        
  6      2.7184400              0.2167420        
  7      1.6501100              0.3354280        
  8      0.9858520              0.3198530        
D   1
  1      0.5725360              1.0000000        
D   1
  1      0.3236310              1.0000000        
D   1
  1      0.1852220              1.0000000        
D   1
  1      0.0915000              1.0000000        
D   1
  1      0.0415000              1.0000000        
F   1
  1      0.5912000              1.0000000        
F   1
  1      0.3063000              1.0000000        
F   1
  1      0.1587000              1.0000000        
F   1
  1      0.0717000              1.0000000        
G   1
  1      0.5800000              1.0000000        
G   1
  1      0.2738000              1.0000000        
G   1
  1      0.1323000              1.0000000        
H   1
  1      0.5070000              1.0000000        
H   1
  1      0.2831000              1.0000000        


name: aug-cc-pV5Z-PP
description: V5ZPD Valence Quintuple Zeta + Polarization on All Atoms
elt: At
data:
ASTATINE
S   11
  1  26533.4000000              0.0000090        
  2   3957.8600000              0.0000710        
  3    892.4600000              0.0003240        
  4    245.3390000              0.0008230        
  5     39.2694000              0.0191060        
  6     24.4820000             -0.1706520        
  7     15.2914000              0.6242990        
  8      9.5451100             -0.5482790        
  9      5.7515200             -0.7499610        
 10      3.5158900              0.2444150        
 11      1.9380100              0.8604720        
S   11
  1  26533.4000000             -0.0000050        
  2   3957.8600000             -0.0000390        
  3    892.4600000             -0.0001700        
  4    245.3390000             -0.0004660        
  5     39.2694000             -0.0082220        
  6     24.4820000              0.0784400        
  7     15.2914000             -0.3122490        
  8      9.5451100              0.3244810        
  9      5.7515200              0.3473100        
 10      3.5158900             -0.1448050        
 11      1.9380100             -0.6300520        
S   1
  1      1.0751200              1.0000000        
S   1
  1      0.5125820              1.0000000        
S   1
  1      0.2799900              1.0000000        
S   1
  1      0.1424200              1.0000000        
S   1
  1      0.0682950              1.0000000        
S   1
  1      0.0269000              1.0000000        
P   8
  1    328.9750000              0.0001180        
  2     69.3728000              0.0008030        
  3     21.6799000             -0.0203320        
  4     13.5451000              0.1681760        
  5      8.4637200             -0.3521700        
  6      5.2876300             -0.1046990        
  7      2.7272200              0.4428480        
  8      1.5366300              0.5407520        
P   8
  1    328.9750000             -0.0000510        
  2     69.3728000             -0.0002800        
  3     21.6799000              0.0067640        
  4     13.5451000             -0.0631320        
  5      8.4637200              0.1472460        
  6      5.2876300              0.0201990        
  7      2.7272200             -0.1946720        
  8      1.5366300             -0.2793810        
P   1
  1      0.8423330              1.0000000        
P   1
  1      0.4220430              1.0000000        
P   1
  1      0.2090570              1.0000000        
P   1
  1      0.1006150              1.0000000        
P   1
  1      0.0469200              1.0000000        
P   1
  1      0.0205000              1.0000000        
D   8
  1    180.1330000              0.0001010        
  2     53.4782000              0.0007500        
  3     15.4735000              0.0100230        
  4      7.1490000             -0.0856100        
  5      4.4604700              0.0377150        
  6      2.7588100              0.2315430        
  7      1.7221100              0.3222190        
  8      1.0707400              0.3038550        
D   1
  1      0.6403180              1.0000000        
D   1
  1      0.3662910              1.0000000        
D   1
  1      0.2051390              1.0000000        
D   1
  1      0.1017000              1.0000000        
D   1
  1      0.0510000              1.0000000        
F   1
  1      0.6331000              1.0000000        
F   1
  1      0.3439000              1.0000000        
F   1
  1      0.1868000              1.0000000        
F   1
  1      0.0978000              1.0000000        
G   1
  1      0.6184000              1.0000000        
G   1
  1      0.2983000              1.0000000        
G   1
  1      0.1525000              1.0000000        
H   1
  1      0.5419000              1.0000000        
H   1
  1      0.3298000              1.0000000        


name: aug-cc-pV5Z-PP
description: V5ZPD Valence Quintuple Zeta + Polarization on All Atoms
elt: Rn
data:
RADON
S   11
  1  30127.1000000              0.0000160        
  2   4530.1400000              0.0001220        
  3   1029.7900000              0.0005590        
  4    286.3910000              0.0014970        
  5     65.2693000              0.0045550        
  6     25.2287000             -0.1090850        
  7     15.7590000              0.5170670        
  8      9.8436800             -0.4760410        
  9      6.0108400             -0.7241700        
 10      3.1828000              0.3018500        
 11      1.9239900              0.8301260        
S   11
  1  30127.1000000             -0.0000090        
  2   4530.1400000             -0.0000720        
  3   1029.7900000             -0.0003220        
  4    286.3910000             -0.0009080        
  5     65.2693000             -0.0022830        
  6     25.2287000              0.0539020        
  7     15.7590000             -0.2771330        
  8      9.8436800              0.3097650        
  9      6.0108400              0.3468490        
 10      3.1828000             -0.2081180        
 11      1.9239900             -0.6536280        
S   1
  1      1.0941600              1.0000000        
S   1
  1      0.5385400              1.0000000        
S   1
  1      0.2864980              1.0000000        
S   1
  1      0.1474430              1.0000000        
S   1
  1      0.0720380              1.0000000        
S   1
  1      0.0286000              1.0000000        
P   8
  1    355.9650000              0.0001420        
  2     77.6233000              0.0008820        
  3     22.2008000             -0.0189140        
  4     13.8732000              0.1684280        
  5      8.6706300             -0.3682600        
  6      5.4171300             -0.0886670        
  7      2.8000500              0.4718560        
  8      1.5780700              0.5371120        
P   8
  1    355.9650000             -0.0000640        
  2     77.6233000             -0.0003340        
  3     22.2008000              0.0063940        
  4     13.8732000             -0.0661310        
  5      8.6706300              0.1624850        
  6      5.4171300              0.0119280        
  7      2.8000500             -0.2198970        
  8      1.5780700             -0.2998260        
P   1
  1      0.8689520              1.0000000        
P   1
  1      0.4447990              1.0000000        
P   1
  1      0.2228420              1.0000000        
P   1
  1      0.1088390              1.0000000        
P   1
  1      0.0514910              1.0000000        
P   1
  1      0.0232000              1.0000000        
D   8
  1    180.8880000              0.0001330        
  2     53.8241000              0.0009720        
  3     16.1471000              0.0106480        
  4      7.4060200             -0.0853360        
  5      4.6258700              0.0400760        
  6      2.8680400              0.2559490        
  7      1.7145200              0.3777430        
  8      1.0040200              0.3027090        
D   1
  1      0.5918640              1.0000000        
D   1
  1      0.3663050              1.0000000        
D   1
  1      0.2265360              1.0000000        
D   1
  1      0.1222000              1.0000000        
D   1
  1      0.0605000              1.0000000        
F   1
  1      0.6669000              1.0000000        
F   1
  1      0.3861000              1.0000000        
F   1
  1      0.2235000              1.0000000        
F   1
  1      0.1239000              1.0000000        
G   1
  1      0.6682000              1.0000000        
G   1
  1      0.3280000              1.0000000        
G   1
  1      0.1727000              1.0000000        
H   1
  1      0.5901000              1.0000000        
H   1
  1      0.3765000              1.0000000        


name: aug-cc-pV5Z_OPTRI
description: CABS RI basis sets for F12 matched to aug-cc-pVnZ orbital basis sets
elt: H
data:
HYDROGEN
S   1
  1      7.2570890              1.0000000        
S   1
  1      2.2429910              1.0000000        
S   1
  1      0.8543460              1.0000000        
S   1
  1      0.3066780              1.0000000        
P   1
  1     22.6327350              1.0000000        
P   1
  1      6.7946560              1.0000000        
P   1
  1      2.6241450              1.0000000        
P   1
  1      0.9777040              1.0000000        
D   1
  1      4.5808320              1.0000000        
D   1
  1      1.8686230              1.0000000        
D   1
  1      0.7406740              1.0000000        
F   1
  1      3.7588180              1.0000000        
F   1
  1      1.3133220              1.0000000        
F   1
  1      0.5827880              1.0000000        
G   1
  1      3.5254090              1.0000000        
G   1
  1      1.2606730              1.0000000        
H   1
  1      2.5109650              1.0000000        


name: aug-cc-pV5Z_OPTRI
description: CABS RI basis sets for F12 matched to aug-cc-pVnZ orbital basis sets
elt: He
data:
HELIUM
S   1
  1     18.0833410              1.0000000        
S   1
  1      5.3720140              1.0000000        
S   1
  1      1.8907970              1.0000000        
S   1
  1      0.6801770              1.0000000        
P   1
  1     36.6389970              1.0000000        
P   1
  1      5.5954620              1.0000000        
P   1
  1      2.3530560              1.0000000        
P   1
  1      0.7234600              1.0000000        
D   1
  1     20.3357010              1.0000000        
D   1
  1      4.9120200              1.0000000        
D   1
  1      1.5951580              1.0000000        
F   1
  1     10.1331940              1.0000000        
F   1
  1      3.3175600              1.0000000        
F   1
  1      1.0280910              1.0000000        
G   1
  1      5.7828200              1.0000000        
G   1
  1      1.8953390              1.0000000        
H   1
  1      3.9184220              1.0000000        


name: aug-cc-pV5Z_OPTRI
description: CABS RI basis sets for F12 matched to aug-cc-pVnZ orbital basis sets
elt: B
data:
BORON
S   1
  1      3.0318070              1.0000000        
S   1
  1      0.7839850              1.0000000        
S   1
  1      0.2727630              1.0000000        
S   1
  1      0.1048720              1.0000000        
P   1
  1      2.8848580              1.0000000        
P   1
  1      1.2906320              1.0000000        
P   1
  1      0.4378920              1.0000000        
P   1
  1      0.1845040              1.0000000        
P   1
  1      0.0746350              1.0000000        
D   1
  1      4.8098390              1.0000000        
D   1
  1      3.1027280              1.0000000        
D   1
  1      1.2342890              1.0000000        
D   1
  1      0.4740350              1.0000000        
F   1
  1      3.4418140              1.0000000        
F   1
  1      0.8086950              1.0000000        
F   1
  1      0.3500420              1.0000000        
G   1
  1      2.1779590              1.0000000        
G   1
  1      0.6924940              1.0000000        
G   1
  1      0.1035150              1.0000000        
H   1
  1      1.3262350              1.0000000        
H   1
  1      0.2562270              1.0000000        
I   1
  1      0.8507250              1.0000000        


name: aug-cc-pV5Z_OPTRI
description: CABS RI basis sets for F12 matched to aug-cc-pVnZ orbital basis sets
elt: C
data:
CARBON
S   1
  1      4.5004950              1.0000000        
S   1
  1      1.1035870              1.0000000        
S   1
  1      0.3849330              1.0000000        
S   1
  1      0.1526580              1.0000000        
P   1
  1      4.1606640              1.0000000        
P   1
  1      1.6261630              1.0000000        
P   1
  1      0.6783280              1.0000000        
P   1
  1      0.2997450              1.0000000        
P   1
  1      0.1219200              1.0000000        
D   1
  1     10.1380890              1.0000000        
D   1
  1      5.2445430              1.0000000        
D   1
  1      1.9905050              1.0000000        
D   1
  1      0.7542460              1.0000000        
F   1
  1      4.9040340              1.0000000        
F   1
  1      1.2558070              1.0000000        
F   1
  1      0.5408400              1.0000000        
G   1
  1      3.5249200              1.0000000        
G   1
  1      1.0127920              1.0000000        
G   1
  1      0.1147860              1.0000000        
H   1
  1      2.3396300              1.0000000        
H   1
  1      0.3913170              1.0000000        
I   1
  1      1.2459670              1.0000000        


name: aug-cc-pV5Z_OPTRI
description: CABS RI basis sets for F12 matched to aug-cc-pVnZ orbital basis sets
elt: N
data:
NITROGEN
S   1
  1      6.3232820              1.0000000        
S   1
  1      1.3939630              1.0000000        
S   1
  1      0.5309000              1.0000000        
S   1
  1      0.2091620              1.0000000        
P   1
  1      6.6139280              1.0000000        
P   1
  1      2.6439980              1.0000000        
P   1
  1      1.0040260              1.0000000        
P   1
  1      0.4368750              1.0000000        
P   1
  1      0.1596390              1.0000000        
D   1
  1     13.5171600              1.0000000        
D   1
  1      6.9593990              1.0000000        
D   1
  1      3.0913940              1.0000000        
D   1
  1      1.1198200              1.0000000        
F   1
  1      7.0600140              1.0000000        
F   1
  1      1.8023900              1.0000000        
F   1
  1      0.7384730              1.0000000        
G   1
  1      5.0194910              1.0000000        
G   1
  1      1.4041190              1.0000000        
G   1
  1      0.1348280              1.0000000        
H   1
  1      3.4552510              1.0000000        
H   1
  1      0.5275680              1.0000000        
I   1
  1      1.9414710              1.0000000        


name: aug-cc-pV5Z_OPTRI
description: CABS RI basis sets for F12 matched to aug-cc-pVnZ orbital basis sets
elt: O
data:
OXYGEN
S   1
  1      8.4797640              1.0000000        
S   1
  1      1.7082740              1.0000000        
S   1
  1      0.7589520              1.0000000        
S   1
  1      0.2746680              1.0000000        
P   1
  1      8.9536530              1.0000000        
P   1
  1      3.1404980              1.0000000        
P   1
  1      1.3164560              1.0000000        
P   1
  1      0.5216180              1.0000000        
P   1
  1      0.1928450              1.0000000        
D   1
  1     23.2590920              1.0000000        
D   1
  1      9.3218050              1.0000000        
D   1
  1      3.4565030              1.0000000        
D   1
  1      1.3590800              1.0000000        
F   1
  1      9.9072490              1.0000000        
F   1
  1      2.4423480              1.0000000        
F   1
  1      0.9200130              1.0000000        
G   1
  1      6.4279160              1.0000000        
G   1
  1      1.9843210              1.0000000        
G   1
  1      0.3397690              1.0000000        
H   1
  1      4.4290120              1.0000000        
H   1
  1      0.6857020              1.0000000        
I   1
  1      2.2264960              1.0000000        


name: aug-cc-pV5Z_OPTRI
description: CABS RI basis sets for F12 matched to aug-cc-pVnZ orbital basis sets
elt: F
data:
FLUORINE
S   1
  1     11.1095380              1.0000000        
S   1
  1      2.2582580              1.0000000        
S   1
  1      0.9315950              1.0000000        
S   1
  1      0.3472760              1.0000000        
P   1
  1     11.2078130              1.0000000        
P   1
  1      3.9259070              1.0000000        
P   1
  1      1.5972830              1.0000000        
P   1
  1      0.6251590              1.0000000        
P   1
  1      0.2353900              1.0000000        
D   1
  1     28.6994770              1.0000000        
D   1
  1     11.6311160              1.0000000        
D   1
  1      4.5338420              1.0000000        
D   1
  1      1.7800390              1.0000000        
F   1
  1     13.2981720              1.0000000        
F   1
  1      3.2006020              1.0000000        
F   1
  1      1.2901730              1.0000000        
G   1
  1      8.9009240              1.0000000        
G   1
  1      2.6330260              1.0000000        
H   1
  1      5.6018430              1.0000000        
H   1
  1      0.8857780              1.0000000        
I   1
  1      3.0264800              1.0000000        


name: aug-cc-pV5Z_OPTRI
description: CABS RI basis sets for F12 matched to aug-cc-pVnZ orbital basis sets
elt: Ne
data:
NEON
S   1
  1     13.9417590              1.0000000        
S   1
  1      2.8826580              1.0000000        
S   1
  1      1.0893040              1.0000000        
S   1
  1      0.4433600              1.0000000        
P   1
  1     15.6295050              1.0000000        
P   1
  1      5.7291820              1.0000000        
P   1
  1      1.9726330              1.0000000        
P   1
  1      0.7844730              1.0000000        
P   1
  1      0.2883390              1.0000000        
D   1
  1     37.6999630              1.0000000        
D   1
  1     14.7911660              1.0000000        
D   1
  1      6.0629160              1.0000000        
D   1
  1      2.5503310              1.0000000        
F   1
  1     16.9497430              1.0000000        
F   1
  1      4.2427750              1.0000000        
F   1
  1      1.6992310              1.0000000        
G   1
  1     10.9829530              1.0000000        
G   1
  1      3.3873260              1.0000000        
H   1
  1      7.5035280              1.0000000        
H   1
  1      1.0900190              1.0000000        
I   1
  1      4.0123390              1.0000000        


name: aug-cc-pV5Z_OPTRI
description: CABS RI basis sets for F12 matched to aug-cc-pVnZ orbital basis sets
elt: Al
data:
ALUMINUM
S   1
  1      9.4362200              1.0000000        
S   1
  1      2.3681520              1.0000000        
S   1
  1      0.3896590              1.0000000        
S   1
  1      0.1635570              1.0000000        
S   1
  1      0.0700030              1.0000000        
P   1
  1     11.6277380              1.0000000        
P   1
  1      6.3256140              1.0000000        
P   1
  1      1.7458820              1.0000000        
P   1
  1      0.3869810              1.0000000        
P   1
  1      0.1471000              1.0000000        
D   1
  1     12.5665190              1.0000000        
D   1
  1      5.0905760              1.0000000        
D   1
  1      1.1837280              1.0000000        
D   1
  1      0.2614730              1.0000000        
D   1
  1      0.1089840              1.0000000        
F   1
  1      2.2671450              1.0000000        
F   1
  1      1.3195770              1.0000000        
F   1
  1      0.7680510              1.0000000        
G   1
  1      0.8576060              1.0000000        
G   1
  1      0.3699550              1.0000000        
G   1
  1      0.1626320              1.0000000        
H   1
  1      0.6689100              1.0000000        
H   1
  1      0.3187460              1.0000000        
I   1
  1      0.4357790              1.0000000        


name: aug-cc-pV5Z_OPTRI
description: CABS RI basis sets for F12 matched to aug-cc-pVnZ orbital basis sets
elt: Si
data:
SILICON
S   1
  1     12.9457190              1.0000000        
S   1
  1      3.0492650              1.0000000        
S   1
  1      0.5386730              1.0000000        
S   1
  1      0.2262540              1.0000000        
S   1
  1      0.0984460              1.0000000        
P   1
  1     15.9140710              1.0000000        
P   1
  1      7.3746000              1.0000000        
P   1
  1      2.2679840              1.0000000        
P   1
  1      0.5565950              1.0000000        
P   1
  1      0.2110480              1.0000000        
D   1
  1     15.0734000              1.0000000        
D   1
  1      5.9872560              1.0000000        
D   1
  1      2.0924590              1.0000000        
D   1
  1      0.3705980              1.0000000        
D   1
  1      0.1658580              1.0000000        
F   1
  1      4.3924800              1.0000000        
F   1
  1      2.1244920              1.0000000        
F   1
  1      1.0275440              1.0000000        
G   1
  1      1.0555330              1.0000000        
G   1
  1      0.4743400              1.0000000        
G   1
  1      0.2198980              1.0000000        
H   1
  1      0.8817400              1.0000000        
H   1
  1      0.4325000              1.0000000        
I   1
  1      0.5998810              1.0000000        


name: aug-cc-pV5Z_OPTRI
description: CABS RI basis sets for F12 matched to aug-cc-pVnZ orbital basis sets
elt: P
data:
PHOSPHOROUS
S   1
  1     16.3192770              1.0000000        
S   1
  1      5.3946840              1.0000000        
S   1
  1      0.6594720              1.0000000        
S   1
  1      0.2923680              1.0000000        
S   1
  1      0.1254890              1.0000000        
P   1
  1     25.8625660              1.0000000        
P   1
  1      9.2351430              1.0000000        
P   1
  1      3.0459430              1.0000000        
P   1
  1      0.6484250              1.0000000        
P   1
  1      0.2771730              1.0000000        
D   1
  1     21.9561800              1.0000000        
D   1
  1      8.6185410              1.0000000        
D   1
  1      2.6004990              1.0000000        
D   1
  1      0.5066070              1.0000000        
D   1
  1      0.2176570              1.0000000        
F   1
  1      7.3238040              1.0000000        
F   1
  1      3.1700260              1.0000000        
F   1
  1      1.3721100              1.0000000        
G   1
  1      1.3484990              1.0000000        
G   1
  1      0.6091370              1.0000000        
G   1
  1      0.2753470              1.0000000        
H   1
  1      1.1153070              1.0000000        
H   1
  1      0.5262950              1.0000000        
I   1
  1      0.7728960              1.0000000        


