/usr/share/mpqc/3.0.0-alpha/basis/cc-pvqz-f12.kv is in mpqc3-data 0.0~git20170114-4ubuntu1.
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2022 2023 2024 2025 2026 2027 2028 2029 2030 2031 2032 2033 2034 2035 2036 2037 2038 2039 2040 2041 2042 2043 2044 2045 2046 2047 2048 2049 2050 2051 2052 2053 2054 2055 2056 2057 2058 2059 2060 2061 2062 2063 2064 2065 2066 2067 2068 2069 2070 2071 2072 2073 2074 2075 2076 2077 2078 2079 2080 2081 2082 2083 2084 2085 2086 2087 2088 2089 2090 2091 2092 2093 2094 2095 2096 2097 2098 2099 2100 2101 2102 2103 2104 2105 2106 2107 2108 2109 2110 2111 2112 2113 2114 2115 2116 2117 2118 2119 2120 2121 2122 2123 2124 2125 2126 2127 2128 2129 2130 2131 2132 2133 2134 2135 2136 2137 2138 2139 2140 2141 2142 2143 2144 2145 2146 2147 2148 2149 2150 2151 2152 2153 2154 2155 2156 | % Recovered from: http://tyr0.chem.wsu.edu/~kipeters/basissets/f12basis.html
% Published in: K.A. Peterson, T.B. Adler, H.-J. Werner, J. Chem. Phys. 128, 084102 (2008)
% Li Be Na Mg: from EMSL Basis Set Exchange Library, J. Grant Hill and Kirk A. Peterson, Phys. Chem. Chem. Phys. 12, 10460 (2010)
% correlation consistent polarized Valence Quadruple-Zeta F12 Basis Set
% ** Recommended F12 exponent is 1.1 **
basis:hydrogen:"cc-pVQZ-F12": [
(type: [am = S]
{exp coef:0} = {
4.020000000000e+02 2.790000000000e-04
6.024000000000e+01 2.165000000000e-03
1.373000000000e+01 1.120100000000e-02
3.905000000000e+00 4.487800000000e-02
1.283000000000e+00 1.422990000000e-01
4.655000000000e-01 3.309790000000e-01
1.811000000000e-01 4.362690000000e-01
7.279000000000e-02 1.764400000000e-01})
(type: [am = S]
{exp coef:0} = {
1.283000000000e+00 1.000000000000e+00})
(type: [am = S]
{exp coef:0} = {
4.655000000000e-01 1.000000000000e+00})
(type: [am = S]
{exp coef:0} = {
1.811000000000e-01 1.000000000000e+00})
(type: [am = S]
{exp coef:0} = {
7.279000000000e-02 1.000000000000e+00})
(type: [(am = P puream = 1)]
{exp coef:0} = {
3.259900000000e+00 1.000000000000e+00})
(type: [(am = P puream = 1)]
{exp coef:0} = {
1.238900000000e+00 1.000000000000e+00})
(type: [(am = P puream = 1)]
{exp coef:0} = {
4.708000000000e-01 1.000000000000e+00})
(type: [(am = P puream = 1)]
{exp coef:0} = {
1.789000000000e-01 1.000000000000e+00})
(type: [(am = D puream = 1)]
{exp coef:0} = {
1.111100000000e+00 1.000000000000e+00})
(type: [(am = D puream = 1)]
{exp coef:0} = {
3.501000000000e-01 1.000000000000e+00})
(type: [(am = F puream = 1)]
{exp coef:0} = {
4.796000000000e-01 1.000000000000e+00})
]
basis:helium:"cc-pVQZ-F12": [
(type: [am = S]
{exp coef:0} = {
1.145000000000e+03 3.590000000000e-04
1.717000000000e+02 2.771000000000e-03
3.907000000000e+01 1.425100000000e-02
1.104000000000e+01 5.556600000000e-02
3.566000000000e+00 1.620910000000e-01
1.240000000000e+00 3.321970000000e-01
4.473000000000e-01 4.196150000000e-01
1.640000000000e-01 1.861280000000e-01})
(type: [am = S]
{exp coef:0} = {
3.566000000000e+00 1.000000000000e+00})
(type: [am = S]
{exp coef:0} = {
1.240000000000e+00 1.000000000000e+00})
(type: [am = S]
{exp coef:0} = {
4.473000000000e-01 1.000000000000e+00})
(type: [am = S]
{exp coef:0} = {
1.640000000000e-01 1.000000000000e+00})
(type: [am = S]
{exp coef:0} = {
4.664000000000e-02 1.000000000000e+00})
(type: [(am = P puream = 1)]
{exp coef:0} = {
7.667800000000e+00 1.000000000000e+00})
(type: [(am = P puream = 1)]
{exp coef:0} = {
2.765100000000e+00 1.000000000000e+00})
(type: [(am = P puream = 1)]
{exp coef:0} = {
9.971000000000e-01 1.000000000000e+00})
(type: [(am = P puream = 1)]
{exp coef:0} = {
3.596000000000e-01 1.000000000000e+00})
(type: [(am = D puream = 1)]
{exp coef:0} = {
9.239000000000e-01 1.000000000000e+00})
(type: [(am = D puream = 1)]
{exp coef:0} = {
4.420000000000e-01 1.000000000000e+00})
(type: [(am = F puream = 1)]
{exp coef:0} = {
7.445000000000e-01 1.000000000000e+00})
]
basis:lithium:"cc-pVQZ-F12": [
(type: [am = S]
{exp coef:0} = {
2.949300000000e+04 1.800000000000e-05
4.417101000000e+03 1.410000000000e-04
1.005223000000e+03 7.390000000000e-04
2.847009000000e+02 3.107000000000e-03
9.286543000000e+01 1.113500000000e-02
3.351179000000e+01 3.467000000000e-02
1.304180000000e+01 9.217100000000e-02
5.357536000000e+00 1.995760000000e-01
2.279338000000e+00 3.288360000000e-01
9.939900000000e-01 3.459750000000e-01})
(type: [am = S]
{exp coef:0} = {
2.949300000000e+04 -3.000000000000e-06
4.417101000000e+03 -2.200000000000e-05
1.005223000000e+03 -1.150000000000e-04
2.847009000000e+02 -4.870000000000e-04
9.286543000000e+01 -1.746000000000e-03
3.351179000000e+01 -5.520000000000e-03
1.304180000000e+01 -1.492800000000e-02
5.357536000000e+00 -3.420600000000e-02
2.279338000000e+00 -6.215500000000e-02
9.939900000000e-01 -9.590200000000e-02})
(type: [am = S]
{exp coef:0} = {
4.334710000000e-01 1.000000000000e+00})
(type: [am = S]
{exp coef:0} = {
9.556600000000e-02 1.000000000000e+00})
(type: [am = S]
{exp coef:0} = {
4.465700000000e-02 1.000000000000e+00})
(type: [am = S]
{exp coef:0} = {
2.063300000000e-02 1.000000000000e+00})
(type: [am = S]
{exp coef:0} = {
6.100000000000e-03 1.000000000000e+00})
(type: [(am = P puream = 1)]
{exp coef:0} = {
1.966350000000e+01 5.400000000000e-04
4.623110000000e+00 3.865000000000e-03
1.413780000000e+00 1.517100000000e-02})
(type: [(am = P puream = 1)]
{exp coef:0} = {
4.737210000000e-01 1.000000000000e+00})
(type: [(am = P puream = 1)]
{exp coef:0} = {
1.761510000000e-01 1.000000000000e+00})
(type: [(am = P puream = 1)]
{exp coef:0} = {
7.267500000000e-02 1.000000000000e+00})
(type: [(am = P puream = 1)]
