/usr/share/mpqc/3.0.0-alpha/basis/aug-cc-pvLqPdRz.kv is in mpqc3-data 0.0~git20160216-1.
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basis:(
% Elements References
% -------- ----------
% Al - Ar: T.H. Dunning, Jr., K.A. Peterson and A.K. Wilson, J. Chem. Phys. 114,
% 9244 (2001)
%
% BASIS SET: (17s,12p,5d,3f,2g) -> [7s,6p,5d,3f,2g]
aluminum:"aug-cc-pV(Q+d)Z": [
(type: [am = S]
{exp coef:0} = {
4.196000000000e+05 2.782190000000e-05
6.283000000000e+04 2.163300000000e-04
1.429000000000e+04 1.137540000000e-03
4.038000000000e+03 4.796350000000e-03
1.312000000000e+03 1.723890000000e-02
4.705000000000e+02 5.380660000000e-02
1.818000000000e+02 1.413260000000e-01
7.446000000000e+01 2.892680000000e-01
3.190000000000e+01 3.848250000000e-01
1.396000000000e+01 2.328520000000e-01
5.180000000000e+00 2.933300000000e-02
2.265000000000e+00 -3.005740000000e-03
9.664000000000e-01 1.666730000000e-03})
(type: [am = S]
{exp coef:0} = {
4.196000000000e+05 -7.237540000000e-06
6.283000000000e+04 -5.617330000000e-05
1.429000000000e+04 -2.965280000000e-04
4.038000000000e+03 -1.249130000000e-03
1.312000000000e+03 -4.551010000000e-03
4.705000000000e+02 -1.443930000000e-02
1.818000000000e+02 -4.034640000000e-02
7.446000000000e+01 -9.226180000000e-02
3.190000000000e+01 -1.645100000000e-01
1.396000000000e+01 -1.412960000000e-01
5.180000000000e+00 1.953650000000e-01
2.265000000000e+00 5.724750000000e-01
9.664000000000e-01 3.740410000000e-01})
(type: [am = S]
{exp coef:0} = {
4.196000000000e+05 1.671500000000e-06
6.283000000000e+04 1.296410000000e-05
1.429000000000e+04 6.851010000000e-05
4.038000000000e+03 2.882740000000e-04
1.312000000000e+03 1.052760000000e-03
4.705000000000e+02 3.338780000000e-03
1.818000000000e+02 9.392170000000e-03
7.446000000000e+01 2.160470000000e-02
3.190000000000e+01 3.958730000000e-02
1.396000000000e+01 3.491800000000e-02
5.180000000000e+00 -5.284150000000e-02
2.265000000000e+00 -1.918780000000e-01
9.664000000000e-01 -2.541150000000e-01})
(type: [am = S]
{exp coef:0} = {
2.447000000000e-01 1.000000000000e+00})
(type: [am = S]
{exp coef:0} = {
1.184000000000e-01 1.000000000000e+00})
(type: [am = S]
{exp coef:0} = {
5.021000000000e-02 1.000000000000e+00})
(type: [am = S]
{exp coef:0} = {
1.830000000000e-02 1.000000000000e+00})
(type: [(am = P puream = 1)]
{exp coef:0} = {
8.913000000000e+02 4.917550000000e-04
2.113000000000e+02 4.158430000000e-03
6.828000000000e+01 2.125380000000e-02
2.570000000000e+01 7.640580000000e-02
1.063000000000e+01 1.942770000000e-01
4.602000000000e+00 3.344280000000e-01
2.015000000000e+00 3.750260000000e-01
8.706000000000e-01 2.040410000000e-01})
(type: [(am = P puream = 1)]
{exp coef:0} = {
8.913000000000e+02 -8.886950000000e-05
2.113000000000e+02 -7.458230000000e-04
6.828000000000e+01 -3.870250000000e-03
2.570000000000e+01 -1.393500000000e-02
1.063000000000e+01 -3.668600000000e-02
4.602000000000e+00 -6.277970000000e-02
2.015000000000e+00 -7.896020000000e-02