name: aug-cc-pV5Z_OPTRI
description: CABS RI basis sets for F12 matched to aug-cc-pVnZ orbital basis sets
elt: S
data:
SULFUR
S   1
  1     18.1292330              1.0000000        
S   1
  1      6.6416170              1.0000000        
S   1
  1      0.8232590              1.0000000        
S   1
  1      0.3603470              1.0000000        
S   1
  1      0.1551610              1.0000000        
P   1
  1     32.8117280              1.0000000        
P   1
  1     14.8961980              1.0000000        
P   1
  1      2.8560510              1.0000000        
P   1
  1      0.7257710              1.0000000        
P   1
  1      0.3148170              1.0000000        
D   1
  1     34.2036090              1.0000000        
D   1
  1      9.7567650              1.0000000        
D   1
  1      2.4085870              1.0000000        
D   1
  1      0.6234600              1.0000000        
D   1
  1      0.2923820              1.0000000        
F   1
  1     10.2992580              1.0000000        
F   1
  1      4.0926810              1.0000000        
F   1
  1      1.6263340              1.0000000        
G   1
  1      1.6055120              1.0000000        
G   1
  1      0.6930870              1.0000000        
G   1
  1      0.3190990              1.0000000        
H   1
  1      1.3963580              1.0000000        
H   1
  1      0.6410040              1.0000000        
I   1
  1      0.9676010              1.0000000        


name: aug-cc-pV5Z_OPTRI
description: CABS RI basis sets for F12 matched to aug-cc-pVnZ orbital basis sets
elt: Cl
data:
CHLORINE
S   1
  1     29.2370080              1.0000000        
S   1
  1      7.5868510              1.0000000        
S   1
  1      1.0745440              1.0000000        
S   1
  1      0.4385850              1.0000000        
S   1
  1      0.1749340              1.0000000        
P   1
  1     40.3958920              1.0000000        
P   1
  1     12.9571910              1.0000000        
P   1
  1      2.2227770              1.0000000        
P   1
  1      0.8033450              1.0000000        
P   1
  1      0.3801240              1.0000000        
D   1
  1     42.4007700              1.0000000        
D   1
  1     19.4461940              1.0000000        
D   1
  1      4.1020580              1.0000000        
D   1
  1      0.7840030              1.0000000        
D   1
  1      0.3090150              1.0000000        
F   1
  1     13.0193100              1.0000000        
F   1
  1      5.0908200              1.0000000        
F   1
  1      1.9906160              1.0000000        
G   1
  1      1.9396610              1.0000000        
G   1
  1      0.8300020              1.0000000        
G   1
  1      0.3919080              1.0000000        
H   1
  1      1.8063050              1.0000000        
H   1
  1      0.7952380              1.0000000        
I   1
  1      1.1796890              1.0000000        


name: aug-cc-pV5Z_OPTRI
description: CABS RI basis sets for F12 matched to aug-cc-pVnZ orbital basis sets
elt: Ar
data:
ARGON
S   1
  1     35.8877110              1.0000000        
S   1
  1      8.4475340              1.0000000        
S   1
  1      1.1729520              1.0000000        
S   1
  1      0.5214940              1.0000000        
S   1
  1      0.2231650              1.0000000        
P   1
  1     41.2976830              1.0000000        
P   1
  1     14.3713550              1.0000000        
P   1
  1      2.7155460              1.0000000        
P   1
  1      0.9801500              1.0000000        
P   1
  1      0.4117880              1.0000000        
D   1
  1     42.2079550              1.0000000        
D   1
  1     21.0321060              1.0000000        
D   1
  1      6.2390570              1.0000000        
D   1
  1      0.9453540              1.0000000        
D   1
  1      0.4045700              1.0000000        
F   1
  1     15.5071910              1.0000000        
F   1
  1      6.1821240              1.0000000        
F   1
  1      2.4645770              1.0000000        
G   1
  1      2.3213630              1.0000000        
G   1
  1      0.9903830              1.0000000        
G   1
  1      0.4702360              1.0000000        
H   1
  1      2.2196220              1.0000000        
H   1
  1      0.9663970              1.0000000        
I   1
  1      1.4711420              1.0000000        


name: aug-cc-pV6Z Diffuse
description: 1D Diffuse Functions
elt: H
data:
HYDROGEN
S   1
  1      0.0189000              1.0000000        
P   1
  1      0.0670000              1.0000000        
D   1
  1      0.1260000              1.0000000        
F   1
  1      0.2450000              1.0000000        
G   1
  1      0.4070000              1.0000000        
H   1
  1      0.6820000              1.0000000        


name: aug-cc-pV6Z Diffuse
description: 1D Diffuse Functions
elt: He
data:
HELIUM
S   1
  1      0.0447300              1.0000000        
P   1
  1      0.1280000              1.0000000        
D   1
  1      0.2410000              1.0000000        
F   1
  1      0.4070000              1.0000000        
G   1
  1      0.6860000              1.0000000        
H   1
  1      1.0160000              1.0000000        


name: aug-cc-pV6Z Diffuse
description: 1D Diffuse Functions
elt: B
data:
BORON
S   1
  1      0.0230000              1.0000000        
P   1
  1      0.0136500              1.0000000        
D   1
  1      0.0392000              1.0000000        
F   1
  1      0.0733000              1.0000000        
G   1
  1      0.1620000              1.0000000        
H   1
  1      0.2880000              1.0000000        
I   1
  1      0.5000000              1.0000000        


name: aug-cc-pV6Z Diffuse
description: 1D Diffuse Functions
elt: C
data:
CARBON
S   1
  1      0.0354000              1.0000000        
P   1
  1      0.0237600              1.0000000        
D   1
  1      0.0636000              1.0000000        
F   1
  1      0.1180000              1.0000000        
G   1
  1      0.2540000              1.0000000        
H   1
  1      0.4510000              1.0000000        
I   1
  1      0.7760000              1.0000000        


name: aug-cc-pV6Z Diffuse
description: 1D Diffuse Functions
elt: N
data:
NITROGEN
S   1
  1      0.0471400              1.0000000        
P   1
  1      0.0315000              1.0000000        
D   1
  1      0.0874000              1.0000000        
F   1
  1      0.1510000              1.0000000        
G   1
  1      0.3260000              1.0000000        
H   1
  1      0.5870000              1.0000000        
I   1
  1      1.0410000              1.0000000        


name: aug-cc-pV6Z Diffuse
description: 1D Diffuse Functions
elt: O
data:
OXYGEN
S   1
  1      0.0593500              1.0000000        
P   1
  1      0.0338000              1.0000000        
D   1
  1      0.1150000              1.0000000        
F   1
  1      0.1950000              1.0000000        
G   1
  1      0.4060000              1.0000000        
H   1
  1      0.7480000              1.0000000        
I   1
  1      1.3450000              1.0000000        


name: aug-cc-pV6Z Diffuse
description: 1D Diffuse Functions
elt: F
data:
FLUORINE
S   1
  1      0.0731500              1.0000000        
P   1
  1      0.0476000              1.0000000        
D   1
  1      0.1510000              1.0000000        
F   1
  1      0.2720000              1.0000000        
G   1
  1      0.5200000              1.0000000        
H   1
  1      0.9850000              1.0000000        
I   1
  1      1.7390000              1.0000000        


name: aug-cc-pV6Z Diffuse
description: 1D Diffuse Functions
elt: Ne
data:
NEON
S   1
  1      0.0869000              1.0000000        
P   1
  1      0.0566000              1.0000000        
D   1
  1      0.1870000              1.0000000        
F   1
  1      0.3492000              1.0000000        
G   1
  1      0.6345000              1.0000000        
H   1
  1      1.2093000              1.0000000        
I   1
  1      2.1215000              1.0000000        


name: aug-cc-pV6Z Diffuse
description: 1D Diffuse Functions
elt: Al
data:
ALUMINUM
S   1
  1      0.0173700              1.0000000        
P   1
  1      0.0102100              1.0000000        
D   1
  1      0.0266600              1.0000000        
F   1
  1      0.0462500              1.0000000        
G   1
  1      0.0854500              1.0000000        
H   1
  1      0.1655000              1.0000000        
I   1
  1      0.2990000              1.0000000        


name: aug-cc-pV6Z Diffuse
description: 1D Diffuse Functions
elt: Si
data:
SILICON
S   1
  1      0.0253900              1.0000000        
P   1
  1      0.0169400              1.0000000        
D   1
  1      0.0413900              1.0000000        
F   1
  1      0.0688400              1.0000000        
G   1
  1      0.1164000              1.0000000        
H   1
  1      0.2351000              1.0000000        
I   1
  1      0.4271000              1.0000000        


name: aug-cc-pV6Z Diffuse
description: 1D Diffuse Functions
elt: P
data:
PHOSPHOROUS
S   1
  1      0.0322800              1.0000000        
P   1
  1      0.0219700              1.0000000        
D   1
  1      0.0549200              1.0000000        
F   1
  1      0.0871000              1.0000000        
G   1
  1      0.1470000              1.0000000        
H   1
  1      0.2874000              1.0000000        
I   1
  1      0.5151000              1.0000000        


name: aug-cc-pV6Z Diffuse
description: 1D Diffuse Functions
elt: S
data:
SULFUR
S   1
  1      0.0389300              1.0000000        
P   1
  1      0.0264800              1.0000000        
D   1
  1      0.0698600              1.0000000        
F   1
  1      0.1100000              1.0000000        
G   1
  1      0.1799000              1.0000000        
H   1
  1      0.3465000              1.0000000        
I   1
  1      0.6222000              1.0000000        


name: aug-cc-pV6Z Diffuse
description: 1D Diffuse Functions
elt: Cl
data:
CHLORINE
S   1
  1      0.0462500              1.0000000        
P   1
  1      0.0316300              1.0000000        
D   1
  1      0.0888500              1.0000000        
F   1
  1      0.1465000              1.0000000        
G   1
  1      0.2177000              1.0000000        
H   1
  1      0.4365000              1.0000000        
I   1
  1      0.8074000              1.0000000        


name: aug-cc-pV6Z Diffuse
description: 1D Diffuse Functions
elt: Ar
data:
ARGON
S   1
  1      0.0535700              1.0000000        
P   1
  1      0.0367800              1.0000000        
D   1
  1      0.1078000              1.0000000        
F   1
  1      0.1830000              1.0000000        
G   1
  1      0.2555000              1.0000000        
H   1
  1      0.5265000              1.0000000        
I   1
  1      0.9926000              1.0000000        


name: aug-cc-pV6Z-RI diffuse
description: N/A
elt: H
data:
HYDROGEN
S   1
  1      0.0691785              1.0000000        
P   1
  1      0.1058250              1.0000000        
D   1
  1      0.2063040              1.0000000        
F   1
  1      0.3591300              1.0000000        
G   1
  1      0.6045860              1.0000000        
H   1
  1      0.8453360              1.0000000        
I   1
  1      1.1658300              1.0000000        


name: aug-cc-pV6Z-RI diffuse
description: N/A
elt: He
data:
HELIUM
S   1
  1      0.1482240              1.0000000        
P   1
  1      0.2962900              1.0000000        
D   1
  1      0.4748920              1.0000000        
F   1
  1      0.6911960              1.0000000        
G   1
  1      1.0339200              1.0000000        
H   1
  1      1.4300000              1.0000000        
I   1
  1      2.5939900              1.0000000        


name: aug-cc-pV6Z-RI diffuse
description: N/A
elt: B
data:
BORON
S   1
  1      0.0508502              1.0000000        
P   1
  1      0.0669553              1.0000000        
D   1
  1      0.0555561              1.0000000        
F   1
  1      0.0720837              1.0000000        
G   1
  1      0.1167370              1.0000000        
H   1
  1      0.2425550              1.0000000        
I   1
  1      0.3460630              1.0000000        
K   1
  1      0.6415240              1.0000000        


name: aug-cc-pV6Z-RI diffuse
description: N/A
elt: C
data:
CARBON
S   1
  1      0.0703308              1.0000000        
P   1
  1      0.0812994              1.0000000        
D   1
  1      0.0736652              1.0000000        
F   1
  1      0.1221130              1.0000000        
G   1
  1      0.1932090              1.0000000        
H   1
  1      0.3831450              1.0000000        
I   1
  1      0.6394850              1.0000000        
K   1
  1      0.9894270              1.0000000        


name: aug-cc-pV6Z-RI diffuse
description: N/A
elt: N
data:
NITROGEN
S   1
  1      0.0923591              1.0000000        
P   1
  1      0.1065830              1.0000000        
D   1
  1      0.1017510              1.0000000        
F   1
  1      0.2096700              1.0000000        
G   1
  1      0.2901300              1.0000000        
H   1
  1      0.5361580              1.0000000        
I   1
  1      0.8457630              1.0000000        
K   1
  1      1.4021900              1.0000000        


name: aug-cc-pV6Z-RI diffuse
description: N/A
elt: O
data:
OXYGEN
S   1
  1      0.1098320              1.0000000        
P   1
  1      0.1376100              1.0000000        
D   1
  1      0.1004080              1.0000000        
F   1
  1      0.2106300              1.0000000        
G   1
  1      0.3181510              1.0000000        
H   1
  1      0.6230540              1.0000000        
I   1
  1      1.0396500              1.0000000        
K   1
  1      1.7699500              1.0000000        


name: aug-cc-pV6Z-RI diffuse
description: N/A
elt: F
data:
FLUORINE
S   1
  1      0.1290810              1.0000000        
P   1
  1      0.1781470              1.0000000        
D   1
  1      0.1234140              1.0000000        
F   1
  1      0.2804310              1.0000000        
G   1
  1      0.4549100              1.0000000        
H   1
  1      0.8066780              1.0000000        
I   1
  1      1.4015700              1.0000000        
K   1
  1      2.3024400              1.0000000        


name: aug-cc-pV6Z-RI diffuse
description: N/A
elt: Ne
data:
NEON
S   1
  1      0.1827160              1.0000000        
P   1
  1      0.2116190              1.0000000        
D   1
  1      0.2531250              1.0000000        
F   1
  1      0.4151270              1.0000000        
G   1
  1      0.6365720              1.0000000        
H   1
  1      1.0580100              1.0000000        
I   1
  1      1.8008700              1.0000000        
K   1
  1      2.9499400              1.0000000        


name: aug-cc-pV6Z-RI diffuse
description: N/A
elt: Al
data:
ALUMINUM
S   1
  1      0.0270484              1.0000000        
P   1
  1      0.0355123              1.0000000        
D   1
  1      0.0432914              1.0000000        
F   1
  1      0.0542597              1.0000000        
G   1
  1      0.0820111              1.0000000        
H   1
  1      0.1504990              1.0000000        
I   1
  1      0.2241180              1.0000000        
K   1
  1      0.3803370              1.0000000        


name: aug-cc-pV6Z-RI diffuse
description: N/A
elt: Si
data:
SILICON
S   1
  1      0.0372869              1.0000000        
P   1
  1      0.0445953              1.0000000        
D   1
  1      0.0521037              1.0000000        
F   1
  1      0.0768723              1.0000000        
G   1
  1      0.1129940              1.0000000        
H   1
  1      0.1901920              1.0000000        
I   1
  1      0.3247860              1.0000000        
K   1
  1      0.5696670              1.0000000        


name: aug-cc-pV6Z-RI diffuse
description: N/A
elt: P
data:
PHOSPHOROUS
S   1
  1      0.0509333              1.0000000        
P   1
  1      0.0586717              1.0000000        
D   1
  1      0.0669157              1.0000000        
F   1
  1      0.1078060              1.0000000        
G   1
  1      0.1403950              1.0000000        
H   1
  1      0.2394050              1.0000000        
I   1
  1      0.4003810              1.0000000        
K   1
  1      0.6876520              1.0000000        


name: aug-cc-pV6Z-RI diffuse
description: N/A
elt: S
data:
SULFUR
S   1
  1      0.0585590              1.0000000        
P   1
  1      0.0903698              1.0000000        
D   1
  1      0.0781470              1.0000000        
F   1
  1      0.1335080              1.0000000        
G   1
  1      0.1761910              1.0000000        
H   1
  1      0.2833630              1.0000000        
I   1
  1      0.4902150              1.0000000        
K   1
  1      0.8419140              1.0000000        


name: aug-cc-pV6Z-RI diffuse
description: N/A
elt: Cl
data:
CHLORINE
S   1
  1      0.0713960              1.0000000        
P   1
  1      0.1049990              1.0000000        
D   1
  1      0.0847585              1.0000000        
F   1
  1      0.1755440              1.0000000        
G   1
  1      0.2334050              1.0000000        
H   1
  1      0.3577880              1.0000000        
I   1
  1      0.6141430              1.0000000        
K   1
  1      1.0980600              1.0000000        


name: aug-cc-pV6Z-RI diffuse
description: N/A
elt: Ar
data:
ARGON
S   1
  1      0.0866461              1.0000000        
P   1
  1      0.1403120              1.0000000        
D   1
  1      0.1086520              1.0000000        
F   1
  1      0.2037820              1.0000000        
G   1
  1      0.2608280              1.0000000        
H   1
  1      0.4456380              1.0000000        
I   1
  1      0.7927850              1.0000000        
K   1
  1      1.3899300              1.0000000        


name: aug-cc-pV6Z
description: V6Z5P Valence Sextuple Zeta + Polarization + Diffuse
elt: H
data:
HYDROGEN
S   5
  1   1776.7755600              0.0000440        
  2    254.0177120              0.0003720        
  3     54.6980390              0.0020940        
  4     15.0183440              0.0088630        
  5      4.91507800             0.0305400        
S   1
  1      1.79492400             1.0000000        
S   1
  1      0.71071600             1.0000000        
S   1
  1      0.30480200             1.0000000        
S   1
  1      0.13804600             1.0000000        
S   1
  1      0.06215700             1.0000000        
S   1
  1      0.0189000              1.0000000        
P   1
  1      8.6490000              1.0000000        
P   1
  1      3.4300000              1.0000000        
P   1
  1      1.3600000              1.0000000        
P   1
  1      0.5390000              1.0000000        
P   1
  1      0.2140000              1.0000000        
P   1
  1      0.0670000              1.0000000        
D   1
  1      4.4530000              1.0000000        
D   1
  1      1.9580000              1.0000000        
D   1
  1      0.8610000              1.0000000        
D   1
  1      0.3780000              1.0000000        
D   1
  1      0.1260000              1.0000000        
F   1
  1      4.1000000              1.0000000        
F   1
  1      1.7800000              1.0000000        
F   1
  1      0.7730000              1.0000000        
F   1
  1      0.2450000              1.0000000        
G   1
  1      3.1990000              1.0000000        
G   1
  1      1.3260000              1.0000000        
G   1
  1      0.4070000              1.0000000        
H   1
  1      2.6530000              1.0000000        
H   1
  1      0.6820000              1.0000000        


name: aug-cc-pV6Z
description: V6Z5P Valence Sextuple Zeta + Polarization + Diffuse
elt: He
data:
HELIUM
S   5
  1   4785.0000000              0.0000006        
  2    717.0000000              0.0000047        
  3    163.2000000              0.0000244        
  4     46.2600000              0.0001012        
  5     15.1000000              0.0003486        
S   1
  1      5.4370000              1.0000000        
S   1
  1      2.0880000              1.0000000        
S   1
  1      0.8297000              1.0000000        
S   1
  1      0.3366000              1.0000000        
S   1
  1      0.1369000              1.0000000        
S   1
  1      0.0447300              1.0000000        
P   1
  1      0.3870000              1.0000000        
P   1
  1      0.9840000              1.0000000        
P   1
  1      2.4980000              1.0000000        
P   1
  1      6.3420000              1.0000000        
P   1
  1     16.1040000              1.0000000        
P   1
  1      0.1280000              1.0000000        
D   1
  1      0.7470000              1.0000000        
D   1
  1      1.9100000              1.0000000        
D   1
  1      4.8860000              1.0000000        
D   1
  1     12.4980000              1.0000000        
D   1
  1      0.2410000              1.0000000        
F   1
  1      1.2920000              1.0000000        
F   1
  1      3.4620000              1.0000000        
F   1
  1      9.2760000              1.0000000        
F   1
  1      0.4070000              1.0000000        
G   1
  1      2.2360000              1.0000000        
G   1
  1      6.5860000              1.0000000        
G   1
  1      0.6860000              1.0000000        
H   1
  1      4.1590000              1.0000000        
H   1
  1      1.0160000              1.0000000        


name: aug-cc-pV6Z
description: V6Z5P Valence Sextuple Zeta + Polarization + Diffuse
elt: B
data:
BORON
S   11
  1 210400.0000000              0.00000583       
  2  31500.0000000              0.00004532       
  3   7169.0000000              0.00023838       
  4   2030.0000000              0.00100570       
  5    662.5000000              0.00364496       
  6    239.2000000              0.01173628       
  7     93.2600000              0.03380702       
  8     38.6400000              0.08556593       
  9     16.7800000              0.18260322       
 10      7.5410000              0.30583760       
 11      3.4820000              0.34080347       
S   11
  1 210400.0000000             -0.00000118       
  2  31500.0000000             -0.00000915       
  3   7169.0000000             -0.00004819       
  4   2030.0000000             -0.00020306       
  5    662.5000000             -0.00073917       
  6    239.2000000             -0.00238603       
  7     93.2600000             -0.00698654       
  8     38.6400000             -0.01811594       
  9     16.7800000             -0.04123129       
 10      7.5410000             -0.07781353       
 11      3.4820000             -0.12123181       
S   1
  1      1.6180000              1.0000000        
S   1
  1      0.6270000              1.0000000        
S   1
  1      0.2934000              1.0000000        
S   1
  1      0.1310000              1.0000000        
S   1
  1      0.0581500              1.0000000        
S   1
  1      0.0230000              1.0000000        
P   5
  1    192.5000000              0.00013490       
  2     45.6400000              0.00114741       
  3     14.7500000              0.00584793       
  4      5.5030000              0.02117091       
  5      2.2220000              0.06266872       
P   1
  1      0.9590000              1.0000000        
P   1
  1      0.4314000              1.0000000        
P   1
  1      0.1969000              1.0000000        
P   1
  1      0.0903300              1.0000000        
P   1
  1      0.0406600              1.0000000        
P   1
  1      0.0136500              1.0000000        
D   1
  1      2.8860000              1.0000000        
D   1
  1      1.2670000              1.0000000        
D   1
  1      0.5560000              1.0000000        
D   1
  1      0.2440000              1.0000000        
D   1
  1      0.1070000              1.0000000        
D   1
  1      0.0392000              1.0000000        
F   1
  1      1.6510000              1.0000000        
F   1
  1      0.8002000              1.0000000        
F   1
  1      0.3878000              1.0000000        
F   1
  1      0.1880000              1.0000000        
F   1
  1      0.0733000              1.0000000        
G   1
  1      1.6469000              1.0000000        
G   1
  1      0.7889000              1.0000000        
G   1
  1      0.3779000              1.0000000        
G   1
  1      0.1620000              1.0000000        
H   1
  1      1.3120000              1.0000000        
H   1
  1      0.5806000              1.0000000        
H   1
  1      0.2880000              1.0000000        
I   1
  1      0.9847000              1.0000000        
I   1
  1      0.5000000              1.0000000        