{exp coef:0} = {
3.214100000000e-02 1.000000000000e+00})
(type: [(am = P puream = 1)]
{exp coef:0} = {
1.455600000000e-02 1.000000000000e+00})
(type: [(am = P puream = 1)]
{exp coef:0} = {
6.500000000000e-03 1.000000000000e+00})
(type: [(am = D puream = 1)]
{exp coef:0} = {
3.263570000000e-01 1.000000000000e+00})
(type: [(am = D puream = 1)]
{exp coef:0} = {
1.778360000000e-01 1.000000000000e+00})
(type: [(am = D puream = 1)]
{exp coef:0} = {
9.690500000000e-02 1.000000000000e+00})
(type: [(am = D puream = 1)]
{exp coef:0} = {
5.280400000000e-02 1.000000000000e+00})
(type: [(am = F puream = 1)]
{exp coef:0} = {
2.076280000000e-01 1.000000000000e+00})
(type: [(am = F puream = 1)]
{exp coef:0} = {
1.211940000000e-01 1.000000000000e+00})
(type: [(am = F puream = 1)]
{exp coef:0} = {
7.074200000000e-02 1.000000000000e+00})
(type: [(am = G puream = 1)]
{exp coef:0} = {
1.961340000000e-01 1.000000000000e+00})
(type: [(am = G puream = 1)]
{exp coef:0} = {
1.087330000000e-01 1.000000000000e+00})
]
basis:beryllium:"cc-pVQZ-F12": [
(type: [am = S]
{exp coef:0} = {
5.462000000000e+04 1.800000000000e-05
8.180000000000e+03 1.380000000000e-04
1.862000000000e+03 7.230000000000e-04
5.273000000000e+02 3.039000000000e-03
1.720000000000e+02 1.090800000000e-02
6.210000000000e+01 3.403500000000e-02
2.421000000000e+01 9.119300000000e-02
9.993000000000e+00 1.992680000000e-01
4.305000000000e+00 3.293550000000e-01
1.921000000000e+00 3.404890000000e-01})
(type: [am = S]
{exp coef:0} = {
5.462000000000e+04 -3.000000000000e-06
8.180000000000e+03 -2.500000000000e-05
1.862000000000e+03 -1.310000000000e-04
5.273000000000e+02 -5.580000000000e-04
1.720000000000e+02 -1.988000000000e-03
6.210000000000e+01 -6.370000000000e-03
2.421000000000e+01 -1.721700000000e-02
9.993000000000e+00 -4.085800000000e-02
4.305000000000e+00 -7.423700000000e-02
1.921000000000e+00 -1.192340000000e-01})
(type: [am = S]
{exp coef:0} = {
8.663000000000e-01 1.000000000000e+00})
(type: [am = S]
{exp coef:0} = {
2.475000000000e-01 1.000000000000e+00})
(type: [am = S]
{exp coef:0} = {
1.009000000000e-01 1.000000000000e+00})
(type: [am = S]
{exp coef:0} = {
4.129000000000e-02 1.000000000000e+00})
(type: [am = S]
{exp coef:0} = {
1.280000000000e-02 1.000000000000e+00})
(type: [(am = P puream = 1)]
{exp coef:0} = {
4.375000000000e+01 6.330000000000e-04
1.033000000000e+01 4.808000000000e-03
3.226000000000e+00 2.052700000000e-02})
(type: [(am = P puream = 1)]
{exp coef:0} = {
1.127000000000e+00 1.000000000000e+00})
(type: [(am = P puream = 1)]
{exp coef:0} = {
4.334000000000e-01 1.000000000000e+00})
(type: [(am = P puream = 1)]
{exp coef:0} = {
1.808000000000e-01 1.000000000000e+00})
(type: [(am = P puream = 1)]
{exp coef:0} = {
7.827000000000e-02 1.000000000000e+00})
(type: [(am = P puream = 1)]
{exp coef:0} = {
3.372000000000e-02 1.000000000000e+00})
(type: [(am = P puream = 1)]
{exp coef:0} = {
7.600000000000e-03 1.000000000000e+00})
(type: [(am = D puream = 1)]
{exp coef:0} = {
1.026822000000e+00 1.000000000000e+00})
(type: [(am = D puream = 1)]
{exp coef:0} = {
4.838920000000e-01 1.000000000000e+00})
(type: [(am = D puream = 1)]
{exp coef:0} = {
2.280350000000e-01 1.000000000000e+00})
(type: [(am = D puream = 1)]
{exp coef:0} = {
1.074620000000e-01 1.000000000000e+00})
(type: [(am = F puream = 1)]
{exp coef:0} = {
4.386940000000e-01 1.000000000000e+00})
(type: [(am = F puream = 1)]
{exp coef:0} = {
2.302230000000e-01 1.000000000000e+00})
(type: [(am = F puream = 1)]
{exp coef:0} = {
1.208200000000e-01 1.000000000000e+00})
(type: [(am = G puream = 1)]
{exp coef:0} = {
3.436160000000e-01 1.000000000000e+00})
(type: [(am = G puream = 1)]
{exp coef:0} = {
1.673590000000e-01 1.000000000000e+00})
]
basis:boron:"cc-pVQZ-F12": [
(type: [am = S]
{exp coef:0} = {
6.826000000000e+04 2.400000000000e-05
1.023000000000e+04 1.850000000000e-04
2.328000000000e+03 9.700000000000e-04
6.604000000000e+02 4.056000000000e-03
2.162000000000e+02 1.439900000000e-02
7.860000000000e+01 4.390100000000e-02
3.098000000000e+01 1.130570000000e-01
1.296000000000e+01 2.338250000000e-01
5.659000000000e+00 3.539600000000e-01
2.556000000000e+00 3.015470000000e-01
1.175000000000e+00 8.752100000000e-02
4.249000000000e-01 2.819000000000e-03
1.712000000000e-01 4.300000000000e-05
6.913000000000e-02 7.800000000000e-05})
(type: [am = S]
{exp coef:0} = {
6.826000000000e+04 -5.000000000000e-06
1.023000000000e+04 -3.700000000000e-05
2.328000000000e+03 -1.960000000000e-04
6.604000000000e+02 -8.240000000000e-04
2.162000000000e+02 -2.923000000000e-03
7.860000000000e+01 -9.138000000000e-03
3.098000000000e+01 -2.410500000000e-02
1.296000000000e+01 -5.475500000000e-02
5.659000000000e+00 -9.694300000000e-02
2.556000000000e+00 -1.374850000000e-01
1.175000000000e+00 -4.456500000000e-02
4.249000000000e-01 3.243450000000e-01
1.712000000000e-01 5.704140000000e-01
6.913000000000e-02 2.434440000000e-01})
(type: [am = S]
{exp coef:0} = {
1.175000000000e+00 1.000000000000e+00})
(type: [am = S]
{exp coef:0} = {
4.249000000000e-01 1.000000000000e+00})
(type: [am = S]
{exp coef:0} = {
1.712000000000e-01 1.000000000000e+00})
(type: [am = S]
{exp coef:0} = {
6.913000000000e-02 1.000000000000e+00})
(type: [am = S]
{exp coef:0} = {
2.610000000000e-02 1.000000000000e+00})
(type: [(am = P puream = 1)]
{exp coef:0} = {
6.644000000000e+01 8.380000000000e-04
1.571000000000e+01 6.409000000000e-03
4.936000000000e+00 2.808100000000e-02
1.770000000000e+00 9.215200000000e-02
7.008000000000e-01 2.241640000000e-01
2.901000000000e-01 3.699150000000e-01