8.706000000000e-01 -2.885890000000e-02})
(type: [(am = P puream = 1)]
{exp coef:0} = {
2.972000000000e-01 1.000000000000e+00})
(type: [(am = P puream = 1)]
{exp coef:0} = {
1.100000000000e-01 1.000000000000e+00})
(type: [(am = P puream = 1)]
{exp coef:0} = {
3.989000000000e-02 1.000000000000e+00})
(type: [(am = P puream = 1)]
{exp coef:0} = {
1.210000000000e-02 1.000000000000e+00})
(type: [(am = D puream = 1)]
{exp coef:0} = {
1.970000000000e+00 1.000000000000e+00})
(type: [(am = D puream = 1)]
{exp coef:0} = {
4.370000000000e-01 1.000000000000e+00})
(type: [(am = D puream = 1)]
{exp coef:0} = {
1.950000000000e-01 1.000000000000e+00})
(type: [(am = D puream = 1)]
{exp coef:0} = {
8.000000000000e-02 1.000000000000e+00})
(type: [(am = D puream = 1)]
{exp coef:0} = {
2.740000000000e-02 1.000000000000e+00})
(type: [(am = F puream = 1)]
{exp coef:0} = {
1.540000000000e-01 1.000000000000e+00})
(type: [(am = F puream = 1)]
{exp coef:0} = {
4.010000000000e-01 1.000000000000e+00})
(type: [(am = F puream = 1)]
{exp coef:0} = {
5.820000000000e-02 1.000000000000e+00})
(type: [(am = G puream = 1)]
{exp coef:0} = {
3.570000000000e-01 1.000000000000e+00})
(type: [(am = G puream = 1)]
{exp coef:0} = {
1.530000000000e-01 1.000000000000e+00})
]
%
% BASIS SET: (17s,12p,5d,3f,2g) -> [7s,6p,5d,3f,2g]
silicon:"aug-cc-pV(Q+d)Z": [
(type: [am = S]
{exp coef:0} = {
5.130000000000e+05 2.609200000000e-05
7.682000000000e+04 2.029050000000e-04
1.747000000000e+04 1.067150000000e-03
4.935000000000e+03 4.505970000000e-03
1.602000000000e+03 1.623590000000e-02
5.741000000000e+02 5.089130000000e-02
2.215000000000e+02 1.351550000000e-01
9.054000000000e+01 2.812920000000e-01
3.874000000000e+01 3.853360000000e-01
1.695000000000e+01 2.456510000000e-01
6.452000000000e+00 3.431450000000e-02
2.874000000000e+00 -3.348840000000e-03
1.250000000000e+00 1.876250000000e-03})
(type: [am = S]
{exp coef:0} = {
5.130000000000e+05 -6.948800000000e-06
7.682000000000e+04 -5.396410000000e-05
1.747000000000e+04 -2.847160000000e-04
4.935000000000e+03 -1.202030000000e-03
1.602000000000e+03 -4.383970000000e-03
5.741000000000e+02 -1.397760000000e-02
2.215000000000e+02 -3.935160000000e-02
9.054000000000e+01 -9.142830000000e-02
3.874000000000e+01 -1.656090000000e-01
1.695000000000e+01 -1.525050000000e-01
6.452000000000e+00 1.685240000000e-01
2.874000000000e+00 5.692840000000e-01
1.250000000000e+00 3.980560000000e-01})
(type: [am = S]
{exp coef:0} = {
5.130000000000e+05 1.780680000000e-06
7.682000000000e+04 1.381480000000e-05
1.747000000000e+04 7.300050000000e-05
4.935000000000e+03 3.076660000000e-04
1.602000000000e+03 1.125630000000e-03
5.741000000000e+02 3.584350000000e-03
2.215000000000e+02 1.017280000000e-02
9.054000000000e+01 2.375200000000e-02
3.874000000000e+01 4.434830000000e-02
1.695000000000e+01 4.190410000000e-02
6.452000000000e+00 -5.025040000000e-02
2.874000000000e+00 -2.165780000000e-01
1.250000000000e+00 -2.864480000000e-01})
(type: [am = S]
{exp coef:0} = {