name: aug-cc-pV6Z
description: V6Z5P Valence Sextuple Zeta + Polarization + Diffuse
elt: C
data:
CARBON
S   11
  1 312100.0000000              0.00000567       
  2  46740.0000000              0.00004410       
  3  10640.0000000              0.00023190       
  4   3013.0000000              0.00097897       
  5    982.8000000              0.00355163       
  6    354.8000000              0.01144061       
  7    138.4000000              0.03299855       
  8     57.3500000              0.08405347       
  9     24.9200000              0.18067613       
 10     11.2300000              0.30491140       
 11      5.2010000              0.34141570       
S   11
  1 312100.0000000             -0.00000121       
  2  46740.0000000             -0.00000939       
  3  10640.0000000             -0.00004947       
  4   3013.0000000             -0.00020857       
  5    982.8000000             -0.00076015       
  6    354.8000000             -0.00245469       
  7    138.4000000             -0.00720153       
  8     57.3500000             -0.01880742       
  9     24.9200000             -0.04325001       
 10     11.2300000             -0.08259733       
 11      5.2010000             -0.12857592       
S   1
  1      2.4260000              1.0000000        
S   1
  1      0.9673000              1.0000000        
S   1
  1      0.4456000              1.0000000        
S   1
  1      0.1971000              1.0000000        
S   1
  1      0.0863500              1.0000000        
S   1
  1      0.0354000              1.0000000        
P   5
  1    295.2000000              0.00014249       
  2     69.9800000              0.00122010       
  3     22.6400000              0.00633696       
  4      8.4850000              0.02351875       
  5      3.4590000              0.06990447       
P   1
  1      1.5040000              1.0000000        
P   1
  1      0.6783000              1.0000000        
P   1
  1      0.3087000              1.0000000        
P   1
  1      0.1400000              1.0000000        
P   1
  1      0.0617800              1.0000000        
P   1
  1      0.0237600              1.0000000        
D   1
  1      4.5420000              1.0000000        
D   1
  1      1.9790000              1.0000000        
D   1
  1      0.8621000              1.0000000        
D   1
  1      0.3756000              1.0000000        
D   1
  1      0.1636000              1.0000000        
D   1
  1      0.0636000              1.0000000        
F   1
  1      2.6310000              1.0000000        
F   1
  1      1.2550000              1.0000000        
F   1
  1      0.5988000              1.0000000        
F   1
  1      0.2857000              1.0000000        
F   1
  1      0.1180000              1.0000000        
G   1
  1      2.6520000              1.0000000        
G   1
  1      1.2040000              1.0000000        
G   1
  1      0.5470000              1.0000000        
G   1
  1      0.2540000              1.0000000        
H   1
  1      2.0300000              1.0000000        
H   1
  1      0.8511000              1.0000000        
H   1
  1      0.4510000              1.0000000        
I   1
  1      1.4910000              1.0000000        
I   1
  1      0.7760000              1.0000000        


name: aug-cc-pV6Z
description: V6Z5P Valence Sextuple Zeta + Polarization + Diffuse
elt: N
data:
NITROGEN
S   11
  1 432300.0000000              0.00000559       
  2  64700.0000000              0.00004351       
  3  14720.0000000              0.00022893       
  4   4170.0000000              0.00096502       
  5   1361.0000000              0.00350219       
  6    491.2000000              0.01129212       
  7    191.6000000              0.03261283       
  8     79.4100000              0.08329727       
  9     34.5300000              0.17998566       
 10     15.5800000              0.30500351       
 11      7.2320000              0.34115932       
S   11
  1 432300.0000000             -0.00000123       
  2  64700.0000000             -0.00000958       
  3  14720.0000000             -0.00005051       
  4   4170.0000000             -0.00021264       
  5   1361.0000000             -0.00077534       
  6    491.2000000             -0.00250624       
  7    191.6000000             -0.00736529       
  8     79.4100000             -0.01930167       
  9     34.5300000             -0.04471738       
 10     15.5800000             -0.08606647       
 11      7.2320000             -0.13329627       
S   1
  1      3.3820000              1.0000000        
S   1
  1      1.3690000              1.0000000        
S   1
  1      0.6248000              1.0000000        
S   1
  1      0.2747000              1.0000000        
S   1
  1      0.1192000              1.0000000        
S   1
  1      0.0471400              1.0000000        
P   5
  1    415.9000000              0.00014841       
  2     98.6100000              0.00127634       
  3     31.9200000              0.00670242       
  4     12.0000000              0.02526170       
  5      4.9190000              0.07518943       
P   1
  1      2.1480000              1.0000000        
P   1
  1      0.9696000              1.0000000        
P   1
  1      0.4399000              1.0000000        
P   1
  1      0.1978000              1.0000000        
P   1
  1      0.0860300              1.0000000        
P   1
  1      0.0315000              1.0000000        
D   1
  1      6.7170000              1.0000000        
D   1
  1      2.8960000              1.0000000        
D   1
  1      1.2490000              1.0000000        
D   1
  1      0.5380000              1.0000000        
D   1
  1      0.2320000              1.0000000        
D   1
  1      0.0874000              1.0000000        
F   1
  1      3.8290000              1.0000000        
F   1
  1      1.7950000              1.0000000        
F   1
  1      0.8410000              1.0000000        
F   1
  1      0.3940000              1.0000000        
F   1
  1      0.1510000              1.0000000        
G   1
  1      3.8560000              1.0000000        
G   1
  1      1.7020000              1.0000000        
G   1
  1      0.7510000              1.0000000        
G   1
  1      0.3260000              1.0000000        
H   1
  1      2.8750000              1.0000000        
H   1
  1      1.1700000              1.0000000        
H   1
  1      0.5870000              1.0000000        
I   1
  1      2.0990000              1.0000000        
I   1
  1      1.0410000              1.0000000        


name: aug-cc-pV6Z
description: V6Z5P Valence Sextuple Zeta + Polarization + Diffuse
elt: O
data:
OXYGEN
S   11
  1 570800.0000000              0.00000555       
  2  85480.0000000              0.00004311       
  3  19460.0000000              0.00022667       
  4   5512.0000000              0.00095637       
  5   1798.0000000              0.00347320       
  6    648.9000000              0.01119778       
  7    253.1000000              0.03238766       
  8    104.9000000              0.08285977       
  9     45.6500000              0.17958381       
 10     20.6200000              0.30522110       
 11      9.5870000              0.34089349       
S   11
  1 570800.0000000             -0.00000126       
  2  85480.0000000             -0.00000977       
  3  19460.0000000             -0.00005148       
  4   5512.0000000             -0.00021696       
  5   1798.0000000             -0.00079162       
  6    648.9000000             -0.00255900       
  7    253.1000000             -0.00753313       
  8    104.9000000             -0.01978897       
  9     45.6500000             -0.04606288       
 10     20.6200000             -0.08919560       
 11      9.5870000             -0.13754216       
S   1
  1      4.4930000              1.0000000        
S   1
  1      1.8370000              1.0000000        
S   1
  1      0.8349000              1.0000000        
S   1
  1      0.3658000              1.0000000        
S   1
  1      0.1570000              1.0000000        
S   1
  1      0.0593500              1.0000000        
P   5
  1    525.6000000              0.00016664       
  2    124.6000000              0.00143336       
  3     40.3400000              0.00754762       
  4     15.1800000              0.02859456       
  5      6.2450000              0.08438858       
P   1
  1      2.7320000              1.0000000        
P   1
  1      1.2270000              1.0000000        
P   1
  1      0.5492000              1.0000000        
P   1
  1      0.2418000              1.0000000        
P   1
  1      0.1025000              1.0000000        
P   1
  1      0.0338000              1.0000000        
D   1
  1      8.2530000              1.0000000        
D   1
  1      3.5970000              1.0000000        
D   1
  1      1.5680000              1.0000000        
D   1
  1      0.6840000              1.0000000        
D   1
  1      0.2980000              1.0000000        
D   1
  1      0.1150000              1.0000000        
F   1
  1      5.4300000              1.0000000        
F   1
  1      2.4160000              1.0000000        
F   1
  1      1.0750000              1.0000000        
F   1
  1      0.4780000              1.0000000        
F   1
  1      0.1950000              1.0000000        
G   1
  1      5.2110000              1.0000000        
G   1
  1      2.1900000              1.0000000        
G   1
  1      0.9200000              1.0000000        
G   1
  1      0.4060000              1.0000000        
H   1
  1      3.8720000              1.0000000        
H   1
  1      1.5050000              1.0000000        
H   1
  1      0.7480000              1.0000000        
I   1
  1      2.7730000              1.0000000        
I   1
  1      1.3450000              1.0000000        


name: aug-cc-pV6Z
description: V6Z5P Valence Sextuple Zeta + Polarization + Diffuse
elt: F
data:
FLUORINE
S   11
  1 723500.0000000              0.00000556       
  2 108400.0000000              0.00004318       
  3  24680.0000000              0.00022700       
  4   6990.0000000              0.00095803       
  5   2282.0000000              0.00347015       
  6    824.6000000              0.01118526       
  7    321.8000000              0.03232880       
  8    133.5000000              0.08279545       
  9     58.1100000              0.17988024       
 10     26.2800000              0.30557831       
 11     12.2400000              0.34026839       
S   11
  1 723500.0000000             -0.00000129       
  2 108400.0000000             -0.00000999       
  3  24680.0000000             -0.00005260       
  4   6990.0000000             -0.00022172       
  5   2282.0000000             -0.00080692       
  6    824.6000000             -0.00260817       
  7    321.8000000             -0.00767402       
  8    133.5000000             -0.02019353       
  9     58.1100000             -0.04718752       
 10     26.2800000             -0.09158009       
 11     12.2400000             -0.14048558       
S   1
  1      5.7470000              1.0000000        
S   1
  1      2.3650000              1.0000000        
S   1
  1      1.0710000              1.0000000        
S   1
  1      0.4681000              1.0000000        
S   1
  1      0.1994000              1.0000000        
S   1
  1      0.0731500              1.0000000        
P   5
  1    660.0000000              0.00017721       
  2    156.4000000              0.00152691       
  3     50.6400000              0.00807207       
  4     19.0800000              0.03074021       
  5      7.8720000              0.09011914       
P   1
  1      3.4490000              1.0000000        
P   1
  1      1.5450000              1.0000000        
P   1
  1      0.6864000              1.0000000        
P   1
  1      0.2986000              1.0000000        
P   1
  1      0.1245000              1.0000000        
P   1
  1      0.0476000              1.0000000        
D   1
  1     10.5730000              1.0000000        
D   1
  1      4.6130000              1.0000000        
D   1
  1      2.0130000              1.0000000        
D   1
  1      0.8780000              1.0000000        
D   1
  1      0.3830000              1.0000000        
D   1
  1      0.1510000              1.0000000        
F   1
  1      7.5630000              1.0000000        
F   1
  1      3.3300000              1.0000000        
F   1
  1      1.4660000              1.0000000        
F   1
  1      0.6450000              1.0000000        
F   1
  1      0.2720000              1.0000000        
G   1
  1      6.7350000              1.0000000        
G   1
  1      2.7830000              1.0000000        
G   1
  1      1.1500000              1.0000000        
G   1
  1      0.5200000              1.0000000        
H   1
  1      5.0880000              1.0000000        
H   1
  1      1.9370000              1.0000000        
H   1
  1      0.9850000              1.0000000        
I   1
  1      3.5810000              1.0000000        
I   1
  1      1.7390000              1.0000000        


name: aug-cc-pV6Z
description: V6Z5P Valence Sextuple Zeta + Polarization + Diffuse
elt: Ne
data:
NEON
S   11
  1 902400.0000000              0.00000551       
  2 135100.0000000              0.00004282       
  3  30750.0000000              0.00022514       
  4   8710.0000000              0.00095016       
  5   2842.0000000              0.00344719       
  6   1026.0000000              0.01112545       
  7    400.1000000              0.03220568       
  8    165.9000000              0.08259891       
  9     72.2100000              0.17990564       
 10     32.6600000              0.30605208       
 11     15.2200000              0.34012559       
S   11
  1 902400.0000000             -0.00000129       
  2 135100.0000000             -0.00001005       
  3  30750.0000000             -0.00005293       
  4   8710.0000000             -0.00022312       
  5   2842.0000000             -0.00081338       
  6   1026.0000000             -0.00263230       
  7    400.1000000             -0.00775910       
  8    165.9000000             -0.02045277       
  9     72.2100000             -0.04797505       
 10     32.6600000             -0.09340086       
 11     15.2200000             -0.14277215       
S   1
  1      7.1490000              1.0000000        
S   1
  1      2.9570000              1.0000000        
S   1
  1      1.3350000              1.0000000        
S   1
  1      0.5816000              1.0000000        
S   1
  1      0.2463000              1.0000000        
S   1
  1      0.0869000              1.0000000        
P   5
  1    815.6000000              0.00018376       
  2    193.3000000              0.00158509       
  3     62.6000000              0.00841464       
  4     23.6100000              0.03220033       
  5      9.7620000              0.09396390       
P   1
  1      4.2810000              1.0000000        
P   1
  1      1.9150000              1.0000000        
P   1
  1      0.8476000              1.0000000        
P   1
  1      0.3660000              1.0000000        
P   1
  1      0.1510000              1.0000000        
P   1
  1      0.0566000              1.0000000        
D   1
  1     13.3170000              1.0000000        
D   1
  1      5.8030000              1.0000000        
D   1
  1      2.5290000              1.0000000        
D   1
  1      1.1020000              1.0000000        
D   1
  1      0.4800000              1.0000000        
D   1
  1      0.1870000              1.0000000        
F   1
  1     10.3560000              1.0000000        
F   1
  1      4.5380000              1.0000000        
F   1
  1      1.9890000              1.0000000        
F   1
  1      0.8710000              1.0000000        
F   1
  1      0.3492000              1.0000000        
G   1
  1      8.3450000              1.0000000        
G   1
  1      3.4170000              1.0000000        
G   1
  1      1.3990000              1.0000000        
G   1
  1      0.6345000              1.0000000        
H   1
  1      6.5190000              1.0000000        
H   1
  1      2.4470000              1.0000000        
H   1
  1      1.2093000              1.0000000        
I   1
  1      4.4890000              1.0000000        
I   1
  1      2.1215000              1.0000000        


name: aug-cc-pV6Z
description: V6Z5P Valence Sextuple Zeta + Polarization + Diffuse
elt: Al
data:
ALUMINUM
S   16
  1 3652000.0000000             0.0000019        
  2 546800.0000000              0.0000145        
  3 124500.0000000              0.0000762        
  4  35440.0000000              0.0003158        
  5  11840.0000000              0.0010974        
  6   4434.0000000              0.0033697        
  7   1812.0000000              0.0093222        
  8    791.5000000              0.0237992        
  9    361.0000000              0.0568191        
 10    169.5000000              0.1224680        
 11     81.6800000              0.2238970        
 12     40.2800000              0.3134460        
 13     20.2500000              0.2749750        
 14     10.2300000              0.1105640        
 15      4.8020000              0.0119215        
 16      2.3390000              0.0006528        
S   16
  1 3652000.0000000            -0.0000005        
  2 546800.0000000             -0.0000038        
  3 124500.0000000             -0.0000198        
  4  35440.0000000             -0.0000821        
  5  11840.0000000             -0.0002858        
  6   4434.0000000             -0.0008785        
  7   1812.0000000             -0.0024482        
  8    791.5000000             -0.0063100        
  9    361.0000000             -0.0154854        
 10    169.5000000             -0.0349589        
 11     81.6800000             -0.0707729        
 12     40.2800000             -0.1194230        
 13     20.2500000             -0.1488420        
 14     10.2300000             -0.0590465        
 15      4.8020000              0.2166930        
 16      2.3390000              0.4765570        
S   16
  1 3652000.0000000             0.0000001        
  2 546800.0000000              0.0000009        
  3 124500.0000000              0.0000046        
  4  35440.0000000              0.0000190        
  5  11840.0000000              0.0000659        
  6   4434.0000000              0.0002031        
  7   1812.0000000              0.0005647        
  8    791.5000000              0.0014620        
  9    361.0000000              0.0035794        
 10    169.5000000              0.0081516        
 11     81.6800000              0.0165276        
 12     40.2800000              0.0285467        
 13     20.2500000              0.0361484        
 14     10.2300000              0.0153804        
 15      4.8020000             -0.0612141        
 16      2.3390000             -0.1512630        
S   1
  1      1.1630000              1.0000000        
S   1
  1      0.5882000              1.0000000        
S   1
  1      0.2311000              1.0000000        
S   1
  1      0.1027000              1.0000000        
S   1
  1      0.0452100              1.0000000        
S   1
  1      0.0173700              1.0000000        
P   9
  1   2884.0000000              0.0000638        
  2    683.2000000              0.0005631        
  3    222.0000000              0.0031691        
  4     84.8200000              0.0132401        
  5     35.8100000              0.0433403        
  6     16.2200000              0.1119500        
  7      7.7020000              0.2177960        
  8      3.7410000              0.3116750        
  9      1.8310000              0.3167220        
P   9
  1   2884.0000000             -0.0000080        
  2    683.2000000             -0.0000651        
  3    222.0000000             -0.0003999        
  4     84.8200000             -0.0015369        
  5     35.8100000             -0.0055644        
  6     16.2200000             -0.0131106        
  7      7.7020000             -0.0297200        
  8      3.7410000             -0.0347195        
  9      1.8310000             -0.0551621        
P   1
  1      0.8878000              1.0000000        
P   1
  1      0.3989000              1.0000000        
P   1
  1      0.1718000              1.0000000        
P   1
  1      0.0729800              1.0000000        
P   1
  1      0.0306900              1.0000000        
P   1
  1      0.0102100              1.0000000        
D   1
  1      2.2143000              1.0000000        
D   1
  1      0.9449000              1.0000000        
D   1
  1      0.4032000              1.0000000        
D   1
  1      0.1721000              1.0000000        
D   1
  1      0.0734300              1.0000000        
D   1
  1      0.0266600              1.0000000        
F   1
  1      0.8756000              1.0000000        
F   1
  1      0.4472000              1.0000000        
F   1
  1      0.2284000              1.0000000        
F   1
  1      0.1167000              1.0000000        
F   1
  1      0.0462500              1.0000000        
G   1
  1      0.6952000              1.0000000        
G   1
  1      0.3771000              1.0000000        
G   1
  1      0.2046000              1.0000000        
G   1
  1      0.0854500              1.0000000        
H   1
  1      0.6560000              1.0000000        
H   1
  1      0.3300000              1.0000000        
H   1
  1      0.1655000              1.0000000        
I   1
  1      0.5302000              1.0000000        
I   1
  1      0.2990000              1.0000000        