1.211000000000e-01 3.744410000000e-01
4.973000000000e-02 1.390860000000e-01})
(type: [(am = P puream = 1)]
{exp coef:0} = {
1.770000000000e+00 1.000000000000e+00})
(type: [(am = P puream = 1)]
{exp coef:0} = {
7.008000000000e-01 1.000000000000e+00})
(type: [(am = P puream = 1)]
{exp coef:0} = {
2.901000000000e-01 1.000000000000e+00})
(type: [(am = P puream = 1)]
{exp coef:0} = {
1.211000000000e-01 1.000000000000e+00})
(type: [(am = P puream = 1)]
{exp coef:0} = {
4.973000000000e-02 1.000000000000e+00})
(type: [(am = P puream = 1)]
{exp coef:0} = {
1.570000000000e-02 1.000000000000e+00})
(type: [(am = D puream = 1)]
{exp coef:0} = {
2.527800000000e+00 1.000000000000e+00})
(type: [(am = D puream = 1)]
{exp coef:0} = {
9.852000000000e-01 1.000000000000e+00})
(type: [(am = D puream = 1)]
{exp coef:0} = {
3.840000000000e-01 1.000000000000e+00})
(type: [(am = D puream = 1)]
{exp coef:0} = {
1.497000000000e-01 1.000000000000e+00})
(type: [(am = F puream = 1)]
{exp coef:0} = {
1.140100000000e+00 1.000000000000e+00})
(type: [(am = F puream = 1)]
{exp coef:0} = {
4.313000000000e-01 1.000000000000e+00})
(type: [(am = F puream = 1)]
{exp coef:0} = {
1.631000000000e-01 1.000000000000e+00})
(type: [(am = G puream = 1)]
{exp coef:0} = {
9.375000000000e-01 1.000000000000e+00})
(type: [(am = G puream = 1)]
{exp coef:0} = {
3.306000000000e-01 1.000000000000e+00})
]
basis:carbon:"cc-pVQZ-F12": [
(type: [am = S]
{exp coef:0} = {
9.677000000000e+04 2.500000000000e-05
1.450000000000e+04 1.900000000000e-04
3.300000000000e+03 1.000000000000e-03
9.358000000000e+02 4.183000000000e-03
3.062000000000e+02 1.485900000000e-02
1.113000000000e+02 4.530100000000e-02
4.390000000000e+01 1.165040000000e-01
1.840000000000e+01 2.402490000000e-01
8.054000000000e+00 3.587990000000e-01
3.637000000000e+00 2.939410000000e-01
1.656000000000e+00 7.766500000000e-02
6.333000000000e-01 2.333000000000e-03
2.545000000000e-01 5.050000000000e-04
1.019000000000e-01 3.000000000000e-05})
(type: [am = S]
{exp coef:0} = {
9.677000000000e+04 -5.000000000000e-06
1.450000000000e+04 -4.100000000000e-05
3.300000000000e+03 -2.130000000000e-04
9.358000000000e+02 -8.970000000000e-04
3.062000000000e+02 -3.187000000000e-03
1.113000000000e+02 -9.961000000000e-03
4.390000000000e+01 -2.637500000000e-02
1.840000000000e+01 -6.000100000000e-02
8.054000000000e+00 -1.068250000000e-01
3.637000000000e+00 -1.441660000000e-01
1.656000000000e+00 -2.464420000000e-02
6.333000000000e-01 3.490090000000e-01
2.545000000000e-01 5.587370000000e-01
1.019000000000e-01 2.281020000000e-01})
(type: [am = S]
{exp coef:0} = {
1.656000000000e+00 1.000000000000e+00})
(type: [am = S]
{exp coef:0} = {
6.333000000000e-01 1.000000000000e+00})
(type: [am = S]
{exp coef:0} = {
2.545000000000e-01 1.000000000000e+00})
(type: [am = S]
{exp coef:0} = {
1.019000000000e-01 1.000000000000e+00})
(type: [am = S]
{exp coef:0} = {
3.940000000000e-02 1.000000000000e+00})
(type: [(am = P puream = 1)]
{exp coef:0} = {
1.018000000000e+02 8.910000000000e-04
2.404000000000e+01 6.976000000000e-03
7.571000000000e+00 3.166900000000e-02
2.732000000000e+00 1.040060000000e-01
1.085000000000e+00 2.416330000000e-01
4.496000000000e-01 3.719460000000e-01
1.876000000000e-01 3.542000000000e-01
7.606000000000e-02 1.315680000000e-01})
(type: [(am = P puream = 1)]
{exp coef:0} = {
2.732000000000e+00 1.000000000000e+00})
(type: [(am = P puream = 1)]
{exp coef:0} = {
1.085000000000e+00 1.000000000000e+00})
(type: [(am = P puream = 1)]
{exp coef:0} = {
4.496000000000e-01 1.000000000000e+00})
(type: [(am = P puream = 1)]
{exp coef:0} = {
1.876000000000e-01 1.000000000000e+00})
(type: [(am = P puream = 1)]
{exp coef:0} = {
7.606000000000e-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} = {
3.705600000000e+00 1.000000000000e+00})
(type: [(am = D puream = 1)]
{exp coef:0} = {
1.421200000000e+00 1.000000000000e+00})
(type: [(am = D puream = 1)]
{exp coef:0} = {
5.451000000000e-01 1.000000000000e+00})
(type: [(am = D puream = 1)]
{exp coef:0} = {
2.091000000000e-01 1.000000000000e+00})
(type: [(am = F puream = 1)]
{exp coef:0} = {
1.443800000000e+00 1.000000000000e+00})
(type: [(am = F puream = 1)]
{exp coef:0} = {
5.931000000000e-01 1.000000000000e+00})
(type: [(am = F puream = 1)]
{exp coef:0} = {
2.436000000000e-01 1.000000000000e+00})
(type: [(am = G puream = 1)]
{exp coef:0} = {
1.182500000000e+00 1.000000000000e+00})
(type: [(am = G puream = 1)]
{exp coef:0} = {
4.685000000000e-01 1.000000000000e+00})
]
basis:nitrogen:"cc-pVQZ-F12": [
(type: [am = S]
{exp coef:0} = {
1.292000000000e+05 2.500000000000e-05
1.935000000000e+04 1.970000000000e-04
4.404000000000e+03 1.032000000000e-03
1.248000000000e+03 4.325000000000e-03
4.080000000000e+02 1.538000000000e-02
1.482000000000e+02 4.686700000000e-02
5.850000000000e+01 1.201160000000e-01
2.459000000000e+01 2.456950000000e-01
1.081000000000e+01 3.613790000000e-01
4.882000000000e+00 2.872830000000e-01
2.195000000000e+00 7.017100000000e-02
8.715000000000e-01 1.831000000000e-03
3.504000000000e-01 8.350000000000e-04
1.397000000000e-01 -6.000000000000e-06})
(type: [am = S]
{exp coef:0} = {
1.292000000000e+05 -6.000000000000e-06
1.935000000000e+04 -4.300000000000e-05
4.404000000000e+03 -2.270000000000e-04
1.248000000000e+03 -9.580000000000e-04
4.080000000000e+02 -3.416000000000e-03
1.482000000000e+02 -1.066700000000e-02
5.850000000000e+01 -2.827900000000e-02
2.459000000000e+01 -6.402000000000e-02
1.081000000000e+01 -1.139320000000e-01
4.882000000000e+00 -1.469950000000e-01
2.195000000000e+00 -7.251000000000e-03