3.599000000000e-01 1.000000000000e+00})
(type: [am = S]
{exp coef:0} = {
1.699000000000e-01 1.000000000000e+00})
(type: [am = S]
{exp coef:0} = {
7.066000000000e-02 1.000000000000e+00})
(type: [am = S]
{exp coef:0} = {
2.750000000000e-02 1.000000000000e+00})
(type: [(am = P puream = 1)]
{exp coef:0} = {
1.122000000000e+03 4.481430000000e-04
2.660000000000e+02 3.816390000000e-03
8.592000000000e+01 1.981050000000e-02
3.233000000000e+01 7.270170000000e-02
1.337000000000e+01 1.898390000000e-01
5.800000000000e+00 3.356720000000e-01
2.559000000000e+00 3.793650000000e-01
1.124000000000e+00 2.011930000000e-01})
(type: [(am = P puream = 1)]
{exp coef:0} = {
1.122000000000e+03 -9.648830000000e-05
2.660000000000e+02 -8.119710000000e-04
8.592000000000e+01 -4.300870000000e-03
3.233000000000e+01 -1.575020000000e-02
1.337000000000e+01 -4.295410000000e-02
5.800000000000e+00 -7.525740000000e-02
2.559000000000e+00 -9.714460000000e-02
1.124000000000e+00 -2.275070000000e-02})
(type: [(am = P puream = 1)]
{exp coef:0} = {
3.988000000000e-01 1.000000000000e+00})
(type: [(am = P puream = 1)]
{exp coef:0} = {
1.533000000000e-01 1.000000000000e+00})
(type: [(am = P puream = 1)]
{exp coef:0} = {
5.728000000000e-02 1.000000000000e+00})
(type: [(am = P puream = 1)]
{exp coef:0} = {
2.000000000000e-02 1.000000000000e+00})
(type: [(am = D puream = 1)]
{exp coef:0} = {
2.645000000000e+00 1.000000000000e+00})
(type: [(am = D puream = 1)]
{exp coef:0} = {
6.080000000000e-01 1.000000000000e+00})
(type: [(am = D puream = 1)]
{exp coef:0} = {
2.720000000000e-01 1.000000000000e+00})
(type: [(am = D puream = 1)]
{exp coef:0} = {
1.130000000000e-01 1.000000000000e+00})
(type: [(am = D puream = 1)]
{exp coef:0} = {
4.140000000000e-02 1.000000000000e+00})
(type: [(am = F puream = 1)]
{exp coef:0} = {
2.120000000000e-01 1.000000000000e+00})
(type: [(am = F puream = 1)]
{exp coef:0} = {
5.410000000000e-01 1.000000000000e+00})
(type: [(am = F puream = 1)]
{exp coef:0} = {
8.460000000000e-02 1.000000000000e+00})
(type: [(am = G puream = 1)]
{exp coef:0} = {
4.610000000000e-01 1.000000000000e+00})
(type: [(am = G puream = 1)]
{exp coef:0} = {
2.120000000000e-01 1.000000000000e+00})
]
%
% BASIS SET: (17s,12p,5d,3f,2g) -> [7s,6p,5d,3f,2g]
phosphorus:"aug-cc-pV(Q+d)Z": [
(type: [am = S]
{exp coef:0} = {
6.152000000000e+05 2.474500000000e-05
9.212000000000e+04 1.924650000000e-04
2.095000000000e+04 1.012020000000e-03
5.920000000000e+03 4.272610000000e-03
1.922000000000e+03 1.541610000000e-02
6.880000000000e+02 4.859760000000e-02
2.650000000000e+02 1.300600000000e-01
1.082000000000e+02 2.745140000000e-01
4.622000000000e+01 3.854020000000e-01
2.023000000000e+01 2.559340000000e-01
7.859000000000e+00 3.912370000000e-02
3.547000000000e+00 -3.680100000000e-03
1.564000000000e+00 2.082110000000e-03})
(type: [am = S]
{exp coef:0} = {
6.152000000000e+05 -6.722050000000e-06
9.212000000000e+04 -5.223110000000e-05
2.095000000000e+04 -2.753610000000e-04
5.920000000000e+03 -1.163070000000e-03