name: aug-cc-pV6Z
description: V6Z5P Valence Sextuple Zeta + Polarization + Diffuse
elt: Si
data:
SILICON
S   16
  1 4465000.0000000             0.0000017        
  2 668500.0000000              0.0000136        
  3 152200.0000000              0.0000714        
  4  43300.0000000              0.0002973        
  5  14410.0000000              0.0010383        
  6   5394.0000000              0.0031747        
  7   2212.0000000              0.0087324        
  8    968.1000000              0.0223830        
  9    441.2000000              0.0537273        
 10    207.1000000              0.1166490        
 11     99.8000000              0.2159780        
 12     49.2400000              0.3095660        
 13     24.7400000              0.2839450        
 14     12.4700000              0.1222320        
 15      5.7950000              0.0141952        
 16      2.8300000              0.0003121        
S   16
  1 4465000.0000000            -0.0000005        
  2 668500.0000000             -0.0000036        
  3 152200.0000000             -0.0000190        
  4  43300.0000000             -0.0000791        
  5  14410.0000000             -0.0002769        
  6   5394.0000000             -0.0008472        
  7   2212.0000000             -0.0023478        
  8    968.1000000             -0.0060705        
  9    441.2000000             -0.0149711        
 10    207.1000000             -0.0339729        
 11     99.8000000             -0.0694584        
 12     49.2400000             -0.1190010        
 13     24.7400000             -0.1536450        
 14     12.4700000             -0.0704684        
 15      5.7950000              0.2131490        
 16      2.8300000              0.4915960        
S   16
  1 4465000.0000000             0.0000001        
  2 668500.0000000              0.0000009        
  3 152200.0000000              0.0000049        
  4  43300.0000000              0.0000203        
  5  14410.0000000              0.0000709        
  6   5394.0000000              0.0002172        
  7   2212.0000000              0.0006013        
  8    968.1000000              0.0015591        
  9    441.2000000              0.0038443        
 10    207.1000000              0.0087797        
 11     99.8000000              0.0180388        
 12     49.2400000              0.0315224        
 13     24.7400000              0.0416905        
 14     12.4700000              0.0200973        
 15      5.7950000             -0.0667484        
 16      2.8300000             -0.1819060        
S   1
  1      1.4070000              1.0000000        
S   1
  1      0.6995000              1.0000000        
S   1
  1      0.3083000              1.0000000        
S   1
  1      0.1385000              1.0000000        
S   1
  1      0.0614500              1.0000000        
S   1
  1      0.0253900              1.0000000        
P   9
  1   3572.0000000              0.0000599        
  2    846.0000000              0.0005296        
  3    274.8000000              0.0029958        
  4    105.0000000              0.0126335        
  5     44.3500000              0.0419044        
  6     20.0800000              0.1102590        
  7      9.5300000              0.2188310        
  8      4.6340000              0.3178280        
  9      2.2800000              0.3194250        
P   9
  1   3572.0000000             -0.0000128        
  2    846.0000000             -0.0001126        
  3    274.8000000             -0.0006402        
  4    105.0000000             -0.0027029        
  5     44.3500000             -0.0090789        
  6     20.0800000             -0.0242348        
  7      9.5300000             -0.0493460        
  8      4.6340000             -0.0725859        
  9      2.2800000             -0.0804258        
P   1
  1      1.1160000              1.0000000        
P   1
  1      0.4991000              1.0000000        
P   1
  1      0.2254000              1.0000000        
P   1
  1      0.1001000              1.0000000        
P   1
  1      0.0433200              1.0000000        
P   1
  1      0.0169400              1.0000000        
D   1
  1      3.2386000              1.0000000        
D   1
  1      1.3767000              1.0000000        
D   1
  1      0.5853000              1.0000000        
D   1
  1      0.2488000              1.0000000        
D   1
  1      0.1058000              1.0000000        
D   1
  1      0.0413900              1.0000000        
F   1
  1      1.3510000              1.0000000        
F   1
  1      0.6600000              1.0000000        
F   1
  1      0.3225000              1.0000000        
F   1
  1      0.1575000              1.0000000        
F   1
  1      0.0688400              1.0000000        
G   1
  1      0.8528000              1.0000000        
G   1
  1      0.4631000              1.0000000        
G   1
  1      0.2515000              1.0000000        
G   1
  1      0.1164000              1.0000000        
H   1
  1      0.8557000              1.0000000        
H   1
  1      0.4231000              1.0000000        
H   1
  1      0.2351000              1.0000000        
I   1
  1      0.6946000              1.0000000        
I   1
  1      0.4271000              1.0000000        


name: aug-cc-pV6Z
description: V6Z5P Valence Sextuple Zeta + Polarization + Diffuse
elt: P
data:
PHOSPHOROUS
S   16
  1 5384000.0000000             0.0000016        
  2 806200.0000000              0.0000128        
  3 183600.0000000              0.0000672        
  4  52250.0000000              0.0002797        
  5  17390.0000000              0.0009767        
  6   6523.0000000              0.0029684        
  7   2687.0000000              0.0081240        
  8   1178.0000000              0.0209200        
  9    536.2000000              0.0505590        
 10    251.5000000              0.1104790        
 11    121.3000000              0.2069570        
 12     59.8800000              0.3047370        
 13     30.0500000              0.2929520        
 14     15.1200000              0.1355610        
 15      7.0100000              0.0173208        
 16      3.4410000             -0.0000352        
S   16
  1 5384000.0000000            -0.0000004        
  2 806200.0000000             -0.0000035        
  3 183600.0000000             -0.0000183        
  4  52250.0000000             -0.0000759        
  5  17390.0000000             -0.0002657        
  6   6523.0000000             -0.0008080        
  7   2687.0000000             -0.0022273        
  8   1178.0000000             -0.0057833        
  9    536.2000000             -0.0143438        
 10    251.5000000             -0.0327061        
 11    121.3000000             -0.0673716        
 12     59.8800000             -0.1176470        
 13     30.0500000             -0.1572800        
 14     15.1200000             -0.0838544        
 15      7.0100000              0.1997180        
 16      3.4410000              0.4986050        
S   16
  1 5384000.0000000             0.0000001        
  2 806200.0000000              0.0000010        
  3 183600.0000000              0.0000050        
  4  52250.0000000              0.0000209        
  5  17390.0000000              0.0000730        
  6   6523.0000000              0.0002221        
  7   2687.0000000              0.0006122        
  8   1178.0000000              0.0015918        
  9    536.2000000              0.0039534        
 10    251.5000000              0.0090572        
 11    121.3000000              0.0187909        
 12     59.8800000              0.0333831        
 13     30.0500000              0.0459484        
 14     15.1200000              0.0255240        
 15      7.0100000             -0.0669496        
 16      3.4410000             -0.2036450        
S   1
  1      1.7120000              1.0000000        
S   1
  1      0.8337000              1.0000000        
S   1
  1      0.3912000              1.0000000        
S   1
  1      0.1777000              1.0000000        
S   1
  1      0.0793900              1.0000000        
S   1
  1      0.0322800              1.0000000        
P   9
  1   4552.0000000              0.0000520        
  2   1078.0000000              0.0004604        
  3    350.1000000              0.0026208        
  4    133.8000000              0.0111873        
  5     56.5200000              0.0378229        
  6     25.5800000              0.1021160        
  7     12.1400000              0.2103140        
  8      5.9020000              0.3173830        
  9      2.9100000              0.3271650        
P   9
  1   4552.0000000             -0.0000124        
  2   1078.0000000             -0.0001094        
  3    350.1000000             -0.0006256        
  4    133.8000000             -0.0026734        
  5     56.5200000             -0.0091552        
  6     25.5800000             -0.0250993        
  7     12.1400000             -0.0531810        
  8      5.9020000             -0.0815888        
  9      2.9100000             -0.0919725        
P   1
  1      1.4350000              1.0000000        
P   1
  1      0.6570000              1.0000000        
P   1
  1      0.3005000              1.0000000        
P   1
  1      0.1340000              1.0000000        
P   1
  1      0.0578300              1.0000000        
P   1
  1      0.0219700              1.0000000        
D   1
  1      4.3008000              1.0000000        
D   1
  1      1.8346000              1.0000000        
D   1
  1      0.7826000              1.0000000        
D   1
  1      0.3339000              1.0000000        
D   1
  1      0.1424000              1.0000000        
D   1
  1      0.0549200              1.0000000        
F   1
  1      1.8160000              1.0000000        
F   1
  1      0.8806000              1.0000000        
F   1
  1      0.4270000              1.0000000        
F   1
  1      0.2070000              1.0000000        
F   1
  1      0.0871000              1.0000000        
G   1
  1      1.0616000              1.0000000        
G   1
  1      0.5791000              1.0000000        
G   1
  1      0.3159000              1.0000000        
G   1
  1      0.1470000              1.0000000        
H   1
  1      1.0850000              1.0000000        
H   1
  1      0.5277000              1.0000000        
H   1
  1      0.2874000              1.0000000        
I   1
  1      0.8890000              1.0000000        
I   1
  1      0.5151000              1.0000000        


name: aug-cc-pV6Z
description: V6Z5P Valence Sextuple Zeta + Polarization + Diffuse
elt: S
data:
SULFUR
S   16
  1 6297000.0000000             0.0000016        
  2 943100.0000000              0.0000124        
  3 214900.0000000              0.0000649        
  4  61250.0000000              0.0002693        
  5  20450.0000000              0.0009347        
  6   7719.0000000              0.0028083        
  7   3198.0000000              0.0076740        
  8   1402.0000000              0.0198898        
  9    637.2000000              0.0482589        
 10    298.9000000              0.1057570        
 11    144.3000000              0.2002230        
 12     71.2100000              0.3007280        
 13     35.7300000              0.2986880        
 14     17.9700000              0.1463470        
 15      8.3410000              0.0201159        
 16      4.1120000             -0.0002488        
S   16
  1 6297000.0000000            -0.0000004        
  2 943100.0000000             -0.0000034        
  3 214900.0000000             -0.0000179        
  4  61250.0000000             -0.0000744        
  5  20450.0000000             -0.0002587        
  6   7719.0000000             -0.0007777        
  7   3198.0000000             -0.0021396        
  8   1402.0000000             -0.0055906        
  9    637.2000000             -0.0139076        
 10    298.9000000             -0.0317689        
 11    144.3000000             -0.0659302        
 12     71.2100000             -0.1168320        
 13     35.7300000             -0.1597870        
 14     17.9700000             -0.0945322        
 15      8.3410000              0.1878280        
 16      4.1120000              0.5046830        
S   16
  1 6297000.0000000             0.0000001        
  2 943100.0000000              0.0000010        
  3 214900.0000000              0.0000052        
  4  61250.0000000              0.0000216        
  5  20450.0000000              0.0000751        
  6   7719.0000000              0.0002258        
  7   3198.0000000              0.0006217        
  8   1402.0000000              0.0016251        
  9    637.2000000              0.0040535        
 10    298.9000000              0.0092902        
 11    144.3000000              0.0194561        
 12     71.2100000              0.0350040        
 13     35.7300000              0.0494897        
 14     17.9700000              0.0303443        
 15      8.3410000             -0.0663661        
 16      4.1120000             -0.2231540        
S   1
  1      2.0450000              1.0000000        
S   1
  1      0.9770000              1.0000000        
S   1
  1      0.4766000              1.0000000        
S   1
  1      0.2185000              1.0000000        
S   1
  1      0.0975900              1.0000000        
S   1
  1      0.0389300              1.0000000        
P   9
  1   5266.0000000              0.0000523        
  2   1247.0000000              0.0004635        
  3    405.0000000              0.0026410        
  4    154.8000000              0.0113169        
  5     65.3800000              0.0384704        
  6     29.5900000              0.1043390        
  7     14.0400000              0.2156840        
  8      6.8240000              0.3252600        
  9      3.3690000              0.3261780        
P   9
  1   5266.0000000             -0.0000133        
  2   1247.0000000             -0.0001179        
  3    405.0000000             -0.0006759        
  4    154.8000000             -0.0028973        
  5     65.3800000             -0.0099980        
  6     29.5900000             -0.0275416        
  7     14.0400000             -0.0587943        
  8      6.8240000             -0.0903761        
  9      3.3690000             -0.0999891        
P   1
  1      1.6660000              1.0000000        
P   1
  1      0.7681000              1.0000000        
P   1
  1      0.3504000              1.0000000        
P   1
  1      0.1556000              1.0000000        
P   1
  1      0.0668100              1.0000000        
P   1
  1      0.0264800              1.0000000        
D   1
  1      5.0755000              1.0000000        
D   1
  1      2.1833000              1.0000000        
D   1
  1      0.9392000              1.0000000        
D   1
  1      0.4040000              1.0000000        
D   1
  1      0.1738000              1.0000000        
D   1
  1      0.0698600              1.0000000        
F   1
  1      2.2120000              1.0000000        
F   1
  1      1.0630000              1.0000000        
F   1
  1      0.5100000              1.0000000        
F   1
  1      0.2450000              1.0000000        
F   1
  1      0.1100000              1.0000000        
G   1
  1      1.3473000              1.0000000        
G   1
  1      0.7009000              1.0000000        
G   1
  1      0.3647000              1.0000000        
G   1
  1      0.1799000              1.0000000        
H   1
  1      1.2861000              1.0000000        
H   1
  1      0.6115000              1.0000000        
H   1
  1      0.3465000              1.0000000        
I   1
  1      1.0409000              1.0000000        
I   1
  1      0.6222000              1.0000000        


name: aug-cc-pV6Z
description: V6Z5P Valence Sextuple Zeta + Polarization + Diffuse
elt: Cl
data:
CHLORINE
S   16
  1 7733000.0000000             0.14347400E-05   
  2 1158000.0000000             0.11148600E-04   
  3 263700.0000000              0.58586500E-04   
  4  75010.0000000              0.24451800E-03   
  5  24890.0000000              0.85828700E-03   
  6   9318.0000000              0.26101900E-02   
  7   3840.0000000              0.71378400E-02   
  8   1684.0000000              0.18456400E-01   
  9    766.3000000              0.44894400E-01   
 10    359.5000000              0.99382200E-01   
 11    173.4000000              0.19078200       
 12     85.6100000              0.29356500       
 13     42.9300000              0.30647700       
 14     21.5500000              0.16220900       
 15     10.0500000              0.24938300E-01   
 16      4.9780000             -0.51314200E-03   
S   16
  1 7733000.0000000            -0.40222700E-06   
  2 1158000.0000000            -0.31244800E-05   
  3 263700.0000000             -0.16429000E-04   
  4  75010.0000000             -0.68542100E-04   
  5  24890.0000000             -0.24100100E-03   
  6   9318.0000000             -0.73353800E-03   
  7   3840.0000000             -0.20183000E-02   
  8   1684.0000000             -0.52610700E-02   
  9    766.3000000             -0.13098600E-01   
 10    359.5000000             -0.30179400E-01   
 11    173.4000000             -0.63188800E-01   
 12     85.6100000             -0.11385900       
 13     42.9300000             -0.16125100       
 14     21.5500000             -0.10923400       
 15     10.0500000              0.16299900       
 16      4.9780000              0.50141300       
S   16
  1 7733000.0000000             0.12169600E-06   
  2 1158000.0000000             0.94514100E-06   
  3 263700.0000000              0.49711900E-05   
  4  75010.0000000              0.20732300E-04   
  5  24890.0000000              0.72940200E-04   
  6   9318.0000000              0.22189900E-03   
  7   3840.0000000              0.61135500E-03   
  8   1684.0000000              0.15933700E-02   
  9    766.3000000              0.39800100E-02   
 10    359.5000000              0.91937500E-02   
 11    173.4000000              0.19439900E-01   
 12     85.6100000              0.35518700E-01   
 13     42.9300000              0.52067400E-01   
 14     21.5500000              0.36564400E-01   
 15     10.0500000             -0.59750000E-01   
 16      4.9780000             -0.23164100       
S   1
  1      2.4780000              1.0000000        
S   1
  1      1.1800000              1.0000000        
S   1
  1      0.5828000              1.0000000        
S   1
  1      0.2668000              1.0000000        
S   1
  1      0.1183000              1.0000000        
S   1
  1      0.0462500              1.0000000        
P   9
  1   6091.0000000              0.51619400E-04   
  2   1442.0000000              0.45846800E-03   
  3    468.3000000              0.26150900E-02   
  4    179.0000000              0.11255400E-01   
  5     75.6100000              0.38457700E-01   
  6     34.2200000              0.10508100E+00   
  7     16.2300000              0.21860300E+00   
  8      7.8900000              0.33087400E+00   
  9      3.8980000              0.32587900E+00   
P   9
  1   6091.0000000             -0.13925900E-04   
  2   1442.0000000             -0.12332400E-03   
  3    468.3000000             -0.70755100E-03   
  4    179.0000000             -0.30493900E-02   
  5     75.6100000             -0.10575200E-01   
  6     34.2200000             -0.29409400E-01   
  7     16.2300000             -0.63229600E-01   
  8      7.8900000             -0.98187000E-01   
  9      3.8980000             -0.10587000E+00   
P   1
  1      1.9330000              1.0000000        
P   1
  1      0.9057000              1.0000000        
P   1
  1      0.4140000              1.0000000        
P   1
  1      0.1836000              1.0000000        
P   1
  1      0.0785900              1.0000000        
P   1
  1      0.0316300              1.0000000        
D   1
  1      6.2428000              1.0000000        
D   1
  1      2.6906000              1.0000000        
D   1
  1      1.1596000              1.0000000        
D   1
  1      0.4998000              1.0000000        
D   1
  1      0.2154000              1.0000000        
D   1
  1      0.0888500              1.0000000        
F   1
  1      2.5327000              1.0000000        
F   1
  1      1.2406000              1.0000000        
F   1
  1      0.6077000              1.0000000        
F   1
  1      0.2977000              1.0000000        
F   1
  1      0.1465000              1.0000000        
G   1
  1      1.5388000              1.0000000        
G   1
  1      0.8050000              1.0000000        
G   1
  1      0.4212000              1.0000000        
G   1
  1      0.2177000              1.0000000        
H   1
  1      1.5613000              1.0000000        
H   1
  1      0.7397000              1.0000000        
H   1
  1      0.4365000              1.0000000        
I   1
  1      1.2572000              1.0000000        
I   1
  1      0.8074000              1.0000000        


name: aug-cc-pV6Z
description: V6Z5P Valence Sextuple Zeta + Polarization + Diffuse
elt: Ar
data:
ARGON
S   16
  1 9149000.0000000             0.0000013        
  2 1370000.0000000             0.0000104        
  3 311900.0000000              0.0000549        
  4  88650.0000000              0.0002296        
  5  29330.0000000              0.0008103        
  6  10930.0000000              0.0024853        
  7   4480.0000000              0.0068369        
  8   1962.0000000              0.0176199        
  9    894.1000000              0.0428752        
 10    419.6000000              0.0954853        
 11    202.3000000              0.1850640        
 12     99.8400000              0.2890420        
 13     50.0700000              0.3101660        
 14     25.1400000              0.1721830        
 15     11.8100000              0.0285227        
 16      5.8820000             -0.0005757        
S   16
  1 9149000.0000000            -0.0000004        
  2 1370000.0000000            -0.0000030        
  3 311900.0000000             -0.0000156        
  4  88650.0000000             -0.0000652        
  5  29330.0000000             -0.0002304        
  6  10930.0000000             -0.0007075        
  7   4480.0000000             -0.0019573        
  8   1962.0000000             -0.0050856        
  9    894.1000000             -0.0126528        
 10    419.6000000             -0.0293065        
 11    202.3000000             -0.0617712        
 12     99.8400000             -0.1125410        
 13     50.0700000             -0.1622930        
 14     25.1400000             -0.1184120        
 15     11.8100000              0.1461480        
 16      5.8820000              0.4977520        
S   16
  1 9149000.0000000             0.0000001        
  2 1370000.0000000             0.0000009        
  3 311900.0000000              0.0000049        
  4  88650.0000000              0.0000204        
  5  29330.0000000              0.0000720        
  6  10930.0000000              0.0002210        
  7   4480.0000000              0.0006125        
  8   1962.0000000              0.0015908        
  9    894.1000000              0.0039722        
 10    419.6000000              0.0092204        
 11    202.3000000              0.0196367        
 12     99.8400000              0.0362570        
 13     50.0700000              0.0541725        
 14     25.1400000              0.0409996        
 15     11.8100000             -0.0551744        
 16      5.8820000             -0.2387540        
S   1
  1      2.9390000              1.0000000        
S   1
  1      1.4050000              1.0000000        
S   1
  1      0.6963000              1.0000000        
S   1
  1      0.3188000              1.0000000        
S   1
  1      0.1410000              1.0000000        
S   1
  1      0.0535700              1.0000000        
P   9
  1   7050.0000000              0.0000502        
  2   1669.0000000              0.0004454        
  3    542.1000000              0.0025480        
  4    207.1000000              0.0110155        
  5     87.5200000              0.0378490        
  6     39.6100000              0.1043550        
  7     18.7800000              0.2193350        
  8      9.1300000              0.3346150        
  9      4.5160000              0.3267710        
P   9
  1   7050.0000000             -0.0000140        
  2   1669.0000000             -0.0001243        
  3    542.1000000             -0.0007147        
  4    207.1000000             -0.0030968        
  5     87.5200000             -0.0107961        
  6     39.6100000             -0.0303536        
  7     18.7800000             -0.0659785        
  8      9.1300000             -0.1038770        
  9      4.5160000             -0.1099560        
P   1
  1      2.2450000              1.0000000        
P   1
  1      1.0650000              1.0000000        
P   1
  1      0.4885000              1.0000000        
P   1
  1      0.2166000              1.0000000        
P   1
  1      0.0925500              1.0000000        
P   1
  1      0.0367800              1.0000000        
D   1
  1      7.6327000              1.0000000        
D   1
  1      3.2876000              1.0000000        
D   1
  1      1.4160000              1.0000000        
D   1
  1      0.6099000              1.0000000        
D   1
  1      0.2627000              1.0000000        
D   1
  1      0.1078000              1.0000000        
F   1
  1      3.0582000              1.0000000        
F   1
  1      1.5292000              1.0000000        
F   1
  1      0.7647000              1.0000000        
F   1
  1      0.3824000              1.0000000        
F   1
  1      0.1830000              1.0000000        
G   1
  1      1.8450000              1.0000000        
G   1
  1      0.9657000              1.0000000        
G   1
  1      0.5055000              1.0000000        
G   1
  1      0.2555000              1.0000000        
H   1
  1      1.8743000              1.0000000        
H   1
  1      0.8871000              1.0000000        
H   1
  1      0.5265000              1.0000000        
I   1
  1      1.5066000              1.0000000        
I   1
  1      0.9926000              1.0000000        


name: aug-cc-pVDZ Diffuse
description: 1D Diffuse Functions
elt: H
data:
HYDROGEN
S   1
  1      0.0297400              1.0000000        
P   1
  1      0.1410000              1.0000000        


name: aug-cc-pVDZ Diffuse
description: 1D Diffuse Functions
elt: He
data:
HELIUM
S   1
  1      0.0725500              1.0000000        
P   1
  1      0.2473000              1.0000000        


name: aug-cc-pVDZ Diffuse
description: 1D Diffuse Functions
elt: Li
data:
LITHIUM
S   1
  1      0.0086400              1.0000000        
P   1
  1      0.0057900              1.0000000        
D   1
  1      0.0725000              1.0000000        