8.715000000000e-01 3.661830000000e-01
3.504000000000e-01 5.479080000000e-01
1.397000000000e-01 2.166450000000e-01})
(type: [am = S]
{exp coef:0} = {
2.195000000000e+00 1.000000000000e+00})
(type: [am = S]
{exp coef:0} = {
8.715000000000e-01 1.000000000000e+00})
(type: [am = S]
{exp coef:0} = {
3.504000000000e-01 1.000000000000e+00})
(type: [am = S]
{exp coef:0} = {
1.397000000000e-01 1.000000000000e+00})
(type: [am = S]
{exp coef:0} = {
5.180000000000e-02 1.000000000000e+00})
(type: [(am = P puream = 1)]
{exp coef:0} = {
1.470000000000e+02 8.920000000000e-04
3.476000000000e+01 7.082000000000e-03
1.100000000000e+01 3.281600000000e-02
3.995000000000e+00 1.082090000000e-01
1.587000000000e+00 2.480940000000e-01
6.533000000000e-01 3.745130000000e-01
2.686000000000e-01 3.484140000000e-01
1.067000000000e-01 1.283400000000e-01})
(type: [(am = P puream = 1)]
{exp coef:0} = {
3.995000000000e+00 1.000000000000e+00})
(type: [(am = P puream = 1)]
{exp coef:0} = {
1.587000000000e+00 1.000000000000e+00})
(type: [(am = P puream = 1)]
{exp coef:0} = {
6.533000000000e-01 1.000000000000e+00})
(type: [(am = P puream = 1)]
{exp coef:0} = {
2.686000000000e-01 1.000000000000e+00})
(type: [(am = P puream = 1)]
{exp coef:0} = {
1.067000000000e-01 1.000000000000e+00})
(type: [(am = P puream = 1)]
{exp coef:0} = {
3.690000000000e-02 1.000000000000e+00})
(type: [(am = D puream = 1)]
{exp coef:0} = {
5.981700000000e+00 1.000000000000e+00})
(type: [(am = D puream = 1)]
{exp coef:0} = {
2.205600000000e+00 1.000000000000e+00})
(type: [(am = D puream = 1)]
{exp coef:0} = {
8.133000000000e-01 1.000000000000e+00})
(type: [(am = D puream = 1)]
{exp coef:0} = {
2.999000000000e-01 1.000000000000e+00})
(type: [(am = F puream = 1)]
{exp coef:0} = {
2.472800000000e+00 1.000000000000e+00})
(type: [(am = F puream = 1)]
{exp coef:0} = {
9.819000000000e-01 1.000000000000e+00})
(type: [(am = F puream = 1)]
{exp coef:0} = {
3.899000000000e-01 1.000000000000e+00})
(type: [(am = G puream = 1)]
{exp coef:0} = {
1.397500000000e+00 1.000000000000e+00})
(type: [(am = G puream = 1)]
{exp coef:0} = {
5.027000000000e-01 1.000000000000e+00})
]
basis:oxygen:"cc-pVQZ-F12": [
(type: [am = S]
{exp coef:0} = {
1.642000000000e+05 2.600000000000e-05
2.459000000000e+04 2.050000000000e-04
5.592000000000e+03 1.076000000000e-03
1.582000000000e+03 4.522000000000e-03
5.161000000000e+02 1.610800000000e-02
1.872000000000e+02 4.908500000000e-02
7.393000000000e+01 1.248570000000e-01
3.122000000000e+01 2.516860000000e-01
1.381000000000e+01 3.624200000000e-01
6.256000000000e+00 2.790510000000e-01
2.776000000000e+00 6.355200000000e-02
1.138000000000e+00 1.063000000000e-03
4.600000000000e-01 1.144000000000e-03
1.829000000000e-01 -4.000000000000e-05})
(type: [am = S]
{exp coef:0} = {
1.642000000000e+05 -6.000000000000e-06
2.459000000000e+04 -4.600000000000e-05
5.592000000000e+03 -2.440000000000e-04
1.582000000000e+03 -1.031000000000e-03
5.161000000000e+02 -3.688000000000e-03
1.872000000000e+02 -1.151400000000e-02
7.393000000000e+01 -3.043500000000e-02
3.122000000000e+01 -6.814700000000e-02
1.381000000000e+01 -1.203680000000e-01
6.256000000000e+00 -1.482600000000e-01
2.776000000000e+00 9.905000000000e-03
1.138000000000e+00 3.842860000000e-01
4.600000000000e-01 5.368050000000e-01
1.829000000000e-01 2.026870000000e-01})
(type: [am = S]
{exp coef:0} = {
2.776000000000e+00 1.000000000000e+00})
(type: [am = S]
{exp coef:0} = {
1.138000000000e+00 1.000000000000e+00})
(type: [am = S]
{exp coef:0} = {
4.600000000000e-01 1.000000000000e+00})
(type: [am = S]
{exp coef:0} = {
1.829000000000e-01 1.000000000000e+00})
(type: [am = S]
{exp coef:0} = {
6.550000000000e-02 1.000000000000e+00})
(type: [(am = P puream = 1)]
{exp coef:0} = {
1.955000000000e+02 9.180000000000e-04
4.616000000000e+01 7.388000000000e-03
1.458000000000e+01 3.495800000000e-02
5.296000000000e+00 1.154310000000e-01
2.094000000000e+00 2.568030000000e-01
8.471000000000e-01 3.739380000000e-01
3.368000000000e-01 3.434470000000e-01
1.285000000000e-01 1.297060000000e-01})
(type: [(am = P puream = 1)]
{exp coef:0} = {
5.296000000000e+00 1.000000000000e+00})
(type: [(am = P puream = 1)]
{exp coef:0} = {
2.094000000000e+00 1.000000000000e+00})
(type: [(am = P puream = 1)]
{exp coef:0} = {
8.471000000000e-01 1.000000000000e+00})
(type: [(am = P puream = 1)]
{exp coef:0} = {
3.368000000000e-01 1.000000000000e+00})
(type: [(am = P puream = 1)]
{exp coef:0} = {
1.285000000000e-01 1.000000000000e+00})
(type: [(am = P puream = 1)]
{exp coef:0} = {
4.460000000000e-02 1.000000000000e+00})
(type: [(am = D puream = 1)]
{exp coef:0} = {
7.672000000000e+00 1.000000000000e+00})
(type: [(am = D puream = 1)]
{exp coef:0} = {
2.820500000000e+00 1.000000000000e+00})
(type: [(am = D puream = 1)]
{exp coef:0} = {
1.036900000000e+00 1.000000000000e+00})
(type: [(am = D puream = 1)]
{exp coef:0} = {
3.812000000000e-01 1.000000000000e+00})
(type: [(am = F puream = 1)]
{exp coef:0} = {
3.502800000000e+00 1.000000000000e+00})
(type: [(am = F puream = 1)]
{exp coef:0} = {
1.280200000000e+00 1.000000000000e+00})
(type: [(am = F puream = 1)]
{exp coef:0} = {
4.679000000000e-01 1.000000000000e+00})
(type: [(am = G puream = 1)]
{exp coef:0} = {
1.588000000000e+00 1.000000000000e+00})
(type: [(am = G puream = 1)]
{exp coef:0} = {
5.836000000000e-01 1.000000000000e+00})
]
basis:fluorine:"cc-pVQZ-F12": [
(type: [am = S]
{exp coef:0} = {
2.114000000000e+05 2.600000000000e-05
3.166000000000e+04 2.010000000000e-04
7.202000000000e+03 1.056000000000e-03
2.040000000000e+03 4.432000000000e-03
