/usr/share/mpqc/3.0.0-alpha/basis/aug-cc-pvLdPdRz.kv is in mpqc3-data 0.0~git20160216-1.
This file is owned by root:root, with mode 0o644.
The actual contents of the file can be viewed below.
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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: (13s,9p,3d) -> [5s,4p,3d]
aluminum:"aug-cc-pV(D+d)Z": [
(type: [am = S]
{exp coef:0} = {
6.415000000000e+04 2.902500000000e-04
9.617000000000e+03 2.250640000000e-03
2.189000000000e+03 1.164590000000e-02
6.205000000000e+02 4.673770000000e-02
2.027000000000e+02 1.462990000000e-01
7.315000000000e+01 3.302830000000e-01
2.855000000000e+01 4.158610000000e-01
1.177000000000e+01 1.892530000000e-01
3.300000000000e+00 1.158890000000e-02
1.173000000000e+00 -1.283850000000e-03
1.752000000000e-01 4.258830000000e-04})
(type: [am = S]
{exp coef:0} = {
6.415000000000e+04 -7.580480000000e-05
9.617000000000e+03 -5.817910000000e-04
2.189000000000e+03 -3.081130000000e-03
6.205000000000e+02 -1.231120000000e-02
2.027000000000e+02 -4.197810000000e-02
7.315000000000e+01 -1.033710000000e-01
2.855000000000e+01 -1.963080000000e-01
1.177000000000e+01 -8.300020000000e-02
3.300000000000e+00 5.410400000000e-01
1.173000000000e+00 5.787960000000e-01
1.752000000000e-01 2.881470000000e-02})
(type: [am = S]
{exp coef:0} = {
6.415000000000e+04 1.750780000000e-05
9.617000000000e+03 1.342080000000e-04
2.189000000000e+03 7.124420000000e-04
6.205000000000e+02 2.843300000000e-03
2.027000000000e+02 9.768420000000e-03
7.315000000000e+01 2.418500000000e-02
2.855000000000e+01 4.749930000000e-02
1.177000000000e+01 2.036210000000e-02
3.300000000000e+00 -1.587880000000e-01
1.173000000000e+00 -3.116940000000e-01
1.752000000000e-01 6.201470000000e-01})
(type: [am = S]
{exp coef:0} = {
6.473000000000e-02 1.000000000000e+00})
(type: [am = S]
{exp coef:0} = {
2.310000000000e-02 1.000000000000e+00})
(type: [(am = P puream = 1)]
{exp coef:0} = {
2.588000000000e+02 4.068470000000e-03
6.089000000000e+01 3.068150000000e-02
1.914000000000e+01 1.291490000000e-01
6.881000000000e+00 3.208310000000e-01
2.574000000000e+00 4.538150000000e-01
9.572000000000e-01 2.750660000000e-01
2.099000000000e-01 1.908070000000e-02})
(type: [(am = P puream = 1)]
{exp coef:0} = {
2.588000000000e+02 -7.480530000000e-04
6.089000000000e+01 -5.457960000000e-03
1.914000000000e+01 -2.453710000000e-02
6.881000000000e+00 -5.821380000000e-02
2.574000000000e+00 -9.837560000000e-02
9.572000000000e-01 -2.600640000000e-02
2.099000000000e-01 4.640200000000e-01})
(type: [(am = P puream = 1)]
{exp coef:0} = {
5.986000000000e-02 1.000000000000e+00})
(type: [(am = P puream = 1)]
{exp coef:0} = {
1.530000000000e-02 1.000000000000e+00})
(type: [(am = D puream = 1)]
{exp coef:0} = {
1.195000000000e+00 1.000000000000e+00})
(type: [(am = D puream = 1)]
{exp coef:0} = {
1.900000000000e-01 1.000000000000e+00})
(type: [(am = D puream = 1)]
{exp coef:0} = {
5.520000000000e-02 1.000000000000e+00})
]
%
% BASIS SET: (13s,9p,3d) -> [5s,4p,3d]
silicon:"aug-cc-pV(D+d)Z": [
(type: [am = S]
{exp coef:0} = {
7.886000000000e+04 2.704430000000e-04
1.182000000000e+04 2.097170000000e-03
2.692000000000e+03 1.085060000000e-02
7.634000000000e+02 4.367540000000e-02
2.496000000000e+02 1.376530000000e-01
9.028000000000e+01 3.166440000000e-01