name: aug-cc-pVDZ Diffuse
description: 1D Diffuse Functions
elt: Be
data:
BERYLLIUM
S   1
  1      0.0187700              1.0000000        
P   1
  1      0.0085000              1.0000000        
D   1
  1      0.0740000              1.0000000        


name: aug-cc-pVDZ Diffuse
description: 1D Diffuse Functions
elt: B
data:
BORON
S   1
  1      0.0310500              1.0000000        
P   1
  1      0.0237800              1.0000000        
D   1
  1      0.0904000              1.0000000        


name: aug-cc-pVDZ Diffuse
description: 1D Diffuse Functions
elt: C
data:
CARBON
S   1
  1      0.0469000              1.0000000        
P   1
  1      0.0404100              1.0000000        
D   1
  1      0.1510000              1.0000000        


name: aug-cc-pVDZ Diffuse
description: 1D Diffuse Functions
elt: N
data:
NITROGEN
S   1
  1      0.0612400              1.0000000        
P   1
  1      0.0561100              1.0000000        
D   1
  1      0.2300000              1.0000000        


name: aug-cc-pVDZ Diffuse
description: 1D Diffuse Functions
elt: O
data:
OXYGEN
S   1
  1      0.0789600              1.0000000        
P   1
  1      0.0685600              1.0000000        
D   1
  1      0.3320000              1.0000000        


name: aug-cc-pVDZ Diffuse
description: 1D Diffuse Functions
elt: F
data:
FLUORINE
S   1
  1      0.0986300              1.0000000        
P   1
  1      0.0850200              1.0000000        
D   1
  1      0.4640000              1.0000000        


name: aug-cc-pVDZ Diffuse
description: 1D Diffuse Functions
elt: Ne
data:
NEON
S   1
  1      0.1230000              1.0000000        
P   1
  1      0.1064000              1.0000000        
D   1
  1      0.6310000              1.0000000        


name: aug-cc-pVDZ Diffuse
description: 1D Diffuse Functions
elt: Na
data:
SODIUM
S   1
  1      0.0072500              1.0000000        
P   1
  1      0.0063300              1.0000000        
D   1
  1      0.0468000              1.0000000        


name: aug-cc-pVDZ Diffuse
description: 1D Diffuse Functions
elt: Mg
data:
MAGNESIUM
S   1
  1      0.0148800              1.0000000        
P   1
  1      0.0093500              1.0000000        
D   1
  1      0.0595000              1.0000000        


name: aug-cc-pVDZ Diffuse
description: 1D Diffuse Functions
elt: Al
data:
ALUMINUM
S   1
  1      0.0231000              1.0000000        
P   1
  1      0.0153000              1.0000000        
D   1
  1      0.0535000              1.0000000        


name: aug-cc-pVDZ Diffuse
description: 1D Diffuse Functions
elt: Si
data:
SILICON
S   1
  1      0.0332000              1.0000000        
P   1
  1      0.0250000              1.0000000        
D   1
  1      0.0823000              1.0000000        


name: aug-cc-pVDZ Diffuse
description: 1D Diffuse Functions
elt: P
data:
PHOSPHOROUS
S   1
  1      0.0417000              1.0000000        
P   1
  1      0.0343000              1.0000000        
D   1
  1      0.1130000              1.0000000        


name: aug-cc-pVDZ Diffuse
description: 1D Diffuse Functions
elt: S
data:
SULFUR
S   1
  1      0.0507000              1.0000000        
P   1
  1      0.0399000              1.0000000        
D   1
  1      0.1520000              1.0000000        


name: aug-cc-pVDZ Diffuse
description: 1D Diffuse Functions
elt: Cl
data:
CHLORINE
S   1
  1      0.0608000              1.0000000        
P   1
  1      0.0466000              1.0000000        
D   1
  1      0.1960000              1.0000000        


name: aug-cc-pVDZ Diffuse
description: 1D Diffuse Functions
elt: Ar
data:
ARGON
S   1
  1      0.0709000              1.0000000        
P   1
  1      0.0533000              1.0000000        
D   1
  1      0.2400000              1.0000000        


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


name: aug-cc-pVDZ Diffuse
description: 1D Diffuse Functions
elt: Ti
data:
TITANIUM
S   1
  1      1.173000E-02           1.0000000        
P   1
  1      1.176000E-02           1.0000000        
D   1
  1      1.726000E-02           1.0000000        
F   1
  1      8.266000E-02           1.0000000        


name: aug-cc-pVDZ Diffuse
description: 1D Diffuse Functions
elt: V
data:
VANADIUM
S   1
  1      1.232000E-02           1.0000000        
P   1
  1      1.244000E-02           1.0000000        
D   1
  1      2.256000E-02           1.0000000        
F   1
  1      1.311200E-01           1.0000000        


name: aug-cc-pVDZ Diffuse
description: 1D Diffuse Functions
elt: Cr
data:
CHROMIUM
S   1
  1      1.247000E-02           1.0000000        
P   1
  1      1.307000E-02           1.0000000        
D   1
  1      2.517000E-02           1.0000000        
F   1
  1      1.763600E-01           1.0000000        


name: aug-cc-pVDZ Diffuse
description: 1D Diffuse Functions
elt: Mn
data:
MANGANESE
S   1
  1      1.335000E-02           1.0000000        
P   1
  1      1.380000E-02           1.0000000        
D   1
  1      2.875000E-02           1.0000000        
F   1
  1      2.226000E-01           1.0000000        


name: aug-cc-pVDZ Diffuse
description: 1D Diffuse Functions
elt: Fe
data:
IRON
S   1
  1      1.401000E-02           1.0000000        
P   1
  1      1.407000E-02           1.0000000        
D   1
  1      3.243000E-02           1.0000000        
F   1
  1      2.749000E-01           1.0000000        


name: aug-cc-pVDZ Diffuse
description: 1D Diffuse Functions
elt: Co
data:
COBALT
S   1
  1      1.459000E-02           1.0000000        
P   1
  1      1.525000E-02           1.0000000        
D   1
  1      3.625000E-02           1.0000000        
F   1
  1      3.271500E-01           1.0000000        


name: aug-cc-pVDZ Diffuse
description: 1D Diffuse Functions
elt: Ni
data:
NICKEL
S   1
  1      1.516000E-02           1.0000000        
P   1
  1      1.502000E-02           1.0000000        
D   1
  1      4.067000E-02           1.0000000        
F   1
  1      4.083000E-01           1.0000000        


name: aug-cc-pVDZ Diffuse
description: 1D Diffuse Functions
elt: Cu
data:
COPPER
S   1
  1      1.572000E-02           1.0000000        
P   1
  1      1.545000E-02           1.0000000        
D   1
  1      6.591000E-02           1.0000000        
F   1
  1      4.617200E-01           1.0000000        


name: aug-cc-pVDZ Diffuse
description: 1D Diffuse Functions
elt: Zn
data:
ZINC
S   1
  1      1.623000E-02           1.0000000        
P   1
  1      1.592000E-02           1.0000000        
D   1
  1      9.049000E-02           1.0000000        
F   1
  1      5.486100E-01           1.0000000        


name: aug-cc-pVDZ Diffuse
description: 1D Diffuse Functions
elt: Ga
data:
GALLIUM
S   1
  1      0.0243480              1.0000000        
P   1
  1      0.0151640              1.0000000        
D   1
  1      0.0537000              1.0000000        


name: aug-cc-pVDZ Diffuse
description: 1D Diffuse Functions
elt: Ge
data:
GERMANIUM
S   1
  1      0.0339610              1.0000000        
P   1
  1      0.0239450              1.0000000        
D   1
  1      0.0771000              1.0000000        


name: aug-cc-pVDZ Diffuse
description: 1D Diffuse Functions
elt: As
data:
ARSENIC
S   1
  1      0.0411520              1.0000000        
P   1
  1      0.0312680              1.0000000        
D   1
  1      0.1078000              1.0000000        


name: aug-cc-pVDZ Diffuse
description: 1D Diffuse Functions
elt: Se
data:
SELENIUM
S   1
  1      0.0487470              1.0000000        
P   1
  1      0.0354920              1.0000000        
D   1
  1      0.1283000              1.0000000        


name: aug-cc-pVDZ Diffuse
description: 1D Diffuse Functions
elt: Br
data:
BROMINE
S   1
  1      0.0569460              1.0000000        
P   1
  1      0.0410490              1.0000000        
D   1
  1      0.1719000              1.0000000        


name: aug-cc-pVDZ Diffuse
description: 1D Diffuse Functions
elt: Kr
data:
KRYPTON
S   1
  1      0.0651450              1.0000000        
P   1
  1      0.0466060              1.0000000        
D   1
  1      0.2155000              1.0000000        


name: aug-cc-pVDZ
description: VDZ2PD Valence Double Zeta + Polarization + Diffuse
elt: H
data:
HYDROGEN
S   3
  1     13.0100000              0.0196850        
  2      1.9620000              0.1379770        
  3      0.4446000              0.4781480        
S   1
  1      0.1220000              1.0000000        
S   1
  1      0.0297400              1.0000000        
P   1
  1      0.7270000              1.0000000        
P   1
  1      0.1410000              1.0000000        


name: aug-cc-pVDZ
description: VDZ2PD Valence Double Zeta + Polarization + Diffuse
elt: He
data:
HELIUM
S   3
  1     38.3600000              0.0238090        
  2      5.7700000              0.1548910        
  3      1.2400000              0.4699870        
S   1
  1      0.2976000              1.0000000        
S   1
  1      0.0725500              1.0000000        
P   1
  1      1.2750000              1.0000000        
P   1
  1      0.2473000              1.0000000        


name: aug-cc-pVDZ
description: VDZ2PD Valence Double Zeta + Polarization + Diffuse
elt: Li
data:
LITHIUM
S   8
  1   1469.0000000              0.0007660        
  2    220.5000000              0.0058920        
  3     50.2600000              0.0296710        
  4     14.2400000              0.1091800        
  5      4.5810000              0.2827890        
  6      1.5800000              0.4531230        
  7      0.5640000              0.2747740        
  8      0.0734500              0.0097510        
S   8
  1   1469.0000000             -0.0001200        
  2    220.5000000             -0.0009230        
  3     50.2600000             -0.0046890        
  4     14.2400000             -0.0176820        
  5      4.5810000             -0.0489020        
  6      1.5800000             -0.0960090        
  7      0.5640000             -0.1363800        
  8      0.0734500              0.5751020        
S   1
  1      0.0280500              1.0000000        
S   1
  1      0.0086400              1.0000000        
P   3
  1      1.5340000              0.0227840        
  2      0.2749000              0.1391070        
  3      0.0736200              0.5003750        
P   1
  1      0.0240300              1.0000000        
P   1
  1      0.0057900              1.0000000        
D   1
  1      0.1239000              1.0000000        
D   1
  1      0.0725000              1.0000000        


name: aug-cc-pVDZ
description: VDZ2PD Valence Double Zeta + Polarization + Diffuse
elt: Be
data:
BERYLLIUM
S   8
  1   2940.0000000              0.0006800        
  2    441.2000000              0.0052360        
  3    100.5000000              0.0266060        
  4     28.4300000              0.0999930        
  5      9.1690000              0.2697020        
  6      3.1960000              0.4514690        
  7      1.1590000              0.2950740        
  8      0.1811000              0.0125870        
S   8
  1   2940.0000000             -0.0001230        
  2    441.2000000             -0.0009660        
  3    100.5000000             -0.0048310        
  4     28.4300000             -0.0193140        
  5      9.1690000             -0.0532800        
  6      3.1960000             -0.1207230        
  7      1.1590000             -0.1334350        
  8      0.1811000              0.5307670        
S   1
  1      0.0589000              1.0000000        
S   1
  1      0.0187700              1.0000000        
P   3
  1      3.6190000              0.0291110        
  2      0.7110000              0.1693650        
  3      0.1951000              0.5134580        
P   1
  1      0.0601800              1.0000000        
P   1
  1      0.0085000              1.0000000        
D   1
  1      0.2380000              1.0000000        
D   1
  1      0.0740000              1.0000000        


name: aug-cc-pVDZ
description: VDZ2PD Valence Double Zeta + Polarization + Diffuse
elt: B
data:
BORON
S   8
  1   4570.0000000              0.0006960        
  2    685.9000000              0.0053530        
  3    156.5000000              0.0271340        
  4     44.4700000              0.1013800        
  5     14.4800000              0.2720550        
  6      5.1310000              0.4484030        
  7      1.8980000              0.2901230        
  8      0.3329000              0.0143220        
S   8
  1   4570.0000000             -0.0001390        
  2    685.9000000             -0.0010970        
  3    156.5000000             -0.0054440        
  4     44.4700000             -0.0219160        
  5     14.4800000             -0.0597510        
  6      5.1310000             -0.1387320        
  7      1.8980000             -0.1314820        
  8      0.3329000              0.5395260        
S   1
  1      0.1043000              1.0000000        
S   1
  1      0.0310500              1.0000000        
P   3
  1      6.0010000              0.0354810        
  2      1.2410000              0.1980720        
  3      0.3364000              0.5052300        
P   1
  1      0.0953800              1.0000000        
P   1
  1      0.0237800              1.0000000        
D   1
  1      0.3430000              1.0000000        
D   1
  1      0.0904000              1.0000000        


name: aug-cc-pVDZ
description: VDZ2PD Valence Double Zeta + Polarization + Diffuse
elt: C
data:
CARBON
S   8
  1   6665.0000000              0.0006920        
  2   1000.0000000              0.0053290        
  3    228.0000000              0.0270770        
  4     64.7100000              0.1017180        
  5     21.0600000              0.2747400        
  6      7.4950000              0.4485640        
  7      2.7970000              0.2850740        
  8      0.5215000              0.0152040        
S   8
  1   6665.0000000             -0.0001460        
  2   1000.0000000             -0.0011540        
  3    228.0000000             -0.0057250        
  4     64.7100000             -0.0233120        
  5     21.0600000             -0.0639550        
  6      7.4950000             -0.1499810        
  7      2.7970000             -0.1272620        
  8      0.5215000              0.5445290        
S   1
  1      0.1596000              1.0000000        
S   1
  1      0.0469000              1.0000000        
P   3
  1      9.4390000              0.0381090        
  2      2.0020000              0.2094800        
  3      0.5456000              0.5085570        
P   1
  1      0.1517000              1.0000000        
P   1
  1      0.0404100              1.0000000        
D   1
  1      0.5500000              1.0000000        
D   1
  1      0.1510000              1.0000000        


name: aug-cc-pVDZ
description: VDZ2PD Valence Double Zeta + Polarization + Diffuse
elt: N
data:
NITROGEN
S   8
  1   9046.0000000              0.0007000        
  2   1357.0000000              0.0053890        
  3    309.3000000              0.0274060        
  4     87.7300000              0.1032070        
  5     28.5600000              0.2787230        
  6     10.2100000              0.4485400        
  7      3.8380000              0.2782380        
  8      0.7466000              0.0154400        
S   8
  1   9046.0000000             -0.0001530        
  2   1357.0000000             -0.0012080        
  3    309.3000000             -0.0059920        
  4     87.7300000             -0.0245440        
  5     28.5600000             -0.0674590        
  6     10.2100000             -0.1580780        
  7      3.8380000             -0.1218310        
  8      0.7466000              0.5490030        
S   1
  1      0.2248000              1.0000000        
S   1
  1      0.0612400              1.0000000        
P   3
  1     13.5500000              0.0399190        
  2      2.9170000              0.2171690        
  3      0.7973000              0.5103190        
P   1
  1      0.2185000              1.0000000        
P   1
  1      0.0561100              1.0000000        
D   1
  1      0.8170000              1.0000000        
D   1
  1      0.2300000              1.0000000        


name: aug-cc-pVDZ
description: VDZ2PD Valence Double Zeta + Polarization + Diffuse
elt: O
data:
OXYGEN
S   8
  1  11720.0000000              0.0007100        
  2   1759.0000000              0.0054700        
  3    400.8000000              0.0278370        
  4    113.7000000              0.1048000        
  5     37.0300000              0.2830620        
  6     13.2700000              0.4487190        
  7      5.0250000              0.2709520        
  8      1.0130000              0.0154580        
S   8
  1  11720.0000000             -0.0001600        
  2   1759.0000000             -0.0012630        
  3    400.8000000             -0.0062670        
  4    113.7000000             -0.0257160        
  5     37.0300000             -0.0709240        
  6     13.2700000             -0.1654110        
  7      5.0250000             -0.1169550        
  8      1.0130000              0.5573680        
S   1
  1      0.3023000              1.0000000        
S   1
  1      0.0789600              1.0000000        
P   3
  1     17.7000000              0.0430180        
  2      3.8540000              0.2289130        
  3      1.0460000              0.5087280        
P   1
  1      0.2753000              1.0000000        
P   1
  1      0.0685600              1.0000000        
D   1
  1      1.1850000              1.0000000        
D   1
  1      0.3320000              1.0000000        


name: aug-cc-pVDZ
description: VDZ2PD Valence Double Zeta + Polarization + Diffuse
elt: F
data:
FLUORINE
S   8
  1  14710.0000000              0.0007210        
  2   2207.0000000              0.0055530        
  3    502.8000000              0.0282670        
  4    142.6000000              0.1064440        
  5     46.4700000              0.2868140        
  6     16.7000000              0.4486410        
  7      6.3560000              0.2647610        
  8      1.3160000              0.0153330        
S   8
  1  14710.0000000             -0.0001650        
  2   2207.0000000             -0.0013080        
  3    502.8000000             -0.0064950        
  4    142.6000000             -0.0266910        
  5     46.4700000             -0.0736900        
  6     16.7000000             -0.1707760        
  7      6.3560000             -0.1123270        
  8      1.3160000              0.5628140        
S   1
  1      0.3897000              1.0000000        
S   1
  1      0.0986300              1.0000000        
P   3
  1     22.6700000              0.0448780        
  2      4.9770000              0.2357180        
  3      1.3470000              0.5085210        
P   1
  1      0.3471000              1.0000000        
P   1
  1      0.0850200              1.0000000        
D   1
  1      1.6400000              1.0000000        
D   1
  1      0.4640000              1.0000000        


name: aug-cc-pVDZ
description: VDZ2PD Valence Double Zeta + Polarization + Diffuse
elt: Ne
data:
NEON
S   8
  1  17880.0000000              0.0007380        
  2   2683.0000000              0.0056770        
  3    611.5000000              0.0288830        
  4    173.5000000              0.1085400        
  5     56.6400000              0.2909070        
  6     20.4200000              0.4483240        
  7      7.8100000              0.2580260        
  8      1.6530000              0.0150630        
S   8
  1  17880.0000000             -0.0001720        
  2   2683.0000000             -0.0013570        
  3    611.5000000             -0.0067370        
  4    173.5000000             -0.0276630        
  5     56.6400000             -0.0762080        
  6     20.4200000             -0.1752270        
  7      7.8100000             -0.1070380        
  8      1.6530000              0.5670500        
S   1
  1      0.4869000              1.0000000        
S   1
  1      0.1230000              1.0000000        
P   3
  1     28.3900000              0.0460870        
  2      6.2700000              0.2401810        
  3      1.6950000              0.5087440        
P   1
  1      0.4317000              1.0000000        
P   1
  1      0.1064000              1.0000000        
D   1
  1      2.2020000              1.0000000        
D   1
  1      0.6310000              1.0000000        


name: aug-cc-pVDZ
description: VDZ2PD Valence Double Zeta + Polarization + Diffuse
elt: Na
data:
SODIUM
S   11
  1  31700.0000000              0.458878D-03     
  2   4755.0000000              0.355070D-02     
  3   1082.0000000              0.182618D-01     
  4    306.4000000              0.716650D-01     
  5     99.5300000              0.212346D+00     
  6     35.4200000              0.416203D+00     
  7     13.3000000              0.373020D+00     
  8      4.3920000              0.625054D-01     
  9      1.6760000             -0.624532D-02     
 10      0.5889000              0.243374D-02     
 11      0.0564000             -0.442381D-03     
S   11
  1  31700.0000000             -0.112162D-03     
  2   4755.0000000             -0.868512D-03     
  3   1082.0000000             -0.451330D-02     
  4    306.4000000             -0.181436D-01     
  5     99.5300000             -0.580799D-01     
  6     35.4200000             -0.137653D+00     
  7     13.3000000             -0.193908D+00     
  8      4.3920000              0.858009D-01     
  9      1.6760000              0.604419D+00     
 10      0.5889000              0.441719D+00     
 11      0.0564000              0.130547D-01     
S   11
  1  31700.0000000              0.170160D-04     
  2   4755.0000000              0.130693D-03     
  3   1082.0000000              0.687784D-03     
  4    306.4000000              0.272359D-02     
  5     99.5300000              0.895529D-02     
  6     35.4200000              0.207832D-01     
  7     13.3000000              0.319380D-01     
  8      4.3920000             -0.191368D-01     
  9      1.6760000             -0.102595D+00     
 10      0.5889000             -0.198945D+00     
 11      0.0564000              0.655952D+00     
S   1
  1      0.0230700              1.0000000        
S   1
  1      0.0072500              1.0000000        
P   7
  1    138.1000000              0.579641D-02     
  2     32.2400000              0.415756D-01     
  3      9.9850000              0.162873D+00     
  4      3.4840000              0.359401D+00     
  5      1.2310000              0.449988D+00     
  6      0.4177000              0.227507D+00     
  7      0.0651300              0.808247D-02     
P   7
  1    138.1000000             -0.581531D-03     
  2     32.2400000             -0.407306D-02     
  3      9.9850000             -0.167937D-01     
  4      3.4840000             -0.353268D-01     
  5      1.2310000             -0.521971D-01     
  6      0.4177000             -0.168359D-01     
  7      0.0651300              0.434613D+00     
P   1
  1      0.0205300              1.0000000        
P   1
  1      0.0063300              1.0000000        
D   1
  1      0.0973000              1.0000000        
D   1
  1      0.0468000              1.0000000        