6.664000000000e+02 1.576600000000e-02
2.420000000000e+02 4.811200000000e-02
9.553000000000e+01 1.232320000000e-01
4.023000000000e+01 2.515190000000e-01
1.772000000000e+01 3.645250000000e-01
8.005000000000e+00 2.797660000000e-01
3.538000000000e+00 6.354500000000e-02
1.458000000000e+00 1.111000000000e-03
5.887000000000e-01 1.258000000000e-03
2.324000000000e-01 -3.500000000000e-05})
(type: [am = S]
{exp coef:0} = {
2.114000000000e+05 -6.000000000000e-06
3.166000000000e+04 -4.700000000000e-05
7.202000000000e+03 -2.440000000000e-04
2.040000000000e+03 -1.031000000000e-03
6.664000000000e+02 -3.683000000000e-03
2.420000000000e+02 -1.151300000000e-02
9.553000000000e+01 -3.066300000000e-02
4.023000000000e+01 -6.957200000000e-02
1.772000000000e+01 -1.239920000000e-01
8.005000000000e+00 -1.502140000000e-01
3.538000000000e+00 1.646000000000e-02
1.458000000000e+00 3.925500000000e-01
5.887000000000e-01 5.321640000000e-01
2.324000000000e-01 1.965240000000e-01})
(type: [am = S]
{exp coef:0} = {
3.538000000000e+00 1.000000000000e+00})
(type: [am = S]
{exp coef:0} = {
1.458000000000e+00 1.000000000000e+00})
(type: [am = S]
{exp coef:0} = {
5.887000000000e-01 1.000000000000e+00})
(type: [am = S]
{exp coef:0} = {
2.324000000000e-01 1.000000000000e+00})
(type: [am = S]
{exp coef:0} = {
8.060000000000e-02 1.000000000000e+00})
(type: [(am = P puream = 1)]
{exp coef:0} = {
2.419000000000e+02 1.002000000000e-03
5.717000000000e+01 8.054000000000e-03
1.813000000000e+01 3.804800000000e-02
6.624000000000e+00 1.237790000000e-01
2.622000000000e+00 2.660600000000e-01
1.057000000000e+00 3.717960000000e-01
4.176000000000e-01 3.328900000000e-01
1.574000000000e-01 1.284910000000e-01})
(type: [(am = P puream = 1)]
{exp coef:0} = {
6.624000000000e+00 1.000000000000e+00})
(type: [(am = P puream = 1)]
{exp coef:0} = {
2.622000000000e+00 1.000000000000e+00})
(type: [(am = P puream = 1)]
{exp coef:0} = {
1.057000000000e+00 1.000000000000e+00})
(type: [(am = P puream = 1)]
{exp coef:0} = {
4.176000000000e-01 1.000000000000e+00})
(type: [(am = P puream = 1)]
{exp coef:0} = {
1.574000000000e-01 1.000000000000e+00})
(type: [(am = P puream = 1)]
{exp coef:0} = {
5.500000000000e-02 1.000000000000e+00})
(type: [(am = D puream = 1)]
{exp coef:0} = {
9.277800000000e+00 1.000000000000e+00})
(type: [(am = D puream = 1)]
{exp coef:0} = {
3.248500000000e+00 1.000000000000e+00})
(type: [(am = D puream = 1)]
{exp coef:0} = {
1.137500000000e+00 1.000000000000e+00})
(type: [(am = D puream = 1)]
{exp coef:0} = {
3.983000000000e-01 1.000000000000e+00})
(type: [(am = F puream = 1)]
{exp coef:0} = {
4.596900000000e+00 1.000000000000e+00})
(type: [(am = F puream = 1)]
{exp coef:0} = {
1.611200000000e+00 1.000000000000e+00})
(type: [(am = F puream = 1)]
{exp coef:0} = {
5.647000000000e-01 1.000000000000e+00})
(type: [(am = G puream = 1)]
{exp coef:0} = {
2.114900000000e+00 1.000000000000e+00})
(type: [(am = G puream = 1)]
{exp coef:0} = {
7.640000000000e-01 1.000000000000e+00})
]
basis:neon:"cc-pVQZ-F12": [
(type: [am = S]
{exp coef:0} = {
2.627000000000e+05 2.600000000000e-05
3.935000000000e+04 2.000000000000e-04
8.955000000000e+03 1.050000000000e-03
2.538000000000e+03 4.400000000000e-03
8.299000000000e+02 1.564900000000e-02
3.015000000000e+02 4.775800000000e-02
1.190000000000e+02 1.229430000000e-01
5.000000000000e+01 2.524830000000e-01
2.198000000000e+01 3.663140000000e-01
9.891000000000e+00 2.796170000000e-01
4.327000000000e+00 6.165100000000e-02
1.804000000000e+00 9.340000000000e-04
7.288000000000e-01 1.367000000000e-03
2.867000000000e-01 -3.800000000000e-05})
(type: [am = S]
{exp coef:0} = {
2.627000000000e+05 -6.000000000000e-06
3.935000000000e+04 -4.700000000000e-05
8.955000000000e+03 -2.470000000000e-04
2.538000000000e+03 -1.038000000000e-03
8.299000000000e+02 -3.711000000000e-03
3.015000000000e+02 -1.159300000000e-02
1.190000000000e+02 -3.108600000000e-02
5.000000000000e+01 -7.097200000000e-02
2.198000000000e+01 -1.272660000000e-01
9.891000000000e+00 -1.512310000000e-01
4.327000000000e+00 2.466600000000e-02
1.804000000000e+00 3.996120000000e-01
7.288000000000e-01 5.266160000000e-01
2.867000000000e-01 1.908540000000e-01})
(type: [am = S]
{exp coef:0} = {
4.327000000000e+00 1.000000000000e+00})
(type: [am = S]
{exp coef:0} = {
1.804000000000e+00 1.000000000000e+00})
(type: [am = S]
{exp coef:0} = {
7.288000000000e-01 1.000000000000e+00})
(type: [am = S]
{exp coef:0} = {
2.867000000000e-01 1.000000000000e+00})
(type: [am = S]
{exp coef:0} = {
9.570000000000e-02 1.000000000000e+00})
(type: [(am = P puream = 1)]
{exp coef:0} = {
2.991000000000e+02 1.038000000000e-03
7.073000000000e+01 8.375000000000e-03
2.248000000000e+01 3.969300000000e-02
8.246000000000e+00 1.280560000000e-01
3.269000000000e+00 2.703250000000e-01
1.315000000000e+00 3.709630000000e-01
5.158000000000e-01 3.284990000000e-01
1.918000000000e-01 1.275880000000e-01})
(type: [(am = P puream = 1)]
{exp coef:0} = {
8.246000000000e+00 1.000000000000e+00})
(type: [(am = P puream = 1)]
{exp coef:0} = {
3.269000000000e+00 1.000000000000e+00})
(type: [(am = P puream = 1)]
{exp coef:0} = {
1.315000000000e+00 1.000000000000e+00})
(type: [(am = P puream = 1)]
{exp coef:0} = {
5.158000000000e-01 1.000000000000e+00})
(type: [(am = P puream = 1)]
{exp coef:0} = {
1.918000000000e-01 1.000000000000e+00})
(type: [(am = P puream = 1)]
{exp coef:0} = {
6.540000000000e-02 1.000000000000e+00})
(type: [(am = D puream = 1)]
{exp coef:0} = {
1.192200000000e+01 1.000000000000e+00})
(type: [(am = D puream = 1)]
{exp coef:0} = {