1.922000000000e+03 -4.242810000000e-03
6.880000000000e+02 -1.361140000000e-02
2.650000000000e+02 -3.851140000000e-02
1.082000000000e+02 -9.066430000000e-02
4.622000000000e+01 -1.665840000000e-01
2.023000000000e+01 -1.614470000000e-01
7.859000000000e+00 1.467810000000e-01
3.547000000000e+00 5.666820000000e-01
1.564000000000e+00 4.164330000000e-01})
(type: [am = S]
{exp coef:0} = {
6.152000000000e+05 1.847400000000e-06
9.212000000000e+04 1.433800000000e-05
2.095000000000e+04 7.572280000000e-05
5.920000000000e+03 3.192050000000e-04
1.922000000000e+03 1.168510000000e-03
6.880000000000e+02 3.742670000000e-03
2.650000000000e+02 1.068170000000e-02
1.082000000000e+02 2.526570000000e-02
4.622000000000e+01 4.792830000000e-02
2.023000000000e+01 4.770960000000e-02
7.859000000000e+00 -4.665250000000e-02
3.547000000000e+00 -2.349680000000e-01
1.564000000000e+00 -3.113370000000e-01})
(type: [am = S]
{exp coef:0} = {
4.888000000000e-01 1.000000000000e+00})
(type: [am = S]
{exp coef:0} = {
2.266000000000e-01 1.000000000000e+00})
(type: [am = S]
{exp coef:0} = {
9.331000000000e-02 1.000000000000e+00})
(type: [am = S]
{exp coef:0} = {
3.540000000000e-02 1.000000000000e+00})
(type: [(am = P puream = 1)]
{exp coef:0} = {
1.367000000000e+03 4.210150000000e-04
3.240000000000e+02 3.609850000000e-03
1.046000000000e+02 1.892170000000e-02
3.937000000000e+01 7.055600000000e-02
1.626000000000e+01 1.881570000000e-01
7.056000000000e+00 3.387090000000e-01
3.130000000000e+00 3.819430000000e-01
1.394000000000e+00 1.952610000000e-01})
(type: [(am = P puream = 1)]
{exp coef:0} = {
1.367000000000e+03 -1.008270000000e-04
3.240000000000e+02 -8.544990000000e-04
1.046000000000e+02 -4.571160000000e-03
3.937000000000e+01 -1.703270000000e-02
1.626000000000e+01 -4.752040000000e-02
7.056000000000e+00 -8.527860000000e-02
3.130000000000e+00 -1.096760000000e-01
1.394000000000e+00 -1.611810000000e-02})
(type: [(am = P puream = 1)]
{exp coef:0} = {
5.179000000000e-01 1.000000000000e+00})
(type: [(am = P puream = 1)]
{exp coef:0} = {
2.032000000000e-01 1.000000000000e+00})
(type: [(am = P puream = 1)]
{exp coef:0} = {
7.698000000000e-02 1.000000000000e+00})
(type: [(am = P puream = 1)]
{exp coef:0} = {
2.720000000000e-02 1.000000000000e+00})
(type: [(am = D puream = 1)]
{exp coef:0} = {
3.343000000000e+00 1.000000000000e+00})
(type: [(am = D puream = 1)]
{exp coef:0} = {
8.070000000000e-01 1.000000000000e+00})
(type: [(am = D puream = 1)]
{exp coef:0} = {
3.650000000000e-01 1.000000000000e+00})
(type: [(am = D puream = 1)]
{exp coef:0} = {
1.540000000000e-01 1.000000000000e+00})
(type: [(am = D puream = 1)]
{exp coef:0} = {
5.700000000000e-02 1.000000000000e+00})
(type: [(am = F puream = 1)]
{exp coef:0} = {
2.800000000000e-01 1.000000000000e+00})
(type: [(am = F puream = 1)]
{exp coef:0} = {
7.030000000000e-01 1.000000000000e+00})
(type: [(am = F puream = 1)]
{exp coef:0} = {
1.090000000000e-01 1.000000000000e+00})
(type: [(am = G puream = 1)]