3.529000000000e+01 4.185810000000e-01
1.451000000000e+01 2.102120000000e-01
4.053000000000e+00 1.449520000000e-02
1.482000000000e+00 -2.035900000000e-03
2.517000000000e-01 6.241860000000e-04})
(type: [am = S]
{exp coef:0} = {
7.886000000000e+04 -7.231770000000e-05
1.182000000000e+04 -5.551160000000e-04
2.692000000000e+03 -2.938050000000e-03
7.634000000000e+02 -1.176870000000e-02
2.496000000000e+02 -4.029070000000e-02
9.028000000000e+01 -1.006090000000e-01
3.529000000000e+01 -1.965280000000e-01
1.451000000000e+01 -1.023820000000e-01
4.053000000000e+00 5.271900000000e-01
1.482000000000e+00 5.932510000000e-01
2.517000000000e-01 3.326520000000e-02})
(type: [am = S]
{exp coef:0} = {
7.886000000000e+04 1.851130000000e-05
1.182000000000e+04 1.422360000000e-04
2.692000000000e+03 7.521850000000e-04
7.634000000000e+02 3.022790000000e-03
2.496000000000e+02 1.036770000000e-02
9.028000000000e+01 2.625630000000e-02
3.529000000000e+01 5.239890000000e-02
1.451000000000e+01 2.909590000000e-02
4.053000000000e+00 -1.780030000000e-01
1.482000000000e+00 -3.468740000000e-01
2.517000000000e-01 6.230200000000e-01})
(type: [am = S]
{exp coef:0} = {
9.243000000000e-02 1.000000000000e+00})
(type: [am = S]
{exp coef:0} = {
3.320000000000e-02 1.000000000000e+00})
(type: [(am = P puream = 1)]
{exp coef:0} = {
3.159000000000e+02 3.926560000000e-03
7.442000000000e+01 2.988110000000e-02
2.348000000000e+01 1.272120000000e-01
8.488000000000e+00 3.209430000000e-01
3.217000000000e+00 4.554290000000e-01
1.229000000000e+00 2.685630000000e-01
2.964000000000e-01 1.883360000000e-02})
(type: [(am = P puream = 1)]
{exp coef:0} = {
3.159000000000e+02 -8.583020000000e-04
7.442000000000e+01 -6.303280000000e-03
2.348000000000e+01 -2.882550000000e-02
8.488000000000e+00 -6.945600000000e-02
3.217000000000e+00 -1.194930000000e-01
1.229000000000e+00 -1.995810000000e-02
2.964000000000e-01 5.102680000000e-01})
(type: [(am = P puream = 1)]
{exp coef:0} = {
8.768000000000e-02 1.000000000000e+00})
(type: [(am = P puream = 1)]
{exp coef:0} = {
2.500000000000e-02 1.000000000000e+00})
(type: [(am = D puream = 1)]
{exp coef:0} = {
1.803000000000e+00 1.000000000000e+00})
(type: [(am = D puream = 1)]
{exp coef:0} = {
2.750000000000e-01 1.000000000000e+00})
(type: [(am = D puream = 1)]
{exp coef:0} = {
8.400000000000e-02 1.000000000000e+00})
]
%
% BASIS SET: (13s,9p,3d) -> [5s,4p,3d]
phosphorus:"aug-cc-pV(D+d)Z": [
(type: [am = S]
{exp coef:0} = {
9.484000000000e+04 2.555090000000e-04
1.422000000000e+04 1.981930000000e-03
3.236000000000e+03 1.027600000000e-02
9.171000000000e+02 4.148230000000e-02
2.995000000000e+02 1.319840000000e-01
1.081000000000e+02 3.086620000000e-01
4.218000000000e+01 4.206470000000e-01
1.728000000000e+01 2.228780000000e-01
4.858000000000e+00 1.640350000000e-02
1.818000000000e+00 -2.542550000000e-03
3.372000000000e-01 7.480500000000e-04})
(type: [am = S]
{exp coef:0} = {
9.484000000000e+04 -6.969390000000e-05
1.422000000000e+04 -5.352660000000e-04
3.236000000000e+03 -2.837090000000e-03
9.171000000000e+02 -1.139830000000e-02
2.995000000000e+02 -3.929290000000e-02
1.081000000000e+02 -9.963640000000e-02
4.218000000000e+01 -1.979830000000e-01
1.728000000000e+01 -1.148600000000e-01
4.858000000000e+00 5.185950000000e-01