4.079900000000e+00 1.000000000000e+00})
(type: [(am = D puream = 1)]
{exp coef:0} = {
1.396300000000e+00 1.000000000000e+00})
(type: [(am = D puream = 1)]
{exp coef:0} = {
4.778000000000e-01 1.000000000000e+00})
(type: [(am = F puream = 1)]
{exp coef:0} = {
7.124900000000e+00 1.000000000000e+00})
(type: [(am = F puream = 1)]
{exp coef:0} = {
2.323000000000e+00 1.000000000000e+00})
(type: [(am = F puream = 1)]
{exp coef:0} = {
7.574000000000e-01 1.000000000000e+00})
(type: [(am = G puream = 1)]
{exp coef:0} = {
4.468500000000e+00 1.000000000000e+00})
(type: [(am = G puream = 1)]
{exp coef:0} = {
9.718000000000e-01 1.000000000000e+00})
]
basis:sodium:"cc-pVQZ-F12": [
(type: [am = S]
{exp coef:0} = {
2.185572000000e+06 2.000000000000e-06
3.272284000000e+05 1.800000000000e-05
7.446684000000e+04 9.500000000000e-05
2.109315000000e+04 4.010000000000e-04
6.881898000000e+03 1.459000000000e-03
2.484696000000e+03 4.746000000000e-03
9.692232000000e+02 1.403100000000e-02
4.020643000000e+02 3.773300000000e-02
1.753545000000e+02 9.070200000000e-02
7.965199000000e+01 1.864660000000e-01
3.738672000000e+01 3.018370000000e-01
1.800194000000e+01 3.238300000000e-01
8.724371000000e+00 1.687000000000e-01
3.857715000000e+00 2.308300000000e-02
1.815686000000e+00 -1.470000000000e-04
8.382540000000e-01 1.099000000000e-03})
(type: [am = S]
{exp coef:0} = {
2.185572000000e+06 -1.000000000000e-06
3.272284000000e+05 -4.000000000000e-06
7.446684000000e+04 -2.300000000000e-05
2.109315000000e+04 -9.800000000000e-05
6.881898000000e+03 -3.570000000000e-04
2.484696000000e+03 -1.165000000000e-03
9.692232000000e+02 -3.464000000000e-03
4.020643000000e+02 -9.495000000000e-03
1.753545000000e+02 -2.358700000000e-02
7.965199000000e+01 -5.239400000000e-02
3.738672000000e+01 -9.802800000000e-02
1.800194000000e+01 -1.436730000000e-01
8.724371000000e+00 -1.022980000000e-01
3.857715000000e+00 1.380290000000e-01
1.815686000000e+00 4.290060000000e-01
8.382540000000e-01 4.478130000000e-01})
(type: [am = S]
{exp coef:0} = {
3.272284000000e+05 1.000000000000e-06
7.446684000000e+04 3.000000000000e-06
2.109315000000e+04 1.500000000000e-05
6.881898000000e+03 5.400000000000e-05
2.484696000000e+03 1.750000000000e-04
9.692232000000e+02 5.200000000000e-04
4.020643000000e+02 1.431000000000e-03
1.753545000000e+02 3.554000000000e-03
7.965199000000e+01 7.954000000000e-03
3.738672000000e+01 1.495500000000e-02
1.800194000000e+01 2.247200000000e-02
8.724371000000e+00 1.620500000000e-02
3.857715000000e+00 -2.355000000000e-02
1.815686000000e+00 -8.012000000000e-02
8.382540000000e-01 -1.129210000000e-01})
(type: [am = S]
{exp coef:0} = {
3.819350000000e-01 1.000000000000e+00})
(type: [am = S]
{exp coef:0} = {
7.167900000000e-02 1.000000000000e+00})
(type: [am = S]
{exp coef:0} = {
3.391600000000e-02 1.000000000000e+00})
(type: [am = S]
{exp coef:0} = {
1.652500000000e-02 1.000000000000e+00})
(type: [am = S]
{exp coef:0} = {
5.100000000000e-03 1.000000000000e+00})
(type: [(am = P puream = 1)]
{exp coef:0} = {
1.119578000000e+03 1.620000000000e-04
2.653239000000e+02 1.408000000000e-03
8.599553000000e+01 7.586000000000e-03
3.253759000000e+01 2.961500000000e-02
1.351565000000e+01 8.847700000000e-02
5.966856000000e+00 1.955190000000e-01
2.700045000000e+00 3.066210000000e-01
1.218512000000e+00 3.412420000000e-01
5.421870000000e-01 2.296900000000e-01})
(type: [(am = P puream = 1)]
{exp coef:0} = {
1.119578000000e+03 -1.600000000000e-05
2.653239000000e+02 -1.400000000000e-04
8.599553000000e+01 -7.540000000000e-04
3.253759000000e+01 -2.968000000000e-03
1.351565000000e+01 -8.919000000000e-03
5.966856000000e+00 -2.002900000000e-02
2.700045000000e+00 -3.138000000000e-02
1.218512000000e+00 -3.648900000000e-02
5.421870000000e-01 -2.962500000000e-02})
(type: [(am = P puream = 1)]
{exp coef:0} = {
2.274130000000e-01 1.000000000000e+00})
(type: [(am = P puream = 1)]
{exp coef:0} = {
1.330400000000e-01 1.000000000000e+00})
(type: [(am = P puream = 1)]
{exp coef:0} = {
5.757700000000e-02 1.000000000000e+00})
(type: [(am = P puream = 1)]
{exp coef:0} = {
2.597100000000e-02 1.000000000000e+00})
(type: [(am = P puream = 1)]
{exp coef:0} = {
1.190100000000e-02 1.000000000000e+00})
(type: [(am = P puream = 1)]
{exp coef:0} = {
5.500000000000e-03 1.000000000000e+00})
(type: [(am = D puream = 1)]
{exp coef:0} = {
1.522314000000e+00 1.000000000000e+00})
(type: [(am = D puream = 1)]
{exp coef:0} = {
2.353140000000e-01 1.000000000000e+00})
(type: [(am = D puream = 1)]
{exp coef:0} = {
1.361410000000e-01 1.000000000000e+00})
(type: [(am = D puream = 1)]
{exp coef:0} = {
7.876400000000e-02 1.000000000000e+00})
(type: [(am = D puream = 1)]
{exp coef:0} = {
4.556900000000e-02 1.000000000000e+00})
(type: [(am = F puream = 1)]
{exp coef:0} = {
1.811270000000e-01 1.000000000000e+00})
(type: [(am = F puream = 1)]
{exp coef:0} = {
1.092000000000e-01 1.000000000000e+00})
(type: [(am = F puream = 1)]
{exp coef:0} = {
6.583600000000e-02 1.000000000000e+00})
(type: [(am = G puream = 1)]
{exp coef:0} = {
1.578580000000e-01 1.000000000000e+00})
(type: [(am = G puream = 1)]
{exp coef:0} = {
9.160700000000e-02 1.000000000000e+00})
]
basis:magnesium:"cc-pVQZ-F12": [
(type: [am = S]
{exp coef:0} = {
2.968000000000e+06 2.000000000000e-06
4.443000000000e+05 1.530000000000e-05
1.011000000000e+05 8.070000000000e-05
2.864000000000e+04 3.408000000000e-04
9.343000000000e+03 1.241900000000e-03
3.373000000000e+03 4.041200000000e-03
1.316000000000e+03 1.197970000000e-02
5.458000000000e+02 3.242530000000e-02
2.381000000000e+02 7.893320000000e-02