name: aug-cc-pVDZ
description: VDZ2PD Valence Double Zeta + Polarization + Diffuse
elt: Mg
data:
MAGNESIUM
S   11
  1  47390.0000000              0.346023D-03     
  2   7108.0000000              0.268077D-02     
  3   1618.0000000              0.138367D-01     
  4    458.4000000              0.551767D-01     
  5    149.3000000              0.169660D+00     
  6     53.5900000              0.364703D+00     
  7     20.7000000              0.406856D+00     
  8      8.3840000              0.135089D+00     
  9      2.5420000              0.490884D-02     
 10      0.8787000              0.286460D-03     
 11      0.1077000              0.264590D-04     
S   11
  1  47390.0000000             -0.877839D-04     
  2   7108.0000000             -0.674725D-03     
  3   1618.0000000             -0.355603D-02     
  4    458.4000000             -0.142154D-01     
  5    149.3000000             -0.476748D-01     
  6     53.5900000             -0.114892D+00     
  7     20.7000000             -0.200676D+00     
  8      8.3840000             -0.341224D-01     
  9      2.5420000              0.570454D+00     
 10      0.8787000              0.542309D+00     
 11      0.1077000              0.218128D-01     
S   11
  1  47390.0000000              0.169628D-04     
  2   7108.0000000              0.129865D-03     
  3   1618.0000000              0.688831D-03     
  4    458.4000000              0.273533D-02     
  5    149.3000000              0.931224D-02     
  6     53.5900000              0.223265D-01     
  7     20.7000000              0.411195D-01     
  8      8.3840000              0.545642D-02     
  9      2.5420000             -0.134012D+00     
 10      0.8787000             -0.256176D+00     
 11      0.1077000              0.605856D+00     
S   1
  1      0.0399900              1.0000000        
S   1
  1      0.0148800              1.0000000        
P   7
  1    179.9000000              0.538161D-02     
  2     42.1400000              0.392418D-01     
  3     13.1300000              0.157445D+00     
  4      4.6280000              0.358535D+00     
  5      1.6700000              0.457226D+00     
  6      0.5857000              0.215918D+00     
  7      0.1311000              0.664948D-02     
P   7
  1    179.9000000             -0.865948D-03     
  2     42.1400000             -0.615978D-02     
  3     13.1300000             -0.261519D-01     
  4      4.6280000             -0.570647D-01     
  5      1.6700000             -0.873906D-01     
  6      0.5857000             -0.122990D-01     
  7      0.1311000              0.502085D+00     
P   1
  1      0.0411200              1.0000000        
P   1
  1      0.0093500              1.0000000        
D   1
  1      0.1870000              1.0000000        
D   1
  1      0.0595000              1.0000000        


name: aug-cc-pVDZ
description: VDZ2PD Valence Double Zeta + Polarization + Diffuse
elt: Al
data:
ALUMINUM
S   11
  1  64150.0000000              0.290250D-03     
  2   9617.0000000              0.225064D-02     
  3   2189.0000000              0.116459D-01     
  4    620.5000000              0.467377D-01     
  5    202.7000000              0.146299D+00     
  6     73.1500000              0.330283D+00     
  7     28.5500000              0.415861D+00     
  8     11.7700000              0.189253D+00     
  9      3.3000000              0.115889D-01     
 10      1.1730000             -0.128385D-02     
 11      0.1752000              0.425883D-03     
S   11
  1  64150.0000000             -0.758048D-04     
  2   9617.0000000             -0.581791D-03     
  3   2189.0000000             -0.308113D-02     
  4    620.5000000             -0.123112D-01     
  5    202.7000000             -0.419781D-01     
  6     73.1500000             -0.103371D+00     
  7     28.5500000             -0.196308D+00     
  8     11.7700000             -0.830002D-01     
  9      3.3000000              0.541040D+00     
 10      1.1730000              0.578796D+00     
 11      0.1752000              0.288147D-01     
S   11
  1  64150.0000000              0.175078D-04     
  2   9617.0000000              0.134208D-03     
  3   2189.0000000              0.712442D-03     
  4    620.5000000              0.284330D-02     
  5    202.7000000              0.976842D-02     
  6     73.1500000              0.241850D-01     
  7     28.5500000              0.474993D-01     
  8     11.7700000              0.203621D-01     
  9      3.3000000             -0.158788D+00     
 10      1.1730000             -0.311694D+00     
 11      0.1752000              0.620147D+00     
S   1
  1      0.0647300              1.0000000        
S   1
  1      0.0231000              1.0000000        
P   7
  1    258.8000000              0.406847D-02     
  2     60.8900000              0.306815D-01     
  3     19.1400000              0.129149D+00     
  4      6.8810000              0.320831D+00     
  5      2.5740000              0.453815D+00     
  6      0.9572000              0.275066D+00     
  7      0.2099000              0.190807D-01     
P   7
  1    258.8000000             -0.748053D-03     
  2     60.8900000             -0.545796D-02     
  3     19.1400000             -0.245371D-01     
  4      6.8810000             -0.582138D-01     
  5      2.5740000             -0.983756D-01     
  6      0.9572000             -0.260064D-01     
  7      0.2099000              0.464020D+00     
P   1
  1      0.0598600              1.0000000        
P   1
  1      0.0153000              1.0000000        
D   1
  1      0.1890000              1.0000000        
D   1
  1      0.0535000              1.0000000        


name: aug-cc-pVDZ
description: VDZ2PD Valence Double Zeta + Polarization + Diffuse
elt: Si
data:
SILICON
S   11
  1  78860.0000000              0.270443D-03     
  2  11820.0000000              0.209717D-02     
  3   2692.0000000              0.108506D-01     
  4    763.4000000              0.436754D-01     
  5    249.6000000              0.137653D+00     
  6     90.2800000              0.316644D+00     
  7     35.2900000              0.418581D+00     
  8     14.5100000              0.210212D+00     
  9      4.0530000              0.144952D-01     
 10      1.4820000             -0.203590D-02     
 11      0.2517000              0.624186D-03     
S   11
  1  78860.0000000             -0.723177D-04     
  2  11820.0000000             -0.555116D-03     
  3   2692.0000000             -0.293805D-02     
  4    763.4000000             -0.117687D-01     
  5    249.6000000             -0.402907D-01     
  6     90.2800000             -0.100609D+00     
  7     35.2900000             -0.196528D+00     
  8     14.5100000             -0.102382D+00     
  9      4.0530000              0.527190D+00     
 10      1.4820000              0.593251D+00     
 11      0.2517000              0.332652D-01     
S   11
  1  78860.0000000              0.185113D-04     
  2  11820.0000000              0.142236D-03     
  3   2692.0000000              0.752185D-03     
  4    763.4000000              0.302279D-02     
  5    249.6000000              0.103677D-01     
  6     90.2800000              0.262563D-01     
  7     35.2900000              0.523989D-01     
  8     14.5100000              0.290959D-01     
  9      4.0530000             -0.178003D+00     
 10      1.4820000             -0.346874D+00     
 11      0.2517000              0.623020D+00     
S   1
  1      0.0924300              1.0000000        
S   1
  1      0.0332000              1.0000000        
P   7
  1    315.9000000              0.392656D-02     
  2     74.4200000              0.298811D-01     
  3     23.4800000              0.127212D+00     
  4      8.4880000              0.320943D+00     
  5      3.2170000              0.455429D+00     
  6      1.2290000              0.268563D+00     
  7      0.2964000              0.188336D-01     
P   7
  1    315.9000000             -0.858302D-03     
  2     74.4200000             -0.630328D-02     
  3     23.4800000             -0.288255D-01     
  4      8.4880000             -0.694560D-01     
  5      3.2170000             -0.119493D+00     
  6      1.2290000             -0.199581D-01     
  7      0.2964000              0.510268D+00     
P   1
  1      0.0876800              1.0000000        
P   1
  1      0.0250000              1.0000000        
D   1
  1      0.2750000              1.0000000        
D   1
  1      0.0823000              1.0000000        


name: aug-cc-pVDZ
description: VDZ2PD Valence Double Zeta + Polarization + Diffuse
elt: P
data:
PHOSPHOROUS
S   11
  1  94840.0000000              0.255509D-03     
  2  14220.0000000              0.198193D-02     
  3   3236.0000000              0.102760D-01     
  4    917.1000000              0.414823D-01     
  5    299.5000000              0.131984D+00     
  6    108.1000000              0.308662D+00     
  7     42.1800000              0.420647D+00     
  8     17.2800000              0.222878D+00     
  9      4.8580000              0.164035D-01     
 10      1.8180000             -0.254255D-02     
 11      0.3372000              0.748050D-03     
S   11
  1  94840.0000000             -0.696939D-04     
  2  14220.0000000             -0.535266D-03     
  3   3236.0000000             -0.283709D-02     
  4    917.1000000             -0.113983D-01     
  5    299.5000000             -0.392929D-01     
  6    108.1000000             -0.996364D-01     
  7     42.1800000             -0.197983D+00     
  8     17.2800000             -0.114860D+00     
  9      4.8580000              0.518595D+00     
 10      1.8180000              0.601847D+00     
 11      0.3372000              0.368612D-01     
S   11
  1  94840.0000000              0.191199D-04     
  2  14220.0000000              0.147223D-03     
  3   3236.0000000              0.777912D-03     
  4    917.1000000              0.314546D-02     
  5    299.5000000              0.108200D-01     
  6    108.1000000              0.279957D-01     
  7     42.1800000              0.563978D-01     
  8     17.2800000              0.358190D-01     
  9      4.8580000             -0.193387D+00     
 10      1.8180000             -0.372097D+00     
 11      0.3372000              0.624246D+00     
S   1
  1      0.1232000              1.0000000        
S   1
  1      0.0417000              1.0000000        
P   7
  1    370.5000000              0.395005D-02     
  2     87.3300000              0.302492D-01     
  3     27.5900000              0.129554D+00     
  4     10.0000000              0.327594D+00     
  5      3.8250000              0.456992D+00     
  6      1.4940000              0.253086D+00     
  7      0.3921000              0.168798D-01     
P   7
  1    370.5000000             -0.959832D-03     
  2     87.3300000             -0.711177D-02     
  3     27.5900000             -0.327122D-01     
  4     10.0000000             -0.795784D-01     
  5      3.8250000             -0.135016D+00     
  6      1.4940000             -0.910585D-02     
  7      0.3921000              0.537802D+00     
P   1
  1      0.1186000              1.0000000        
P   1
  1      0.0343000              1.0000000        
D   1
  1      0.3730000              1.0000000        
D   1
  1      0.1130000              1.0000000        


name: aug-cc-pVDZ
description: VDZ2PD Valence Double Zeta + Polarization + Diffuse
elt: S
data:
SULFUR
S   11
  1 110800.0000000              0.247635D-03     
  2  16610.0000000              0.192026D-02     
  3   3781.0000000              0.996192D-02     
  4   1071.0000000              0.402975D-01     
  5    349.8000000              0.128604D+00     
  6    126.3000000              0.303480D+00     
  7     49.2600000              0.421432D+00     
  8     20.1600000              0.230781D+00     
  9      5.7200000              0.178971D-01     
 10      2.1820000             -0.297516D-02     
 11      0.4327000              0.849522D-03     
S   11
  1 110800.0000000             -0.687039D-04     
  2  16610.0000000             -0.527681D-03     
  3   3781.0000000             -0.279671D-02     
  4   1071.0000000             -0.112651D-01     
  5    349.8000000             -0.388834D-01     
  6    126.3000000             -0.995025D-01     
  7     49.2600000             -0.199740D+00     
  8     20.1600000             -0.123360D+00     
  9      5.7200000              0.513194D+00     
 10      2.1820000              0.607120D+00     
 11      0.4327000              0.396753D-01     
S   11
  1 110800.0000000              0.199077D-04     
  2  16610.0000000              0.153483D-03     
  3   3781.0000000              0.809503D-03     
  4   1071.0000000              0.328974D-02     
  5    349.8000000              0.112967D-01     
  6    126.3000000              0.296385D-01     
  7     49.2600000              0.599851D-01     
  8     20.1600000              0.413248D-01     
  9      5.7200000             -0.207474D+00     
 10      2.1820000             -0.392889D+00     
 11      0.4327000              0.632840D+00     
S   1
  1      0.1570000              1.0000000        
S   1
  1      0.0507000              1.0000000        
P   7
  1    399.7000000              0.447541D-02     
  2     94.1900000              0.341708D-01     
  3     29.7500000              0.144250D+00     
  4     10.7700000              0.353928D+00     
  5      4.1190000              0.459085D+00     
  6      1.6250000              0.206383D+00     
  7      0.4726000              0.102141D-01     
P   7
  1    399.7000000             -0.116251D-02     
  2     94.1900000             -0.865664D-02     
  3     29.7500000             -0.390886D-01     
  4     10.7700000             -0.934625D-01     
  5      4.1190000             -0.147994D+00     
  6      1.6250000              0.301904D-01     
  7      0.4726000              0.561573D+00     
P   1
  1      0.1407000              1.0000000        
P   1
  1      0.0399000              1.0000000        
D   1
  1      0.4790000              1.0000000        
D   1
  1      0.1520000              1.0000000        


name: aug-cc-pVDZ
description: VDZ2PD Valence Double Zeta + Polarization + Diffuse
elt: Cl
data:
CHLORINE
S   11
  1 127900.0000000              0.241153D-03     
  2  19170.0000000              0.187095D-02     
  3   4363.0000000              0.970827D-02     
  4   1236.0000000              0.393153D-01     
  5    403.6000000              0.125932D+00     
  6    145.7000000              0.299341D+00     
  7     56.8100000              0.421886D+00     
  8     23.2300000              0.237201D+00     
  9      6.6440000              0.191531D-01     
 10      2.5750000             -0.334792D-02     
 11      0.5371000              0.929883D-03     
S   11
  1 127900.0000000             -0.678922D-04     
  2  19170.0000000             -0.521836D-03     
  3   4363.0000000             -0.276513D-02     
  4   1236.0000000             -0.111537D-01     
  5    403.6000000             -0.385919D-01     
  6    145.7000000             -0.994848D-01     
  7     56.8100000             -0.201392D+00     
  8     23.2300000             -0.130313D+00     
  9      6.6440000              0.509443D+00     
 10      2.5750000              0.610725D+00     
 11      0.5371000              0.421549D-01     
S   11
  1 127900.0000000              0.204986D-04     
  2  19170.0000000              0.158298D-03     
  3   4363.0000000              0.833639D-03     
  4   1236.0000000              0.339880D-02     
  5    403.6000000              0.116738D-01     
  6    145.7000000              0.309622D-01     
  7     56.8100000              0.629533D-01     
  8     23.2300000              0.460257D-01     
  9      6.6440000             -0.219312D+00     
 10      2.5750000             -0.408773D+00     
 11      0.5371000              0.638465D+00     
S   1
  1      0.1938000              1.0000000        
S   1
  1      0.0608000              1.0000000        
P   7
  1    417.6000000              0.525982D-02     
  2     98.3300000              0.398332D-01     
  3     31.0400000              0.164655D+00     
  4     11.1900000              0.387322D+00     
  5      4.2490000              0.457072D+00     
  6      1.6240000              0.151636D+00     
  7      0.5322000              0.181615D-02     
P   7
  1    417.6000000             -0.143570D-02     
  2     98.3300000             -0.107796D-01     
  3     31.0400000             -0.470075D-01     
  4     11.1900000             -0.111030D+00     
  5      4.2490000             -0.153275D+00     
  6      1.6240000              0.894609D-01     
  7      0.5322000              0.579444D+00     
P   1
  1      0.1620000              1.0000000        
P   1
  1      0.0466000              1.0000000        
D   1
  1      0.6000000              1.0000000        
D   1
  1      0.1960000              1.0000000        


name: aug-cc-pVDZ
description: VDZ2PD Valence Double Zeta + Polarization + Diffuse
elt: Ar
data:
ARGON
S   11
  1 145700.0000000              0.236700D-03     
  2  21840.0000000              0.183523D-02     
  3   4972.0000000              0.952860D-02     
  4   1408.0000000              0.386283D-01     
  5    459.7000000              0.124081D+00     
  6    165.9000000              0.296471D+00     
  7     64.6900000              0.422068D+00     
  8     26.4400000              0.241711D+00     
  9      7.6280000              0.200509D-01     
 10      2.9960000             -0.361000D-02     
 11      0.6504000              0.975607D-03     
S   11
  1 145700.0000000             -0.674910D-04     
  2  21840.0000000             -0.518522D-03     
  3   4972.0000000             -0.274825D-02     
  4   1408.0000000             -0.111007D-01     
  5    459.7000000             -0.384820D-01     
  6    165.9000000             -0.997599D-01     
  7     64.6900000             -0.203088D+00     
  8     26.4400000             -0.135608D+00     
  9      7.6280000              0.507195D+00     
 10      2.9960000              0.612898D+00     
 11      0.6504000              0.442968D-01     
S   11
  1 145700.0000000              0.210457D-04     
  2  21840.0000000              0.162565D-03     
  3   4972.0000000              0.855463D-03     
  4   1408.0000000              0.349745D-02     
  5    459.7000000              0.120156D-01     
  6    165.9000000              0.321368D-01     
  7     64.6900000              0.655279D-01     
  8     26.4400000              0.499370D-01     
  9      7.6280000             -0.229769D+00     
 10      2.9960000             -0.421006D+00     
 11      0.6504000              0.642331D+00     
S   1
  1      0.2337000              1.0000000        
S   1
  1      0.0709000              1.0000000        
P   7
  1    453.7000000              0.570555D-02     
  2    106.8000000              0.430460D-01     
  3     33.7300000              0.176591D+00     
  4     12.1300000              0.406863D+00     
  5      4.5940000              0.452549D+00     
  6      1.6780000              0.122801D+00     
  7      0.5909000             -0.445996D-02     
P   7
  1    453.7000000             -0.160655D-02     
  2    106.8000000             -0.121714D-01     
  3     33.7300000             -0.520789D-01     
  4     12.1300000             -0.123737D+00     
  5      4.5940000             -0.151619D+00     
  6      1.6780000              0.142425D+00     
  7      0.5909000              0.584501D+00     
P   1
  1      0.1852000              1.0000000        
P   1
  1      0.0533000              1.0000000        
D   1
  1      0.7380000              1.0000000        
D   1
  1      0.2400000              1.0000000        