{exp coef:0} = {
5.970000000000e-01 1.000000000000e+00})
(type: [(am = G puream = 1)]
{exp coef:0} = {
2.500000000000e-01 1.000000000000e+00})
]
%
% BASIS SET: (17s,12p,5d,3f,2g) -> [7s,6p,5d,3f,2g]
sulfur:"aug-cc-pV(Q+d)Z": [
(type: [am = S]
{exp coef:0} = {
7.278000000000e+05 2.360250000000e-05
1.090000000000e+05 1.834820000000e-04
2.480000000000e+04 9.642780000000e-04
7.014000000000e+03 4.065370000000e-03
2.278000000000e+03 1.469730000000e-02
8.147000000000e+02 4.650810000000e-02
3.134000000000e+02 1.255080000000e-01
1.277000000000e+02 2.684330000000e-01
5.448000000000e+01 3.848090000000e-01
2.385000000000e+01 2.653720000000e-01
9.428000000000e+00 4.373260000000e-02
4.290000000000e+00 -3.788070000000e-03
1.909000000000e+00 2.180830000000e-03})
(type: [am = S]
{exp coef:0} = {
7.278000000000e+05 -6.521790000000e-06
1.090000000000e+05 -5.066310000000e-05
2.480000000000e+04 -2.668330000000e-04
7.014000000000e+03 -1.126010000000e-03
2.278000000000e+03 -4.111860000000e-03
8.147000000000e+02 -1.324540000000e-02
3.134000000000e+02 -3.770040000000e-02
1.277000000000e+02 -8.985540000000e-02
5.448000000000e+01 -1.670980000000e-01
2.385000000000e+01 -1.693540000000e-01
9.428000000000e+00 1.278240000000e-01
4.290000000000e+00 5.648620000000e-01
1.909000000000e+00 4.317670000000e-01})
(type: [am = S]
{exp coef:0} = {
7.278000000000e+05 1.894060000000e-06
1.090000000000e+05 1.469480000000e-05
2.480000000000e+04 7.754600000000e-05
7.014000000000e+03 3.265090000000e-04
2.278000000000e+03 1.196860000000e-03
8.147000000000e+02 3.847990000000e-03
3.134000000000e+02 1.105390000000e-02
1.277000000000e+02 2.646450000000e-02
5.448000000000e+01 5.087710000000e-02
2.385000000000e+01 5.300300000000e-02
9.428000000000e+00 -4.255180000000e-02
4.290000000000e+00 -2.508530000000e-01
1.909000000000e+00 -3.331520000000e-01})
(type: [am = S]
{exp coef:0} = {
6.270000000000e-01 1.000000000000e+00})
(type: [am = S]
{exp coef:0} = {
2.873000000000e-01 1.000000000000e+00})
(type: [am = S]
{exp coef:0} = {
1.172000000000e-01 1.000000000000e+00})
(type: [am = S]
{exp coef:0} = {
4.280000000000e-02 1.000000000000e+00})
(type: [(am = P puream = 1)]
{exp coef:0} = {
1.546000000000e+03 4.411830000000e-04
3.664000000000e+02 3.775710000000e-03
1.184000000000e+02 1.983600000000e-02
4.453000000000e+01 7.420630000000e-02
1.838000000000e+01 1.973270000000e-01
7.965000000000e+00 3.518510000000e-01
3.541000000000e+00 3.786870000000e-01
1.591000000000e+00 1.709310000000e-01})
(type: [(am = P puream = 1)]
{exp coef:0} = {
1.546000000000e+03 -1.131100000000e-04
3.664000000000e+02 -9.585810000000e-04
1.184000000000e+02 -5.134710000000e-03
4.453000000000e+01 -1.926410000000e-02
1.838000000000e+01 -5.359800000000e-02
7.965000000000e+00 -9.603330000000e-02
3.541000000000e+00 -1.181830000000e-01
1.591000000000e+00 9.231940000000e-03})
(type: [(am = P puream = 1)]
{exp coef:0} = {
6.205000000000e-01 1.000000000000e+00})
(type: [(am = P puream = 1)]