1.082000000000e+02 1.665750000000e-01
5.080000000000e+01 2.828710000000e-01
2.448000000000e+01 3.318900000000e-01
1.193000000000e+01 2.032870000000e-01
5.543000000000e+00 3.828970000000e-02
2.675000000000e+00 3.089000000000e-04
1.263000000000e+00 1.389100000000e-03})
(type: [am = S]
{exp coef:0} = {
2.968000000000e+06 -5.000000000000e-07
4.443000000000e+05 -3.900000000000e-06
1.011000000000e+05 -2.040000000000e-05
2.864000000000e+04 -8.620000000000e-05
9.343000000000e+03 -3.142000000000e-04
3.373000000000e+03 -1.025800000000e-03
1.316000000000e+03 -3.058200000000e-03
5.458000000000e+02 -8.410600000000e-03
2.381000000000e+02 -2.112020000000e-02
1.082000000000e+02 -4.768820000000e-02
5.080000000000e+01 -9.241190000000e-02
2.448000000000e+01 -1.425480000000e-01
1.193000000000e+01 -1.261680000000e-01
5.543000000000e+00 7.152820000000e-02
2.675000000000e+00 3.830390000000e-01
1.263000000000e+00 4.901330000000e-01})
(type: [am = S]
{exp coef:0} = {
2.968000000000e+06 1.000000000000e-07
4.443000000000e+05 7.000000000000e-07
1.011000000000e+05 3.900000000000e-06
2.864000000000e+04 1.660000000000e-05
9.343000000000e+03 6.060000000000e-05
3.373000000000e+03 1.973000000000e-04
1.316000000000e+03 5.909000000000e-04
5.458000000000e+02 1.619000000000e-03
2.381000000000e+02 4.097600000000e-03
1.082000000000e+02 9.229900000000e-03
5.080000000000e+01 1.821680000000e-02
2.448000000000e+01 2.828840000000e-02
1.193000000000e+01 2.650590000000e-02
5.543000000000e+00 -1.720530000000e-02
2.675000000000e+00 -8.859170000000e-02
1.263000000000e+00 -1.638710000000e-01})
(type: [am = S]
{exp coef:0} = {
5.883000000000e-01 1.000000000000e+00})
(type: [am = S]
{exp coef:0} = {
1.496000000000e-01 1.000000000000e+00})
(type: [am = S]
{exp coef:0} = {
6.700000000000e-02 1.000000000000e+00})
(type: [am = S]
{exp coef:0} = {
2.952000000000e-02 1.000000000000e+00})
(type: [am = S]
{exp coef:0} = {
1.080000000000e-02 1.000000000000e+00})
(type: [(am = P puream = 1)]
{exp coef:0} = {
1.441000000000e+03 1.524000000000e-04
3.414000000000e+02 1.327600000000e-03
1.107000000000e+02 7.219400000000e-03
4.197000000000e+01 2.852050000000e-02
1.749000000000e+01 8.653460000000e-02
7.753000000000e+00 1.949500000000e-01
3.534000000000e+00 3.120510000000e-01
1.614000000000e+00 3.484760000000e-01
7.299000000000e-01 2.188860000000e-01})
(type: [(am = P puream = 1)]
{exp coef:0} = {
1.441000000000e+03 -2.410000000000e-05
3.414000000000e+02 -2.108000000000e-04
1.107000000000e+02 -1.145300000000e-03
4.197000000000e+01 -4.564200000000e-03
1.749000000000e+01 -1.396030000000e-02
7.753000000000e+00 -3.211050000000e-02
3.534000000000e+00 -5.162170000000e-02
1.614000000000e+00 -6.137130000000e-02
7.299000000000e-01 -4.424650000000e-02})
(type: [(am = P puream = 1)]
{exp coef:0} = {
3.029000000000e-01 1.000000000000e+00})
(type: [(am = P puream = 1)]
{exp coef:0} = {
1.583000000000e-01 1.000000000000e+00})
(type: [(am = P puream = 1)]
{exp coef:0} = {
8.190000000000e-02 1.000000000000e+00})
(type: [(am = P puream = 1)]
{exp coef:0} = {
4.123000000000e-02 1.000000000000e+00})
(type: [(am = P puream = 1)]
{exp coef:0} = {
1.988000000000e-02 1.000000000000e+00})
(type: [(am = P puream = 1)]
{exp coef:0} = {
7.100000000000e-03 1.000000000000e+00})
(type: [(am = D puream = 1)]
{exp coef:0} = {
2.043044000000e+00 1.000000000000e+00})
(type: [(am = D puream = 1)]
{exp coef:0} = {
3.561520000000e-01 1.000000000000e+00})
(type: [(am = D puream = 1)]
{exp coef:0} = {
2.040720000000e-01 1.000000000000e+00})
(type: [(am = D puream = 1)]
{exp coef:0} = {
1.169320000000e-01 1.000000000000e+00})
(type: [(am = D puream = 1)]
{exp coef:0} = {
6.700100000000e-02 1.000000000000e+00})
(type: [(am = F puream = 1)]
{exp coef:0} = {
3.323210000000e-01 1.000000000000e+00})
(type: [(am = F puream = 1)]
{exp coef:0} = {
1.782230000000e-01 1.000000000000e+00})
(type: [(am = F puream = 1)]
{exp coef:0} = {
9.431600000000e-02 1.000000000000e+00})
(type: [(am = G puream = 1)]
{exp coef:0} = {
2.675410000000e-01 1.000000000000e+00})
(type: [(am = G puream = 1)]
{exp coef:0} = {
1.341470000000e-01 1.000000000000e+00})
]
basis:aluminum:"cc-pVQZ-F12": [
(type: [am = S]
{exp coef:0} = {
3.269000000000e+06 2.139620000000e-06
4.894000000000e+05 1.662640000000e-05
1.114000000000e+05 8.751680000000e-05
3.156000000000e+04 3.689900000000e-04
1.032000000000e+04 1.339030000000e-03
3.731000000000e+03 4.356360000000e-03
1.456000000000e+03 1.289550000000e-02
6.041000000000e+02 3.482010000000e-02
2.635000000000e+02 8.435300000000e-02
1.198000000000e+02 1.759070000000e-01
5.632000000000e+01 2.920910000000e-01
2.719000000000e+01 3.282200000000e-01
1.326000000000e+01 1.869270000000e-01
6.052000000000e+00 3.104300000000e-02
2.981000000000e+00 -5.089220000000e-04
1.476000000000e+00 1.488360000000e-03
7.334000000000e-01 -2.782410000000e-04
2.447000000000e-01 1.187520000000e-04
1.088000000000e-01 -6.615000000000e-05
4.672000000000e-02 1.759540000000e-05})
(type: [am = S]
{exp coef:0} = {
3.269000000000e+06 -5.560260000000e-07
4.894000000000e+05 -4.323030000000e-06
1.114000000000e+05 -2.274130000000e-05
3.156000000000e+04 -9.601160000000e-05
1.032000000000e+04 -3.483760000000e-04
3.731000000000e+03 -1.138360000000e-03
1.456000000000e+03 -3.387440000000e-03
6.041000000000e+02 -9.315050000000e-03
2.635000000000e+02 -2.330230000000e-02
1.198000000000e+02 -5.234860000000e-02
5.632000000000e+01 -9.994990000000e-02
2.719000000000e+01 -1.505600000000e-01
1.326000000000e+01 -1.191210000000e-01
6.052000000000e+00 1.080910000000e-01