1.818000000000e+00 6.018470000000e-01
3.372000000000e-01 3.686120000000e-02})
(type: [am = S]
{exp coef:0} = {
9.484000000000e+04 1.911990000000e-05
1.422000000000e+04 1.472230000000e-04
3.236000000000e+03 7.779120000000e-04
9.171000000000e+02 3.145460000000e-03
2.995000000000e+02 1.082000000000e-02
1.081000000000e+02 2.799570000000e-02
4.218000000000e+01 5.639780000000e-02
1.728000000000e+01 3.581900000000e-02
4.858000000000e+00 -1.933870000000e-01
1.818000000000e+00 -3.720970000000e-01
3.372000000000e-01 6.242460000000e-01})
(type: [am = S]
{exp coef:0} = {
1.232000000000e-01 1.000000000000e+00})
(type: [am = S]
{exp coef:0} = {
4.170000000000e-02 1.000000000000e+00})
(type: [(am = P puream = 1)]
{exp coef:0} = {
3.705000000000e+02 3.950050000000e-03
8.733000000000e+01 3.024920000000e-02
2.759000000000e+01 1.295540000000e-01
1.000000000000e+01 3.275940000000e-01
3.825000000000e+00 4.569920000000e-01
1.494000000000e+00 2.530860000000e-01
3.921000000000e-01 1.687980000000e-02})
(type: [(am = P puream = 1)]
{exp coef:0} = {
3.705000000000e+02 -9.598320000000e-04
8.733000000000e+01 -7.111770000000e-03
2.759000000000e+01 -3.271220000000e-02
1.000000000000e+01 -7.957840000000e-02
3.825000000000e+00 -1.350160000000e-01
1.494000000000e+00 -9.105850000000e-03
3.921000000000e-01 5.378020000000e-01})
(type: [(am = P puream = 1)]
{exp coef:0} = {
1.186000000000e-01 1.000000000000e+00})
(type: [(am = P puream = 1)]
{exp coef:0} = {
3.430000000000e-02 1.000000000000e+00})
(type: [(am = D puream = 1)]
{exp coef:0} = {
2.506000000000e+00 1.000000000000e+00})
(type: [(am = D puream = 1)]
{exp coef:0} = {
3.740000000000e-01 1.000000000000e+00})
(type: [(am = D puream = 1)]
{exp coef:0} = {
1.160000000000e-01 1.000000000000e+00})
]
%
% BASIS SET: (13s,9p,3d) -> [5s,4p,3d]
sulfur:"aug-cc-pV(D+d)Z": [
(type: [am = S]
{exp coef:0} = {
1.108000000000e+05 2.476350000000e-04
1.661000000000e+04 1.920260000000e-03
3.781000000000e+03 9.961920000000e-03
1.071000000000e+03 4.029750000000e-02
3.498000000000e+02 1.286040000000e-01
1.263000000000e+02 3.034800000000e-01
4.926000000000e+01 4.214320000000e-01
2.016000000000e+01 2.307810000000e-01
5.720000000000e+00 1.789710000000e-02
2.182000000000e+00 -2.975160000000e-03
4.327000000000e-01 8.495220000000e-04})
(type: [am = S]
{exp coef:0} = {
1.108000000000e+05 -6.870390000000e-05
1.661000000000e+04 -5.276810000000e-04
3.781000000000e+03 -2.796710000000e-03
1.071000000000e+03 -1.126510000000e-02
3.498000000000e+02 -3.888340000000e-02
1.263000000000e+02 -9.950250000000e-02
4.926000000000e+01 -1.997400000000e-01
2.016000000000e+01 -1.233600000000e-01
5.720000000000e+00 5.131940000000e-01
2.182000000000e+00 6.071200000000e-01
4.327000000000e-01 3.967530000000e-02})
(type: [am = S]
{exp coef:0} = {
1.108000000000e+05 1.990770000000e-05
1.661000000000e+04 1.534830000000e-04
3.781000000000e+03 8.095030000000e-04
1.071000000000e+03 3.289740000000e-03
3.498000000000e+02 1.129670000000e-02
1.263000000000e+02 2.963850000000e-02
4.926000000000e+01 5.998510000000e-02
2.016000000000e+01 4.132480000000e-02
5.720000000000e+00 -2.074740000000e-01
2.182000000000e+00 -3.928890000000e-01
4.327000000000e-01 6.328400000000e-01})
(type: [am = S]
{exp coef:0} = {
1.570000000000e-01 1.000000000000e+00})