{exp coef:0} = {
2.420000000000e-01 1.000000000000e+00})
(type: [(am = P puream = 1)]
{exp coef:0} = {
9.014000000000e-02 1.000000000000e+00})
(type: [(am = P puream = 1)]
{exp coef:0} = {
3.170000000000e-02 1.000000000000e+00})
(type: [(am = D puream = 1)]
{exp coef:0} = {
4.159000000000e+00 1.000000000000e+00})
(type: [(am = D puream = 1)]
{exp coef:0} = {
1.019000000000e+00 1.000000000000e+00})
(type: [(am = D puream = 1)]
{exp coef:0} = {
4.640000000000e-01 1.000000000000e+00})
(type: [(am = D puream = 1)]
{exp coef:0} = {
1.940000000000e-01 1.000000000000e+00})
(type: [(am = D puream = 1)]
{exp coef:0} = {
7.220000000000e-02 1.000000000000e+00})
(type: [(am = F puream = 1)]
{exp coef:0} = {
3.350000000000e-01 1.000000000000e+00})
(type: [(am = F puream = 1)]
{exp coef:0} = {
8.690000000000e-01 1.000000000000e+00})
(type: [(am = F puream = 1)]
{exp coef:0} = {
1.400000000000e-01 1.000000000000e+00})
(type: [(am = G puream = 1)]
{exp coef:0} = {
6.830000000000e-01 1.000000000000e+00})
(type: [(am = G puream = 1)]
{exp coef:0} = {
2.970000000000e-01 1.000000000000e+00})
]
%
% BASIS SET: (17s,12p,5d,3f,2g) -> [7s,6p,5d,3f,2g]
chlorine:"aug-cc-pV(Q+d)Z": [
(type: [am = S]
{exp coef:0} = {
8.349000000000e+05 2.316880000000e-05
1.250000000000e+05 1.801540000000e-04
2.843000000000e+04 9.477820000000e-04
8.033000000000e+03 4.001390000000e-03
2.608000000000e+03 1.446290000000e-02
9.339000000000e+02 4.565860000000e-02
3.600000000000e+02 1.232480000000e-01
1.470000000000e+02 2.643690000000e-01
6.288000000000e+01 3.829890000000e-01
2.760000000000e+01 2.709340000000e-01
1.108000000000e+01 4.714040000000e-02
5.075000000000e+00 -3.717660000000e-03
2.278000000000e+00 2.191580000000e-03})
(type: [am = S]
{exp coef:0} = {
8.349000000000e+05 -6.496490000000e-06
1.250000000000e+05 -5.048950000000e-05
2.843000000000e+04 -2.661130000000e-04
8.033000000000e+03 -1.124990000000e-03
2.608000000000e+03 -4.104970000000e-03
9.339000000000e+02 -1.319870000000e-02
3.600000000000e+02 -3.753420000000e-02
1.470000000000e+02 -8.972330000000e-02
6.288000000000e+01 -1.676710000000e-01
2.760000000000e+01 -1.747630000000e-01
1.108000000000e+01 1.149090000000e-01
5.075000000000e+00 5.636180000000e-01
2.278000000000e+00 4.416060000000e-01})
(type: [am = S]
{exp coef:0} = {
8.349000000000e+05 1.966450000000e-06
1.250000000000e+05 1.526200000000e-05
2.843000000000e+04 8.060860000000e-05
8.033000000000e+03 3.399600000000e-04
2.608000000000e+03 1.245510000000e-03
9.339000000000e+02 3.996120000000e-03
3.600000000000e+02 1.147510000000e-02
1.470000000000e+02 2.755040000000e-02
6.288000000000e+01 5.329170000000e-02
2.760000000000e+01 5.712460000000e-02
1.108000000000e+01 -3.952010000000e-02
5.075000000000e+00 -2.643430000000e-01
2.278000000000e+00 -3.492910000000e-01})
(type: [am = S]
{exp coef:0} = {
7.775000000000e-01 1.000000000000e+00})
(type: [am = S]
{exp coef:0} = {
3.527000000000e-01 1.000000000000e+00})
(type: [am = S]
{exp coef:0} = {