name: aug-cc-pVDZ
description: VDZ2PD Valence Double Zeta + Polarization + Diffuse
elt: Sc
data:
SCANDIUM
S   19
  1      2.715278E+06           8.147221E-06     
  2      4.065984E+05           6.334788E-05     
  3      9.253004E+04           3.330384E-04     
  4      2.620792E+04           1.404055E-03     
  5      8.549429E+03           5.081725E-03     
  6      3.085975E+03           1.626926E-02     
  7      1.203172E+03           4.624577E-02     
  8      4.984869E+02           1.137223E-01     
  9      2.167360E+02           2.257636E-01     
 10      9.787476E+01           3.106700E-01     
 11      4.520433E+01           2.191906E-01     
 12      2.021187E+01           7.215879E-02     
 13      9.574751E+00           1.187030E-01     
 14      4.540346E+00           1.220532E-01     
 15      1.995687E+00           2.136795E-02     
 16      9.422150E-01          -5.357246E-04     
 17      4.178450E-01           2.435774E-04     
 18      9.576100E-02          -8.796617E-05     
 19      5.135100E-02           7.878246E-05     
S   19
  1      2.715278E+06          -4.722109E-06     
  2      4.065984E+05          -3.671829E-05     
  3      9.253004E+04          -1.930883E-04     
  4      2.620792E+04          -8.146870E-04     
  5      8.549429E+03          -2.955526E-03     
  6      3.085975E+03          -9.520035E-03     
  7      1.203172E+03          -2.746858E-02     
  8      4.984869E+02          -6.991528E-02     
  9      2.167360E+02          -1.499251E-01     
 10      9.787476E+01          -2.459153E-01     
 11      4.520433E+01          -2.401293E-01     
 12      2.021187E+01           3.567987E-02     
 13      9.574751E+00           4.915023E-01     
 14      4.540346E+00           4.911381E-01     
 15      1.995687E+00           9.120633E-02     
 16      9.422150E-01          -5.356723E-03     
 17      4.178450E-01           8.812836E-04     
 18      9.576100E-02          -7.605536E-04     
 19      5.135100E-02           6.340116E-04     
S   19
  1      2.715278E+06           9.139905E-07     
  2      4.065984E+05           7.108513E-06     
  3      9.253004E+04           3.738126E-05     
  4      2.620792E+04           1.578828E-04     
  5      8.549429E+03           5.737686E-04     
  6      3.085975E+03           1.859244E-03     
  7      1.203172E+03           5.433182E-03     
  8      4.984869E+02           1.425387E-02     
  9      2.167360E+02           3.246144E-02     
 10      9.787476E+01           6.003454E-02     
 11      4.520433E+01           6.916105E-02     
 12      2.021187E+01          -2.113084E-02     
 13      9.574751E+00          -2.666832E-01     
 14      4.540346E+00          -4.367591E-01     
 15      1.995687E+00           6.498243E-02     
 16      9.422150E-01           7.009599E-01     
 17      4.178450E-01           4.515562E-01     
 18      9.576100E-02           3.011910E-02     
 19      5.135100E-02          -1.329480E-02     
S   19
  1      2.715278E+06          -2.201951E-07     
  2      4.065984E+05          -1.711419E-06     
  3      9.253004E+04          -9.008469E-06     
  4      2.620792E+04          -3.799997E-05     
  5      8.549429E+03          -1.383227E-04     
  6      3.085975E+03          -4.473692E-04     
  7      1.203172E+03          -1.310691E-03     
  8      4.984869E+02          -3.429860E-03     
  9      2.167360E+02          -7.847579E-03     
 10      9.787476E+01          -1.447189E-02     
 11      4.520433E+01          -1.690669E-02     
 12      2.021187E+01           5.396115E-03     
 13      9.574751E+00           6.671062E-02     
 14      4.540346E+00           1.178356E-01     
 15      1.995687E+00          -2.738134E-02     
 16      9.422150E-01          -2.260149E-01     
 17      4.178450E-01          -3.073539E-01     
 18      9.576100E-02           2.544054E-01     
 19      5.135100E-02           5.981590E-01     
S   19
  1      2.715278E+06          -3.757238E-07     
  2      4.065984E+05          -2.981907E-06     
  3      9.253004E+04          -1.522586E-05     
  4      2.620792E+04          -6.684686E-05     
  5      8.549429E+03          -2.313129E-04     
  6      3.085975E+03          -7.959729E-04     
  7      1.203172E+03          -2.161961E-03     
  8      4.984869E+02          -6.206459E-03     
  9      2.167360E+02          -1.261905E-02     
 10      9.787476E+01          -2.739459E-02     
 11      4.520433E+01          -2.336516E-02     
 12      2.021187E+01          -5.734627E-03     
 13      9.574751E+00           1.536025E-01     
 14      4.540346E+00           1.447100E-01     
 15      1.995687E+00           9.359699E-02     
 16      9.422150E-01          -8.687730E-01     
 17      4.178450E-01           2.114597E-02     
 18      9.576100E-02           2.275498E+00     
 19      5.135100E-02          -1.190770E+00     
S   1
  1      2.387800E-02           1.0000000        
S   1
  1      1.110000E-02           1.0000000        
P   15
  1      1.059219E+04           4.500000E-05     
  2      2.507533E+03           4.010000E-04     
  3      8.144571E+02           2.302000E-03     
  4      3.115195E+02           1.003700E-02     
  5      1.319617E+02           3.495400E-02     
  6      5.998718E+01           9.790900E-02     
  7      2.866250E+01           2.106800E-01     
  8      1.410851E+01           3.300930E-01     
  9      7.103706E+00           3.310270E-01     
 10      3.609200E+00           1.579600E-01     
 11      1.776070E+00           2.209900E-02     
 12      8.547600E-01          -1.605000E-03     
 13      4.022390E-01          -1.326000E-03     
 14      1.546650E-01          -2.800000E-04     
 15      6.494500E-02           3.400000E-05     
P   15
  1      1.059219E+04          -1.500000E-05     
  2      2.507533E+03          -1.310000E-04     
  3      8.144571E+02          -7.570000E-04     
  4      3.115195E+02          -3.318000E-03     
  5      1.319617E+02          -1.170600E-02     
  6      5.998718E+01          -3.360400E-02     
  7      2.866250E+01          -7.487900E-02     
  8      1.410851E+01          -1.225480E-01     
  9      7.103706E+00          -1.302760E-01     
 10      3.609200E+00           1.459600E-02     
 11      1.776070E+00           3.091840E-01     
 12      8.547600E-01           4.629980E-01     
 13      4.022390E-01           3.049570E-01     
 14      1.546650E-01           5.087800E-02     
 15      6.494500E-02          -4.493000E-03     
P   15
  1      1.059219E+04          -4.000000E-06     
  2      2.507533E+03          -3.200000E-05     
  3      8.144571E+02          -1.850000E-04     
  4      3.115195E+02          -8.080000E-04     
  5      1.319617E+02          -2.870000E-03     
  6      5.998718E+01          -8.207000E-03     
  7      2.866250E+01          -1.847300E-02     
  8      1.410851E+01          -3.010100E-02     
  9      7.103706E+00          -3.294300E-02     
 10      3.609200E+00           7.958000E-03     
 11      1.776070E+00           8.799300E-02     
 12      8.547600E-01           1.523770E-01     
 13      4.022390E-01           9.717000E-02     
 14      1.546650E-01          -2.569380E-01     
 15      6.494500E-02          -5.878150E-01     
P   15
  1      1.059219E+04           4.000000E-06     
  2      2.507533E+03           3.900000E-05     
  3      8.144571E+02           2.210000E-04     
  4      3.115195E+02           9.840000E-04     
  5      1.319617E+02           3.423000E-03     
  6      5.998718E+01           9.993000E-03     
  7      2.866250E+01           2.191600E-02     
  8      1.410851E+01           3.700800E-02     
  9      7.103706E+00           3.779400E-02     
 10      3.609200E+00          -4.379000E-03     
 11      1.776070E+00          -1.101640E-01     
 12      8.547600E-01          -1.610170E-01     
 13      4.022390E-01          -1.824820E-01     
 14      1.546650E-01           3.886110E-01     
 15      6.494500E-02           6.911000E-01     
P   1
  1      2.635900E-02           1.0000000        
P   1
  1      1.066000E-02           1.0000000        
D   7
  1      5.051380E+01           4.266000E-03     
  2      1.474050E+01           2.770800E-02     
  3      5.195000E+00           1.000010E-01     
  4      2.028460E+00           2.315810E-01     
  5      8.040860E-01           3.460330E-01     
  6      3.076890E-01           3.733740E-01     
  7      1.113920E-01           2.642880E-01     
D   7
  1      5.051380E+01          -4.389000E-03     
  2      1.474050E+01          -2.836300E-02     
  3      5.195000E+00          -1.051370E-01     
  4      2.028460E+00          -2.348540E-01     
  5      8.040860E-01          -3.246090E-01     
  6      3.076890E-01          -6.428900E-02     
  7      1.113920E-01           6.017490E-01     
D   1
  1      3.735200E-02           1.0000000        
D   1
  1      1.244000E-02           1.0000000        
F   2
  1      7.126000E-01           3.617450E-01     
  2      1.636000E-01           8.218680E-01     
F   1
  1      4.063000E-02           1.0000000        


name: aug-cc-pVDZ
description: VDZ2PD Valence Double Zeta + Polarization + Diffuse
elt: Ti
data:
TITANIUM
S   19
  1      3.014643E+06           8.060782E-06     
  2      4.514329E+05           6.267518E-05     
  3      1.027338E+05           3.295006E-04     
  4      2.909817E+04           1.389203E-03     
  5      9.492330E+03           5.028469E-03     
  6      3.426346E+03           1.610419E-02     
  7      1.335896E+03           4.581232E-02     
  8      5.535026E+02           1.128613E-01     
  9      2.406925E+02           2.248193E-01     
 10      1.087293E+02           3.114571E-01     
 11      5.026457E+01           2.224995E-01     
 12      2.258004E+01           7.293128E-02     
 13      1.071432E+01           1.160683E-01     
 14      5.093546E+00           1.194774E-01     
 15      2.244183E+00           2.097868E-02     
 16      1.059570E+00          -5.091715E-04     
 17      4.688490E-01           2.217859E-04     
 18      1.061430E-01          -7.636896E-05     
 19      5.526200E-02           7.719539E-05     
S   19
  1      3.014643E+06          -4.630486E-06     
  2      4.514329E+05          -3.600451E-05     
  3      1.027338E+05          -1.893420E-04     
  4      2.909817E+04          -7.988781E-04     
  5      9.492330E+03          -2.898698E-03     
  6      3.426346E+03          -9.339701E-03     
  7      1.335896E+03          -2.697464E-02     
  8      5.535026E+02          -6.878913E-02     
  9      2.406925E+02          -1.481037E-01     
 10      1.087293E+02          -2.445253E-01     
 11      5.026457E+01          -2.419916E-01     
 12      2.258004E+01           3.183790E-02     
 13      1.071432E+01           4.932686E-01     
 14      5.093546E+00           4.939655E-01     
 15      2.244183E+00           9.196313E-02     
 16      1.059570E+00          -5.316992E-03     
 17      4.688490E-01           8.085624E-04     
 18      1.061430E-01          -6.918459E-04     
 19      5.526200E-02           6.086512E-04     
S   19
  1      3.014643E+06           9.230559E-07     
  2      4.514329E+05           7.178974E-06     
  3      1.027338E+05           3.775134E-05     
  4      2.909817E+04           1.594532E-04     
  5      9.492330E+03           5.795150E-04     
  6      3.426346E+03           1.878414E-03     
  7      1.335896E+03           5.492747E-03     
  8      5.535026E+02           1.443297E-02     
  9      2.406925E+02           3.296408E-02     
 10      1.087293E+02           6.125493E-02     
 11      5.026457E+01           7.134113E-02     
 12      2.258004E+01          -1.973150E-02     
 13      1.071432E+01          -2.741869E-01     
 14      5.093546E+00          -4.440977E-01     
 15      2.244183E+00           7.776084E-02     
 16      1.059570E+00           7.068444E-01     
 17      4.688490E-01           4.413892E-01     
 18      1.061430E-01           2.799769E-02     
 19      5.526200E-02          -1.210790E-02     
S   19
  1      3.014643E+06          -2.180323E-07     
  2      4.514329E+05          -1.694860E-06     
  3      1.027338E+05          -8.919208E-06     
  4      2.909817E+04          -3.763633E-05     
  5      9.492330E+03          -1.369575E-04     
  6      3.426346E+03          -4.432894E-04     
  7      1.335896E+03          -1.298868E-03     
  8      5.535026E+02          -3.406752E-03     
  9      2.406925E+02          -7.810829E-03     
 10      1.087293E+02          -1.449245E-02     
 11      5.026457E+01          -1.708136E-02     
 12      2.258004E+01           4.897666E-03     
 13      1.071432E+01           6.753108E-02     
 14      5.093546E+00           1.173318E-01     
 15      2.244183E+00          -2.985025E-02     
 16      1.059570E+00          -2.277634E-01     
 17      4.688490E-01          -2.928115E-01     
 18      1.061430E-01           2.665300E-01     
 19      5.526200E-02           5.912406E-01     
S   19
  1      3.014643E+06          -3.975126E-07     
  2      4.514329E+05          -3.161080E-06     
  3      1.027338E+05          -1.609375E-05     
  4      2.909817E+04          -7.092947E-05     
  5      9.492330E+03          -2.442710E-04     
  6      3.426346E+03          -8.457892E-04     
  7      1.335896E+03          -2.282208E-03     
  8      5.535026E+02          -6.619873E-03     
  9      2.406925E+02          -1.335024E-02     
 10      1.087293E+02          -2.955830E-02     
 11      5.026457E+01          -2.477039E-02     
 12      2.258004E+01          -8.414624E-03     
 13      1.071432E+01           1.693855E-01     
 14      5.093546E+00           1.500787E-01     
 15      2.244183E+00           9.787777E-02     
 16      1.059570E+00          -9.653608E-01     
 17      4.688490E-01           1.489721E-01     
 18      1.061430E-01           2.191179E+00     
 19      5.526200E-02          -1.243325E+00     
S   1
  1      2.546500E-02           1.0000000        
S   1
  1      1.173000E-02           1.0000000        
P   15
  1      1.191203E+04           4.400000E-05     
  2      2.819947E+03           3.910000E-04     
  3      9.159479E+02           2.248000E-03     
  4      3.503842E+02           9.823000E-03     
  5      1.484825E+02           3.433800E-02     
  6      6.753944E+01           9.666600E-02     
  7      3.230332E+01           2.094170E-01     
  8      1.592786E+01           3.301890E-01     
  9      8.038035E+00           3.319360E-01     
 10      4.093916E+00           1.584880E-01     
 11      2.022390E+00           2.231000E-02     
 12      9.761020E-01          -1.566000E-03     
 13      4.595950E-01          -1.324000E-03     
 14      1.771520E-01          -2.710000E-04     
 15      7.351700E-02           3.200000E-05     
P   15
  1      1.191203E+04          -1.500000E-05     
  2      2.819947E+03          -1.310000E-04     
  3      9.159479E+02          -7.550000E-04     
  4      3.503842E+02          -3.319000E-03     
  5      1.484825E+02          -1.175000E-02     
  6      6.753944E+01          -3.392200E-02     
  7      3.230332E+01          -7.616400E-02     
  8      1.592786E+01          -1.257020E-01     
  9      8.038035E+00          -1.330980E-01     
 10      4.093916E+00           1.740600E-02     
 11      2.022390E+00           3.151650E-01     
 12      9.761020E-01           4.618140E-01     
 13      4.595950E-01           2.998560E-01     
 14      1.771520E-01           5.000000E-02     
 15      7.351700E-02          -4.230000E-03     
P   15
  1      1.191203E+04           4.000000E-06     
  2      2.819947E+03           3.100000E-05     
  3      9.159479E+02           1.820000E-04     
  4      3.503842E+02           7.950000E-04     
  5      1.484825E+02           2.833000E-03     
  6      6.753944E+01           8.154000E-03     
  7      3.230332E+01           1.847200E-02     
  8      1.592786E+01           3.040000E-02     
  9      8.038035E+00           3.304700E-02     
 10      4.093916E+00          -8.251000E-03     
 11      2.022390E+00          -8.855400E-02     
 12      9.761020E-01          -1.496120E-01     
 13      4.595950E-01          -9.422700E-02     
 14      1.771520E-01           2.508460E-01     
 15      7.351700E-02           5.866430E-01     
P   15
  1      1.191203E+04           4.000000E-06     
  2      2.819947E+03           3.900000E-05     
  3      9.159479E+02           2.230000E-04     
  4      3.503842E+02           9.920000E-04     
  5      1.484825E+02           3.476000E-03     
  6      6.753944E+01           1.017200E-02     
  7      3.230332E+01           2.257600E-02     
  8      1.592786E+01           3.823800E-02     
  9      8.038035E+00           3.933700E-02     
 10      4.093916E+00          -6.106000E-03     
 11      2.022390E+00          -1.129620E-01     
 12      9.761020E-01          -1.681140E-01     
 13      4.595950E-01          -1.659320E-01     
 14      1.771520E-01           3.914030E-01     
 15      7.351700E-02           6.818400E-01     
P   1
  1      2.940100E-02           1.0000000        
P   1
  1      1.176000E-02           1.0000000        
D   7
  1      6.401300E+01           3.887000E-03     
  2      1.881790E+01           2.639900E-02     
  3      6.728700E+00           9.751100E-02     
  4      2.664130E+00           2.328480E-01     
  5      1.078680E+00           3.531520E-01     
  6      4.232090E-01           3.721860E-01     
  7      1.559990E-01           2.476720E-01     
D   7
  1      6.401300E+01          -3.970000E-03     
  2      1.881790E+01          -2.687300E-02     
  3      6.728700E+00          -1.022750E-01     
  4      2.664130E+00          -2.377280E-01     
  5      1.078680E+00          -3.121140E-01     
  6      4.232090E-01          -4.237800E-02     
  7      1.559990E-01           5.886580E-01     
D   1
  1      5.188400E-02           1.0000000        
D   1
  1      1.726000E-02           1.0000000        
F   2
  1      1.227400E+00           3.581580E-01     
  2      2.788000E-01           8.257940E-01     
F   1
  1      8.266000E-02           1.0000000        


name: aug-cc-pVDZ
description: VDZ2PD Valence Double Zeta + Polarization + Diffuse
elt: V
data:
VANADIUM
S   19
  1      3.321857E+06           8.039999E-06     
  2      4.974356E+05           6.251402E-05     
  3      1.132027E+05           3.286553E-04     
  4      3.206333E+04           1.385697E-03     
  5      1.045962E+04           5.016217E-03     
  6      3.775506E+03           1.606931E-02     
  7      1.472040E+03           4.574242E-02     
  8      6.099331E+02           1.128544E-01     
  9      2.652634E+02           2.254344E-01     
 10      1.198607E+02           3.140461E-01     
 11      5.544891E+01           2.267819E-01     
 12      2.498372E+01           7.334069E-02     
 13      1.188056E+01           1.102474E-01     
 14      5.660311E+00           1.131358E-01     
 15      2.495703E+00           1.971295E-02     
 16      1.177866E+00          -4.719088E-04     
 17      5.200440E-01           1.861606E-04     
 18      1.159650E-01          -6.208598E-05     
 19      5.893800E-02           7.295314E-05     
S   19
  1      3.321857E+06          -4.503003E-06     
  2      4.974356E+05          -3.501295E-05     
  3      1.132027E+05          -1.841339E-04     
  4      3.206333E+04          -7.769216E-04     
  5      1.045962E+04          -2.819505E-03     
  6      3.775506E+03          -9.087486E-03     
  7      1.472040E+03          -2.627134E-02     
  8      6.099331E+02          -6.712726E-02     
  9      2.652634E+02          -1.451130E-01     
 10      1.198607E+02          -2.412483E-01     
 11      5.544891E+01          -2.416314E-01     
 12      2.498372E+01           3.067362E-02     
 13      1.188056E+01           4.970415E-01     
 14      5.660311E+00           4.958875E-01     
 15      2.495703E+00           9.181868E-02     
 16      1.177866E+00          -5.392514E-03     
 17      5.200440E-01           7.102380E-04     
 18      1.159650E-01          -6.363128E-04     
 19      5.893800E-02           5.979932E-04     
S   19
  1      3.321857E+06           9.320648E-07     
  2      4.974356E+05           7.249306E-06     
  3      1.132027E+05           3.811967E-05     
  4      3.206333E+04           1.610238E-04     
  5      1.045962E+04           5.852210E-04     
  6      3.775506E+03           1.897502E-03     
  7      1.472040E+03           5.550909E-03     
  8      6.099331E+02           1.460584E-02     
  9      2.652634E+02           3.342974E-02     
 10      1.198607E+02           6.235722E-02     
 11      5.544891E+01           7.312435E-02     
 12      2.498372E+01          -1.911472E-02     
 13      1.188056E+01          -2.817249E-01     
 14      5.660311E+00          -4.488151E-01     
 15      2.495703E+00           9.202696E-02     
 16      1.177866E+00           7.110117E-01     
 17      5.200440E-01           4.309274E-01     
 18      1.159650E-01           2.604589E-02     
 19      5.893800E-02          -1.101049E-02     
S   19
  1      3.321857E+06          -2.158944E-07     
  2      4.974356E+05          -1.678519E-06     
  3      1.132027E+05          -8.831213E-06     
  4      3.206333E+04          -3.727769E-05     
  5      1.045962E+04          -1.356099E-04     
  6      3.775506E+03          -4.392351E-04     
  7      1.472040E+03          -1.286948E-03     
  8      6.099331E+02          -3.382149E-03     
  9      2.652634E+02          -7.765646E-03     
 10      1.198607E+02          -1.447985E-02     
 11      5.544891E+01          -1.715502E-02     
 12      2.498372E+01           4.610101E-03     
 13      1.188056E+01           6.827831E-02     
 14      5.660311E+00           1.161368E-01     
 15      2.495703E+00          -3.277049E-02     
 16      1.177866E+00          -2.280000E-01     
 17      5.200440E-01          -2.793991E-01     
 18      1.159650E-01           2.771165E-01     
 19      5.893800E-02           5.852999E-01     
S   19
  1      3.321857E+06          -4.093416E-07     
  2      4.974356E+05          -3.258956E-06     
  3      1.132027E+05          -1.656390E-05     
  4      3.206333E+04          -7.316689E-05     
  5      1.045962E+04          -2.512784E-04     
  6      3.775506E+03          -8.732657E-04     
  7      1.472040E+03          -2.347654E-03     
  8      6.099331E+02          -6.853150E-03     
  9      2.652634E+02          -1.376420E-02     
 10      1.198607E+02          -3.084679E-02     
 11      5.544891E+01          -2.562208E-02     
 12      2.498372E+01          -1.005123E-02     
 13      1.188056E+01           1.795330E-01     
 14      5.660311E+00           1.522400E-01     
 15      2.495703E+00           9.483887E-02     
 16      1.177866E+00          -1.014876E+00     
 17      5.200440E-01           2.308810E-01     
 18      1.159650E-01           2.113321E+00     
 19      5.893800E-02          -1.253048E+00     
S   1
  1      2.694600E-02           1.0000000        
S   1
  1      1.232000E-02           1.0000000        
P   15
  1      1.327320E+04           4.300000E-05     
  2      3.142126E+03           3.840000E-04     
  3      1.020588E+03           2.210000E-03     
  4      3.904407E+02           9.678000E-03     
  5      1.655043E+02           3.393600E-02     
  6      7.532006E+01           9.591700E-02     
  7      3.605503E+01           2.088530E-01     
  8      1.780436E+01           3.306600E-01     
  9      9.002929E+00           3.323120E-01     
 10      4.594544E+00           1.581880E-01     
 11      2.276760E+00           2.225200E-02     
 12      1.101178E+00          -1.565000E-03     
 13      5.186380E-01          -1.353000E-03     
 14      2.005650E-01          -2.650000E-04     
 15      8.129100E-02           2.900000E-05     
P   15
  1      1.327320E+04          -1.500000E-05     
  2      3.142126E+03          -1.310000E-04     
  3      1.020588E+03          -7.550000E-04     
  4      3.904407E+02          -3.325000E-03     
  5      1.655043E+02          -1.181100E-02     
  6      7.532006E+01          -3.425600E-02     
  7      3.605503E+01          -7.736300E-02     
  8      1.780436E+01          -1.284560E-01     
  9      9.002929E+00          -1.350780E-01     
 10      4.594544E+00           2.083800E-02     
 11      2.276760E+00           3.204990E-01     
 12      1.101178E+00           4.602600E-01     
 13      5.186380E-01           2.953460E-01     
 14      2.005650E-01           4.904600E-02     
 15      8.129100E-02          -3.824000E-03     
P   15
  1      1.327320E+04           4.000000E-06     
  2      3.142126E+03           3.200000E-05     
  3      1.020588E+03           1.830000E-04     
  4      3.904407E+02           8.020000E-04     
  5      1.655043E+02           2.862000E-03     
  6      7.532006E+01           8.287000E-03     
  7      3.605503E+01           1.887000E-02     
  8      1.780436E+01           3.130700E-02     
  9      9.002929E+00           3.366000E-02     
 10      4.594544E+00          -9.479000E-03     
 11      2.276760E+00          -9.231300E-02     
 12      1.101178E+00          -1.489890E-01     
 13      5.186380E-01          -8.364400E-02     
 14      2.005650E-01           2.493390E-01     
 15      8.129100E-02           5.805150E-01     
P   15
  1      1.327320E+04           4.000000E-06     
  2      3.142126E+03           3.900000E-05     
  3      1.020588E+03           2.230000E-04     
  4      3.904407E+02           9.960000E-04     
  5      1.655043E+02           3.498000E-03     
  6      7.532006E+01           1.029600E-02     
  7      3.605503E+01           2.296200E-02     
  8      1.780436E+01           3.920800E-02     
  9      9.002929E+00           3.994300E-02     
 10      4.594544E+00          -7.121000E-03     
 11      2.276760E+00          -1.162250E-01     
 12      1.101178E+00          -1.694960E-01     
 13      5.186380E-01          -1.553740E-01     
 14      2.005650E-01           3.950220E-01     
 15      8.129100E-02           6.789080E-01     
P   1
  1      3.179500E-02           1.0000000        
P   1
  1      1.244000E-02           1.0000000        
D   7
  1      7.761150E+01           3.595000E-03     
  2      2.291590E+01           2.521000E-02     
  3      8.279540E+00           9.478600E-02     
  4      3.309930E+00           2.303630E-01     
  5      1.358630E+00           3.528940E-01     
  6      5.413500E-01           3.704140E-01     
  7      2.023560E-01           2.457180E-01     
D   7
  1      7.761150E+01          -3.818000E-03     
  2      2.291590E+01          -2.671700E-02     
  3      8.279540E+00          -1.036900E-01     
  4      3.309930E+00          -2.476890E-01     
  5      1.358630E+00          -3.115230E-01     
  6      5.413500E-01          -2.282700E-02     
  7      2.023560E-01           5.697260E-01     
D   1
  1      6.756800E-02           1.0000000        
D   1
  1      2.256000E-02           1.0000000        
F   2
  1      1.748800E+00           3.900680E-01     
  2      4.057000E-01           8.008410E-01     
F   1
  1      1.311200E-01           1.0000000        