(type: [am = S]
{exp coef:0} = {
5.070000000000e-02 1.000000000000e+00})
(type: [(am = P puream = 1)]
{exp coef:0} = {
3.997000000000e+02 4.475410000000e-03
9.419000000000e+01 3.417080000000e-02
2.975000000000e+01 1.442500000000e-01
1.077000000000e+01 3.539280000000e-01
4.119000000000e+00 4.590850000000e-01
1.625000000000e+00 2.063830000000e-01
4.726000000000e-01 1.021410000000e-02})
(type: [(am = P puream = 1)]
{exp coef:0} = {
3.997000000000e+02 -1.162510000000e-03
9.419000000000e+01 -8.656640000000e-03
2.975000000000e+01 -3.908860000000e-02
1.077000000000e+01 -9.346250000000e-02
4.119000000000e+00 -1.479940000000e-01
1.625000000000e+00 3.019040000000e-02
4.726000000000e-01 5.615730000000e-01})
(type: [(am = P puream = 1)]
{exp coef:0} = {
1.407000000000e-01 1.000000000000e+00})
(type: [(am = P puream = 1)]
{exp coef:0} = {
3.990000000000e-02 1.000000000000e+00})
(type: [(am = D puream = 1)]
{exp coef:0} = {
2.994000000000e+00 1.000000000000e+00})
(type: [(am = D puream = 1)]
{exp coef:0} = {
4.810000000000e-01 1.000000000000e+00})
(type: [(am = D puream = 1)]
{exp coef:0} = {
1.550000000000e-01 1.000000000000e+00})
]
%
% BASIS SET: (13s,9p,3d) -> [5s,4p,3d]
chlorine: "aug-cc-pV(D+d)Z": [
(type: [am = S]
{exp coef:0} = {
1.279000000000e+05 2.411530000000e-04
1.917000000000e+04 1.870950000000e-03
4.363000000000e+03 9.708270000000e-03
1.236000000000e+03 3.931530000000e-02
4.036000000000e+02 1.259320000000e-01
1.457000000000e+02 2.993410000000e-01
5.681000000000e+01 4.218860000000e-01
2.323000000000e+01 2.372010000000e-01
6.644000000000e+00 1.915310000000e-02
2.575000000000e+00 -3.347920000000e-03
5.371000000000e-01 9.298830000000e-04})
(type: [am = S]
{exp coef:0} = {
1.279000000000e+05 -6.789220000000e-05
1.917000000000e+04 -5.218360000000e-04
4.363000000000e+03 -2.765130000000e-03
1.236000000000e+03 -1.115370000000e-02
4.036000000000e+02 -3.859190000000e-02
1.457000000000e+02 -9.948480000000e-02
5.681000000000e+01 -2.013920000000e-01
2.323000000000e+01 -1.303130000000e-01
6.644000000000e+00 5.094430000000e-01
2.575000000000e+00 6.107250000000e-01
5.371000000000e-01 4.215490000000e-02})
(type: [am = S]
{exp coef:0} = {
1.279000000000e+05 2.049860000000e-05
1.917000000000e+04 1.582980000000e-04
4.363000000000e+03 8.336390000000e-04
1.236000000000e+03 3.398800000000e-03
4.036000000000e+02 1.167380000000e-02
1.457000000000e+02 3.096220000000e-02
5.681000000000e+01 6.295330000000e-02
2.323000000000e+01 4.602570000000e-02
6.644000000000e+00 -2.193120000000e-01
2.575000000000e+00 -4.087730000000e-01
5.371000000000e-01 6.384650000000e-01})
(type: [am = S]
{exp coef:0} = {
1.938000000000e-01 1.000000000000e+00})
(type: [am = S]
{exp coef:0} = {
6.080000000000e-02 1.000000000000e+00})
(type: [(am = P puream = 1)]
{exp coef:0} = {
4.176000000000e+02 5.259820000000e-03
9.833000000000e+01 3.983320000000e-02
3.104000000000e+01 1.646550000000e-01
1.119000000000e+01 3.873220000000e-01
4.249000000000e+00 4.570720000000e-01
1.624000000000e+00 1.516360000000e-01
5.322000000000e-01 1.816150000000e-03})
(type: [(am = P puream = 1)]
{exp coef:0} = {
4.176000000000e+02 -1.435700000000e-03
9.833000000000e+01 -1.077960000000e-02
3.104000000000e+01 -4.700750000000e-02
1.119000000000e+01 -1.110300000000e-01