1.431000000000e-01 1.000000000000e+00})
(type: [am = S]
{exp coef:0} = {
5.190000000000e-02 1.000000000000e+00})
(type: [(am = P puream = 1)]
{exp coef:0} = {
1.703000000000e+03 4.740390000000e-04
4.036000000000e+02 4.064120000000e-03
1.303000000000e+02 2.133550000000e-02
4.905000000000e+01 7.946110000000e-02
2.026000000000e+01 2.089270000000e-01
8.787000000000e+00 3.649450000000e-01
3.919000000000e+00 3.717250000000e-01
1.765000000000e+00 1.462920000000e-01})
(type: [(am = P puream = 1)]
{exp coef:0} = {
1.703000000000e+03 -1.282660000000e-04
4.036000000000e+02 -1.093560000000e-03
1.303000000000e+02 -5.834290000000e-03
4.905000000000e+01 -2.192580000000e-02
2.026000000000e+01 -6.013850000000e-02
8.787000000000e+00 -1.069290000000e-01
3.919000000000e+00 -1.224540000000e-01
1.765000000000e+00 3.836190000000e-02})
(type: [(am = P puream = 1)]
{exp coef:0} = {
7.207000000000e-01 1.000000000000e+00})
(type: [(am = P puream = 1)]
{exp coef:0} = {
2.839000000000e-01 1.000000000000e+00})
(type: [(am = P puream = 1)]
{exp coef:0} = {
1.060000000000e-01 1.000000000000e+00})
(type: [(am = P puream = 1)]
{exp coef:0} = {
3.760000000000e-02 1.000000000000e+00})
(type: [(am = D puream = 1)]
{exp coef:0} = {
5.191000000000e+00 1.000000000000e+00})
(type: [(am = D puream = 1)]
{exp coef:0} = {
1.276000000000e+00 1.000000000000e+00})
(type: [(am = D puream = 1)]
{exp coef:0} = {
5.830000000000e-01 1.000000000000e+00})
(type: [(am = D puream = 1)]
{exp coef:0} = {
2.430000000000e-01 1.000000000000e+00})
(type: [(am = D puream = 1)]
{exp coef:0} = {
9.120000000000e-02 1.000000000000e+00})
(type: [(am = F puream = 1)]
{exp coef:0} = {
4.230000000000e-01 1.000000000000e+00})
(type: [(am = F puream = 1)]
{exp coef:0} = {
1.089000000000e+00 1.000000000000e+00})
(type: [(am = F puream = 1)]
{exp coef:0} = {
2.170000000000e-01 1.000000000000e+00})
(type: [(am = G puream = 1)]
{exp coef:0} = {
8.270000000000e-01 1.000000000000e+00})
(type: [(am = G puream = 1)]
{exp coef:0} = {
3.780000000000e-01 1.000000000000e+00})
]
%
% BASIS SET: (17s,12p,5d,3f,2g) -> [7s,6p,5d,3f,2g]
argon:"aug-cc-pV(Q+d)Z": [
(type: [am = S]
{exp coef:0} = {
9.506000000000e+05 2.275450000000e-05
1.423000000000e+05 1.769450000000e-04
3.236000000000e+04 9.312820000000e-04
9.145000000000e+03 3.928600000000e-03
2.970000000000e+03 1.420640000000e-02
1.064000000000e+03 4.481140000000e-02
4.108000000000e+02 1.210010000000e-01
1.680000000000e+02 2.605790000000e-01
7.199000000000e+01 3.813640000000e-01
3.167000000000e+01 2.760580000000e-01
1.289000000000e+01 5.051790000000e-02
5.929000000000e+00 -3.598660000000e-03
2.678000000000e+00 2.187980000000e-03})
(type: [am = S]
{exp coef:0} = {
9.506000000000e+05 -6.462010000000e-06
1.423000000000e+05 -5.023460000000e-05
3.236000000000e+04 -2.648040000000e-04
9.145000000000e+03 -1.118950000000e-03
2.970000000000e+03 -4.082760000000e-03
1.064000000000e+03 -1.312160000000e-02
4.108000000000e+02 -3.728550000000e-02
1.680000000000e+02 -8.947090000000e-02