name: aug-cc-pVDZ
description: VDZ2PD Valence Double Zeta + Polarization + Diffuse
elt: Cr
data:
CHROMIUM
S   19
  1      6.177194E+06           4.128667E-06     
  2      9.249295E+05           3.210767E-05     
  3      2.104865E+05           1.688416E-04     
  4      5.962005E+04           7.128520E-04     
  5      1.945076E+04           2.589325E-03     
  6      7.022056E+03           8.377350E-03     
  7      2.738763E+03           2.441725E-02     
  8      1.135814E+03           6.365135E-02     
  9      4.950923E+02           1.427618E-01     
 10      2.247487E+02           2.541275E-01     
 11      1.053836E+02           3.009512E-01     
 12      5.019359E+01           1.766513E-01     
 13      2.224957E+01           6.936709E-02     
 14      1.098265E+01           1.179579E-01     
 15      5.383665E+00           8.916187E-02     
 16      2.343685E+00           1.103630E-02     
 17      1.105202E+00          -3.546048E-04     
 18      4.878480E-01           1.057311E-04     
 19      8.959900E-02           1.114640E-05     
S   19
  1      6.177194E+06          -2.301772E-06     
  2      9.249295E+05          -1.789536E-05     
  3      2.104865E+05          -9.416174E-05     
  4      5.962005E+04          -3.975074E-04     
  5      1.945076E+04          -1.447025E-03     
  6      7.022056E+03          -4.694622E-03     
  7      2.738763E+03          -1.382387E-02     
  8      1.135814E+03          -3.674643E-02     
  9      4.950923E+02          -8.647185E-02     
 10      2.247487E+02          -1.696735E-01     
 11      1.053836E+02          -2.507089E-01     
 12      5.019359E+01          -1.961156E-01     
 13      2.224957E+01           1.457244E-01     
 14      1.098265E+01           5.466706E-01     
 15      5.383665E+00           3.979434E-01     
 16      2.343685E+00           5.277007E-02     
 17      1.105202E+00          -4.374537E-03     
 18      4.878480E-01           3.204035E-04     
 19      8.959900E-02          -5.142077E-05     
S   19
  1      6.177194E+06           4.862957E-07     
  2      9.249295E+05           3.776645E-06     
  3      2.104865E+05           1.990664E-05     
  4      5.962005E+04           8.389164E-05     
  5      1.945076E+04           3.065706E-04     
  6      7.022056E+03           9.944107E-04     
  7      2.738763E+03           2.961959E-03     
  8      1.135814E+03           7.969473E-03     
  9      4.950923E+02           1.955017E-02     
 10      2.247487E+02           4.085035E-02     
 11      1.053836E+02           6.929003E-02     
 12      5.019359E+01           6.146984E-02     
 13      2.224957E+01          -6.981302E-02     
 14      1.098265E+01          -3.517597E-01     
 15      5.383665E+00          -3.828629E-01     
 16      2.343685E+00           2.676401E-01     
 17      1.105202E+00           7.175950E-01     
 18      4.878480E-01           3.020814E-01     
 19      8.959900E-02           7.749514E-03     
S   19
  1      6.177194E+06          -1.102451E-07     
  2      9.249295E+05          -8.530233E-07     
  3      2.104865E+05          -4.520358E-06     
  4      5.962005E+04          -1.891612E-05     
  5      1.945076E+04          -6.974344E-05     
  6      7.022056E+03          -2.237867E-04     
  7      2.738763E+03          -6.754503E-04     
  8      1.135814E+03          -1.789346E-03     
  9      4.950923E+02          -4.477858E-03     
 10      2.247487E+02          -9.140144E-03     
 11      1.053836E+02          -1.610562E-02     
 12      5.019359E+01          -1.334870E-02     
 13      2.224957E+01           1.426027E-02     
 14      1.098265E+01           8.931690E-02     
 15      5.383665E+00           8.885279E-02     
 16      2.343685E+00          -6.368776E-02     
 17      1.105202E+00          -2.783262E-01     
 18      4.878480E-01          -1.830071E-01     
 19      8.959900E-02           6.790937E-01     
S   19
  1      6.177194E+06           2.179893E-07     
  2      9.249295E+05           1.612940E-06     
  3      2.104865E+05           9.111842E-06     
  4      5.962005E+04           3.500645E-05     
  5      1.945076E+04           1.435315E-04     
  6      7.022056E+03           4.035896E-04     
  7      2.738763E+03           1.425177E-03     
  8      1.135814E+03           3.114009E-03     
  9      4.950923E+02           9.814449E-03     
 10      2.247487E+02           1.474698E-02     
 11      1.053836E+02           3.911512E-02     
 12      5.019359E+01           9.170888E-03     
 13      2.224957E+01           1.559878E-02     
 14      1.098265E+01          -2.816844E-01     
 15      5.383665E+00          -6.895261E-03     
 16      2.343685E+00          -1.769781E-01     
 17      1.105202E+00           1.443061E+00     
 18      4.878480E-01          -1.029318E+00     
 19      8.959900E-02          -1.307667E+00     
S   1
  1      3.342300E-02           1.0000000        
S   1
  1      1.247000E-02           1.0000000        
P   15
  1      1.445420E+04           4.400000E-05     
  2      3.421676E+03           3.890000E-04     
  3      1.111387E+03           2.241000E-03     
  4      4.251918E+02           9.821000E-03     
  5      1.802623E+02           3.447100E-02     
  6      8.206117E+01           9.746000E-02     
  7      3.929726E+01           2.119850E-01     
  8      1.941959E+01           3.339900E-01     
  9      9.828899E+00           3.301370E-01     
 10      5.016810E+00           1.522270E-01     
 11      2.487091E+00           2.042500E-02     
 12      1.198780E+00          -1.360000E-03     
 13      5.586950E-01          -1.195000E-03     
 14      2.089240E-01          -1.970000E-04     
 15      8.460800E-02           2.300000E-05     
P   15
  1      1.445420E+04          -1.500000E-05     
  2      3.421676E+03          -1.350000E-04     
  3      1.111387E+03          -7.770000E-04     
  4      4.251918E+02          -3.427000E-03     
  5      1.802623E+02          -1.218900E-02     
  6      8.206117E+01          -3.538800E-02     
  7      3.929726E+01          -7.991500E-02     
  8      1.941959E+01          -1.323350E-01     
  9      9.828899E+00          -1.354010E-01     
 10      5.016810E+00           3.200800E-02     
 11      2.487091E+00           3.338490E-01     
 12      1.198780E+00           4.617730E-01     
 13      5.586950E-01           2.812900E-01     
 14      2.089240E-01           4.184300E-02     
 15      8.460800E-02          -4.002000E-03     
P   15
  1      1.445420E+04           4.000000E-06     
  2      3.421676E+03           3.200000E-05     
  3      1.111387E+03           1.850000E-04     
  4      4.251918E+02           8.100000E-04     
  5      1.802623E+02           2.906000E-03     
  6      8.206117E+01           8.391000E-03     
  7      3.929726E+01           1.919300E-02     
  8      1.941959E+01           3.156400E-02     
  9      9.828899E+00           3.341700E-02     
 10      5.016810E+00          -1.290700E-02     
 11      2.487091E+00          -9.365900E-02     
 12      1.198780E+00          -1.499770E-01     
 13      5.586950E-01          -6.723400E-02     
 14      2.089240E-01           2.707590E-01     
 15      8.460800E-02           5.758070E-01     
P   15
  1      1.445420E+04           4.000000E-06     
  2      3.421676E+03           4.000000E-05     
  3      1.111387E+03           2.290000E-04     
  4      4.251918E+02           1.019000E-03     
  5      1.802623E+02           3.602000E-03     
  6      8.206117E+01           1.055000E-02     
  7      3.929726E+01           2.370200E-02     
  8      1.941959E+01           3.998800E-02     
  9      9.828899E+00           4.043700E-02     
 10      5.016810E+00          -1.207400E-02     
 11      2.487091E+00          -1.189390E-01     
 12      1.198780E+00          -1.781000E-01     
 13      5.586950E-01          -1.238650E-01     
 14      2.089240E-01           4.297220E-01     
 15      8.460800E-02           6.507860E-01     
P   1
  1      3.325800E-02           1.0000000        
P   1
  1      1.307000E-02           1.0000000        
D   7
  1      8.857680E+01           3.621000E-03     
  2      2.620450E+01           2.576600E-02     
  3      9.517470E+00           9.755600E-02     
  4      3.822480E+00           2.363120E-01     
  5      1.575120E+00           3.582860E-01     
  6      6.289280E-01           3.685430E-01     
  7      2.344240E-01           2.354940E-01     
D   7
  1      8.857680E+01          -4.122000E-03     
  2      2.620450E+01          -2.930700E-02     
  3      9.517470E+00          -1.150620E-01     
  4      3.822480E+00          -2.730680E-01     
  5      1.575120E+00          -3.144230E-01     
  6      6.289280E-01           4.209700E-02     
  7      2.344240E-01           5.914030E-01     
D   1
  1      7.681500E-02           1.0000000        
D   1
  1      2.517000E-02           1.0000000        
F   2
  1      2.221100E+00           4.235450E-01     
  2      5.231000E-01           7.741140E-01     
F   1
  1      1.763600E-01           1.0000000        


name: aug-cc-pVDZ
description: VDZ2PD Valence Double Zeta + Polarization + Diffuse
elt: Mn
data:
MANGANESE
S   19
  1      3.960805E+06           8.242127E-06     
  2      5.931155E+05           6.408587E-05     
  3      1.349768E+05           3.369253E-04     
  4      3.823067E+04           1.420648E-03     
  5      1.247154E+04           5.143683E-03     
  6      4.501743E+03           1.648569E-02     
  7      1.755212E+03           4.698560E-02     
  8      7.273039E+02           1.162437E-01     
  9      3.163678E+02           2.335277E-01     
 10      1.430098E+02           3.292837E-01     
 11      6.621805E+01           2.440304E-01     
 12      2.991896E+01           7.219806E-02     
 13      1.430318E+01           7.687806E-02     
 14      6.839451E+00           7.852235E-02     
 15      3.012374E+00           1.294109E-02     
 16      1.418808E+00          -3.784873E-04     
 17      6.236240E-01          -2.503203E-05     
 18      1.340980E-01          -2.421517E-05     
 19      6.554800E-02           3.462071E-05     
S   19
  1      3.960805E+06          -3.936095E-06     
  2      5.931155E+05          -3.060481E-05     
  3      1.349768E+05          -1.609626E-04     
  4      3.823067E+04          -6.792348E-04     
  5      1.247154E+04          -2.466182E-03     
  6      4.501743E+03          -7.957629E-03     
  7      1.755212E+03          -2.307248E-02     
  8      7.273039E+02          -5.932956E-02     
  9      3.163678E+02          -1.299451E-01     
 10      1.430098E+02          -2.212352E-01     
 11      6.621805E+01          -2.292550E-01     
 12      2.991896E+01           3.580733E-02     
 13      1.430318E+01           5.107602E-01     
 14      6.839451E+00           5.008307E-01     
 15      3.012374E+00           9.011830E-02     
 16      1.418808E+00          -6.909909E-03     
 17      6.236240E-01          -1.912925E-04     
 18      1.340980E-01          -6.032312E-04     
 19      6.554800E-02           5.621608E-04     
S   19
  1      3.960805E+06           9.462709E-07     
  2      5.931155E+05           7.360584E-06     
  3      1.349768E+05           3.869935E-05     
  4      3.823067E+04           1.635110E-04     
  5      1.247154E+04           5.941775E-04     
  6      4.501743E+03           1.927737E-03     
  7      1.755212E+03           5.641731E-03     
  8      7.273039E+02           1.487848E-02     
  9      3.163678E+02           3.414783E-02     
 10      1.430098E+02           6.405794E-02     
 11      6.621805E+01           7.557659E-02     
 12      2.991896E+01          -1.946070E-02     
 13      1.430318E+01          -2.957874E-01     
 14      6.839451E+00          -4.521170E-01     
 15      3.012374E+00           1.224531E-01     
 16      1.418808E+00           7.169756E-01     
 17      6.236240E-01           4.092712E-01     
 18      1.340980E-01           2.221969E-02     
 19      6.554800E-02          -9.011202E-03     
S   19
  1      3.960805E+06          -2.095391E-07     
  2      5.931155E+05          -1.629439E-06     
  3      1.349768E+05          -8.570592E-06     
  4      3.823067E+04          -3.619272E-05     
  5      1.247154E+04          -1.316146E-04     
  6      4.501743E+03          -4.266810E-04     
  7      1.755212E+03          -1.250270E-03     
  8      7.273039E+02          -3.294665E-03     
  9      3.163678E+02          -7.581860E-03     
 10      1.430098E+02          -1.422864E-02     
 11      6.621805E+01          -1.693796E-02     
 12      2.991896E+01           4.454298E-03     
 13      1.430318E+01           6.867042E-02     
 14      6.839451E+00           1.113335E-01     
 15      3.012374E+00          -3.900820E-02     
 16      1.418808E+00          -2.215755E-01     
 17      6.236240E-01          -2.544359E-01     
 18      1.340980E-01           2.865866E-01     
 19      6.554800E-02           5.755741E-01     
S   19
  1      3.960805E+06          -4.121231E-07     
  2      5.931155E+05          -3.282099E-06     
  3      1.349768E+05          -1.667433E-05     
  4      3.823067E+04          -7.369999E-05     
  5      1.247154E+04          -2.529495E-04     
  6      4.501743E+03          -8.801425E-04     
  7      1.755212E+03          -2.365482E-03     
  8      7.273039E+02          -6.926354E-03     
  9      3.163678E+02          -1.393851E-02     
 10      1.430098E+02          -3.143840E-02     
 11      6.621805E+01          -2.625749E-02     
 12      2.991896E+01          -1.048313E-02     
 13      1.430318E+01           1.856472E-01     
 14      6.839451E+00           1.524839E-01     
 15      3.012374E+00           7.411368E-02     
 16      1.418808E+00          -1.018097E+00     
 17      6.236240E-01           2.980372E-01     
 18      1.340980E-01           1.971989E+00     
 19      6.554800E-02          -1.179253E+00     
S   1
  1      2.958400E-02           1.0000000        
S   1
  1      1.335000E-02           1.0000000        
P   15
  1      1.620586E+04           4.200000E-05     
  2      3.836274E+03           3.730000E-04     
  3      1.246048E+03           2.149000E-03     
  4      4.767535E+02           9.445000E-03     
  5      2.021895E+02           3.329700E-02     
  6      9.209487E+01           9.475900E-02     
  7      4.414720E+01           2.081440E-01     
  8      2.185468E+01           3.318050E-01     
  9      1.108596E+01           3.331750E-01     
 10      5.674108E+00           1.576010E-01     
 11      2.823170E+00           2.144500E-02     
 12      1.368621E+00          -2.558000E-03     
 13      6.444310E-01          -2.027000E-03     
 14      2.483820E-01          -3.600000E-04     
 15      9.725500E-02           3.400000E-05     
P   15
  1      1.620586E+04          -1.500000E-05     
  2      3.836274E+03          -1.290000E-04     
  3      1.246048E+03          -7.480000E-04     
  4      4.767535E+02          -3.308000E-03     
  5      2.021895E+02          -1.181100E-02     
  6      9.209487E+01          -3.453300E-02     
  7      4.414720E+01          -7.878500E-02     
  8      2.185468E+01          -1.321830E-01     
  9      1.108596E+01          -1.371950E-01     
 10      5.674108E+00           2.707500E-02     
 11      2.823170E+00           3.288910E-01     
 12      1.368621E+00           4.572800E-01     
 13      6.444310E-01           2.889080E-01     
 14      2.483820E-01           4.743300E-02     
 15      9.725500E-02          -3.522000E-03     
P   15
  1      1.620586E+04           3.000000E-06     
  2      3.836274E+03           3.000000E-05     
  3      1.246048E+03           1.720000E-04     
  4      4.767535E+02           7.620000E-04     
  5      2.021895E+02           2.726000E-03     
  6      9.209487E+01           7.976000E-03     
  7      4.414720E+01           1.828700E-02     
  8      2.185468E+01           3.077600E-02     
  9      1.108596E+01           3.237300E-02     
 10      5.674108E+00          -9.978000E-03     
 11      2.823170E+00          -9.052900E-02     
 12      1.368621E+00          -1.380040E-01     
 13      6.444310E-01          -7.796500E-02     
 14      2.483820E-01           2.295600E-01     
 15      9.725500E-02           5.761220E-01     
P   15
  1      1.620586E+04           4.000000E-06     
  2      3.836274E+03           4.000000E-05     
  3      1.246048E+03           2.260000E-04     
  4      4.767535E+02           1.013000E-03     
  5      2.021895E+02           3.575000E-03     
  6      9.209487E+01           1.061200E-02     
  7      4.414720E+01           2.390200E-02     
  8      2.185468E+01           4.127900E-02     
  9      1.108596E+01           4.147500E-02     
 10      5.674108E+00          -9.458000E-03     
 11      2.823170E+00          -1.236950E-01     
 12      1.368621E+00          -1.743920E-01     
 13      6.444310E-01          -1.291700E-01     
 14      2.483820E-01           4.003480E-01     
 15      9.725500E-02           6.696460E-01     
P   1
  1      3.663300E-02           1.0000000        
P   1
  1      1.380000E-02           1.0000000        
D   7
  1      1.006630E+02           3.579000E-03     
  2      2.983360E+01           2.582700E-02     
  3      1.088940E+01           9.855900E-02     
  4      4.393580E+00           2.383270E-01     
  5      1.817820E+00           3.587070E-01     
  6      7.278270E-01           3.650920E-01     
  7      2.712950E-01           2.337380E-01     
D   7
  1      1.006630E+02          -3.454000E-03     
  2      2.983360E+01          -2.492500E-02     
  3      1.088940E+01          -9.763500E-02     
  4      4.393580E+00          -2.366920E-01     
  5      1.817820E+00          -2.923500E-01     
  6      7.278270E-01          -4.973000E-03     
  7      2.712950E-01           5.065880E-01     
D   1
  1      8.830900E-02           1.0000000        
D   1
  1      2.875000E-02           1.0000000        
F   2
  1      2.703200E+00           4.267760E-01     
  2      6.438000E-01           7.697990E-01     
F   1
  1      2.226000E-01           1.0000000        