4.249000000000e+00 -1.532750000000e-01
1.624000000000e+00 8.946090000000e-02
5.322000000000e-01 5.794440000000e-01})
(type: [(am = P puream = 1)]
{exp coef:0} = {
1.620000000000e-01 1.000000000000e+00})
(type: [(am = P puream = 1)]
{exp coef:0} = {
4.660000000000e-02 1.000000000000e+00})
(type: [(am = D puream = 1)]
{exp coef:0} = {
3.652000000000e+00 1.000000000000e+00})
(type: [(am = D puream = 1)]
{exp coef:0} = {
6.030000000000e-01 1.000000000000e+00})
(type: [(am = D puream = 1)]
{exp coef:0} = {
1.980000000000e-01 1.000000000000e+00})
]
%
% BASIS SET: (13s,9p,3d) -> [5s,4p,3d]
argon:"aug-cc-pV(D+d)Z": [
(type: [am = S]
{exp coef:0} = {
1.457000000000e+05 2.367000000000e-04
2.184000000000e+04 1.835230000000e-03
4.972000000000e+03 9.528600000000e-03
1.408000000000e+03 3.862830000000e-02
4.597000000000e+02 1.240810000000e-01
1.659000000000e+02 2.964710000000e-01
6.469000000000e+01 4.220680000000e-01
2.644000000000e+01 2.417110000000e-01
7.628000000000e+00 2.005090000000e-02
2.996000000000e+00 -3.610000000000e-03
6.504000000000e-01 9.756070000000e-04})
(type: [am = S]
{exp coef:0} = {
1.457000000000e+05 -6.749100000000e-05
2.184000000000e+04 -5.185220000000e-04
4.972000000000e+03 -2.748250000000e-03
1.408000000000e+03 -1.110070000000e-02
4.597000000000e+02 -3.848200000000e-02
1.659000000000e+02 -9.975990000000e-02
6.469000000000e+01 -2.030880000000e-01
2.644000000000e+01 -1.356080000000e-01
7.628000000000e+00 5.071950000000e-01
2.996000000000e+00 6.128980000000e-01
6.504000000000e-01 4.429680000000e-02})
(type: [am = S]
{exp coef:0} = {
1.457000000000e+05 2.104570000000e-05
2.184000000000e+04 1.625650000000e-04
4.972000000000e+03 8.554630000000e-04
1.408000000000e+03 3.497450000000e-03
4.597000000000e+02 1.201560000000e-02
1.659000000000e+02 3.213680000000e-02
6.469000000000e+01 6.552790000000e-02
2.644000000000e+01 4.993700000000e-02
7.628000000000e+00 -2.297690000000e-01
2.996000000000e+00 -4.210060000000e-01
6.504000000000e-01 6.423310000000e-01})
(type: [am = S]
{exp coef:0} = {
2.337000000000e-01 1.000000000000e+00})
(type: [am = S]
{exp coef:0} = {
7.090000000000e-02 1.000000000000e+00})
(type: [(am = P puream = 1)]
{exp coef:0} = {
4.537000000000e+02 5.705550000000e-03
1.068000000000e+02 4.304600000000e-02
3.373000000000e+01 1.765910000000e-01
1.213000000000e+01 4.068630000000e-01
4.594000000000e+00 4.525490000000e-01
1.678000000000e+00 1.228010000000e-01
5.909000000000e-01 -4.459960000000e-03})
(type: [(am = P puream = 1)]
{exp coef:0} = {
4.537000000000e+02 -1.606550000000e-03
1.068000000000e+02 -1.217140000000e-02
3.373000000000e+01 -5.207890000000e-02
1.213000000000e+01 -1.237370000000e-01
4.594000000000e+00 -1.516190000000e-01
1.678000000000e+00 1.424250000000e-01
5.909000000000e-01 5.845010000000e-01})
(type: [(am = P puream = 1)]
{exp coef:0} = {
1.852000000000e-01 1.000000000000e+00})
(type: [(am = P puream = 1)]
{exp coef:0} = {
5.330000000000e-02 1.000000000000e+00})
(type: [(am = D puream = 1)]
{exp coef:0} = {
4.390000000000e+00 1.000000000000e+00})
(type: [(am = D puream = 1)]
{exp coef:0} = {
7.390000000000e-01 1.000000000000e+00})
(type: [(am = D puream = 1)]
{exp coef:0} = {
2.380000000000e-01 1.000000000000e+00})
]
)
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