7.199000000000e+01 -1.680540000000e-01
3.167000000000e+01 -1.795940000000e-01
1.289000000000e+01 1.029530000000e-01
5.929000000000e+00 5.626300000000e-01
2.678000000000e+00 4.503550000000e-01})
(type: [am = S]
{exp coef:0} = {
9.506000000000e+05 2.020560000000e-06
1.423000000000e+05 1.568510000000e-05
3.236000000000e+04 8.286170000000e-05
9.145000000000e+03 3.492640000000e-04
2.970000000000e+03 1.279760000000e-03
1.064000000000e+03 4.103650000000e-03
4.108000000000e+02 1.177890000000e-02
1.680000000000e+02 2.838680000000e-02
7.199000000000e+01 5.524060000000e-02
3.167000000000e+01 6.074920000000e-02
1.289000000000e+01 -3.620120000000e-02
5.929000000000e+00 -2.753980000000e-01
2.678000000000e+00 -3.628450000000e-01})
(type: [am = S]
{exp coef:0} = {
9.416000000000e-01 1.000000000000e+00})
(type: [am = S]
{exp coef:0} = {
4.239000000000e-01 1.000000000000e+00})
(type: [am = S]
{exp coef:0} = {
1.714000000000e-01 1.000000000000e+00})
(type: [am = S]
{exp coef:0} = {
6.100000000000e-02 1.000000000000e+00})
(type: [(am = P puream = 1)]
{exp coef:0} = {
1.890000000000e+03 4.957520000000e-04
4.478000000000e+02 4.251720000000e-03
1.446000000000e+02 2.232770000000e-02
5.446000000000e+01 8.308780000000e-02
2.251000000000e+01 2.171100000000e-01
9.774000000000e+00 3.745070000000e-01
4.368000000000e+00 3.664450000000e-01
1.959000000000e+00 1.292450000000e-01})
(type: [(am = P puream = 1)]
{exp coef:0} = {
1.890000000000e+03 -1.388630000000e-04
4.478000000000e+02 -1.188700000000e-03
1.446000000000e+02 -6.325530000000e-03
5.446000000000e+01 -2.388130000000e-02
2.251000000000e+01 -6.492380000000e-02
9.774000000000e+00 -1.154440000000e-01
4.368000000000e+00 -1.236510000000e-01
1.959000000000e+00 6.490550000000e-02})
(type: [(am = P puream = 1)]
{exp coef:0} = {
8.260000000000e-01 1.000000000000e+00})
(type: [(am = P puream = 1)]
{exp coef:0} = {
3.297000000000e-01 1.000000000000e+00})
(type: [(am = P puream = 1)]
{exp coef:0} = {
1.242000000000e-01 1.000000000000e+00})
(type: [(am = P puream = 1)]
{exp coef:0} = {
4.350000000000e-02 1.000000000000e+00})
(type: [(am = D puream = 1)]
{exp coef:0} = {
6.315000000000e+00 1.000000000000e+00})
(type: [(am = D puream = 1)]
{exp coef:0} = {
1.562000000000e+00 1.000000000000e+00})
(type: [(am = D puream = 1)]
{exp coef:0} = {
7.150000000000e-01 1.000000000000e+00})
(type: [(am = D puream = 1)]
{exp coef:0} = {
2.970000000000e-01 1.000000000000e+00})
(type: [(am = D puream = 1)]
{exp coef:0} = {
1.080000000000e-01 1.000000000000e+00})
(type: [(am = F puream = 1)]
{exp coef:0} = {
5.430000000000e-01 1.000000000000e+00})
(type: [(am = F puream = 1)]
{exp coef:0} = {
1.325000000000e+00 1.000000000000e+00})
(type: [(am = F puream = 1)]
{exp coef:0} = {
2.940000000000e-01 1.000000000000e+00})
(type: [(am = G puream = 1)]
{exp coef:0} = {
1.007000000000e+00 1.000000000000e+00})
(type: [(am = G puream = 1)]
{exp coef:0} = {
4.590000000000e-01 1.000000000000e+00})
]
)
|