2.981000000000e+00 4.111290000000e-01
1.476000000000e+00 4.572140000000e-01
7.334000000000e-01 1.759380000000e-01
2.447000000000e-01 7.706100000000e-03
1.088000000000e-01 -1.661680000000e-03
4.672000000000e-02 4.453470000000e-04})
(type: [am = S]
{exp coef:0} = {
3.269000000000e+06 1.284230000000e-07
4.894000000000e+05 9.975140000000e-07
1.114000000000e+05 5.254800000000e-06
3.156000000000e+04 2.214500000000e-05
1.032000000000e+04 8.054640000000e-05
3.731000000000e+03 2.625060000000e-04
1.456000000000e+03 7.842200000000e-04
6.041000000000e+02 2.150390000000e-03
2.635000000000e+02 5.419740000000e-03
1.198000000000e+02 1.216860000000e-02
5.632000000000e+01 2.368230000000e-02
2.719000000000e+01 3.609370000000e-02
1.326000000000e+01 3.032840000000e-02
6.052000000000e+00 -3.090340000000e-02
2.981000000000e+00 -1.191260000000e-01
1.476000000000e+00 -2.111450000000e-01
7.334000000000e-01 -1.579440000000e-01
2.447000000000e-01 3.390380000000e-01
1.088000000000e-01 6.130970000000e-01
4.672000000000e-02 2.351680000000e-01})
(type: [am = S]
{exp coef:0} = {
7.334000000000e-01 1.000000000000e+00})
(type: [am = S]
{exp coef:0} = {
2.447000000000e-01 1.000000000000e+00})
(type: [am = S]
{exp coef:0} = {
1.088000000000e-01 1.000000000000e+00})
(type: [am = S]
{exp coef:0} = {
4.672000000000e-02 1.000000000000e+00})
(type: [am = S]
{exp coef:0} = {
1.770000000000e-02 1.000000000000e+00})
(type: [(am = P puream = 1)]
{exp coef:0} = {
1.461000000000e+03 2.086130000000e-04
3.462000000000e+02 1.810050000000e-03
1.122000000000e+02 9.734330000000e-03
4.251000000000e+01 3.782660000000e-02
1.772000000000e+01 1.108980000000e-01
7.852000000000e+00 2.342950000000e-01
3.571000000000e+00 3.452450000000e-01
1.637000000000e+00 3.314300000000e-01
7.382000000000e-01 1.470640000000e-01
2.577000000000e-01 1.214110000000e-02
9.773000000000e-02 -8.716390000000e-04
3.690000000000e-02 4.379570000000e-04})
(type: [(am = P puream = 1)]
{exp coef:0} = {
1.461000000000e+03 -3.719470000000e-05
3.462000000000e+02 -3.285630000000e-04
1.122000000000e+02 -1.742640000000e-03
4.251000000000e+01 -6.948280000000e-03
1.772000000000e+01 -2.028070000000e-02
7.852000000000e+00 -4.486570000000e-02
3.571000000000e+00 -6.432780000000e-02
1.637000000000e+00 -7.526660000000e-02
7.382000000000e-01 6.160080000000e-04
2.577000000000e-01 2.878190000000e-01
9.773000000000e-02 5.430300000000e-01
3.690000000000e-02 3.018650000000e-01})
(type: [(am = P puream = 1)]
{exp coef:0} = {
1.637000000000e+00 1.000000000000e+00})
(type: [(am = P puream = 1)]
{exp coef:0} = {
7.382000000000e-01 1.000000000000e+00})
(type: [(am = P puream = 1)]
{exp coef:0} = {
2.577000000000e-01 1.000000000000e+00})
(type: [(am = P puream = 1)]
{exp coef:0} = {
9.773000000000e-02 1.000000000000e+00})
(type: [(am = P puream = 1)]
{exp coef:0} = {
3.690000000000e-02 1.000000000000e+00})
(type: [(am = P puream = 1)]
{exp coef:0} = {
1.150000000000e-02 1.000000000000e+00})
(type: [(am = D puream = 1)]
{exp coef:0} = {
5.199400000000e+00 1.000000000000e+00})
(type: [(am = D puream = 1)]
{exp coef:0} = {
1.479200000000e+00 1.000000000000e+00})
(type: [(am = D puream = 1)]
{exp coef:0} = {
5.997000000000e-01 1.000000000000e+00})
(type: [(am = D puream = 1)]
{exp coef:0} = {
2.431000000000e-01 1.000000000000e+00})
(type: [(am = D puream = 1)]
{exp coef:0} = {
9.860000000000e-02 1.000000000000e+00})
(type: [(am = F puream = 1)]
{exp coef:0} = {
7.833000000000e-01 1.000000000000e+00})
(type: [(am = F puream = 1)]
{exp coef:0} = {
2.862000000000e-01 1.000000000000e+00})
(type: [(am = F puream = 1)]
{exp coef:0} = {
1.157000000000e-01 1.000000000000e+00})
(type: [(am = G puream = 1)]
{exp coef:0} = {
3.765000000000e-01 1.000000000000e+00})
(type: [(am = G puream = 1)]
{exp coef:0} = {
1.461000000000e-01 1.000000000000e+00})
]
basis:silicon:"cc-pVQZ-F12": [
(type: [am = S]
{exp coef:0} = {
3.948000000000e+06 2.037120000000e-06
5.911000000000e+05 1.583940000000e-05
1.345000000000e+05 8.335900000000e-05
3.812000000000e+04 3.513610000000e-04
1.246000000000e+04 1.276600000000e-03
4.504000000000e+03 4.151910000000e-03
1.758000000000e+03 1.230300000000e-02
7.291000000000e+02 3.331020000000e-02
3.180000000000e+02 8.098450000000e-02
1.446000000000e+02 1.702900000000e-01
6.797000000000e+01 2.868790000000e-01
3.282000000000e+01 3.303400000000e-01
1.603000000000e+01 1.966020000000e-01
7.396000000000e+00 3.545350000000e-02
3.661000000000e+00 -5.352040000000e-04
1.823000000000e+00 1.614650000000e-03
9.147000000000e-01 -3.727390000000e-04
3.393000000000e-01 1.462260000000e-04
1.500000000000e-01 -7.894460000000e-05
6.438000000000e-02 1.928010000000e-05})
(type: [am = S]
{exp coef:0} = {
3.948000000000e+06 -5.420850000000e-07
5.911000000000e+05 -4.216770000000e-06
1.345000000000e+05 -2.218130000000e-05
3.812000000000e+04 -9.360280000000e-05
1.246000000000e+04 -3.401160000000e-04
4.504000000000e+03 -1.110610000000e-03
1.758000000000e+03 -3.308780000000e-03
7.291000000000e+02 -9.116020000000e-03
3.180000000000e+02 -2.287900000000e-02
1.446000000000e+02 -5.171190000000e-02
6.797000000000e+01 -9.990910000000e-02
3.282000000000e+01 -1.527470000000e-01
1.603000000000e+01 -1.275080000000e-01
7.396000000000e+00 9.469630000000e-02
3.661000000000e+00 4.140360000000e-01
1.823000000000e+00 4.679340000000e-01
9.147000000000e-01 1.739270000000e-01
3.393000000000e-01 8.438950000000e-03
1.500000000000e-01 -9.980670000000e-04
6.438000000000e-02 3.620960000000e-04})
(type: [am = S]
{exp coef:0} = {
3.948000000000e+06 1.389070000000e-07
5.911000000000e+05 1.079530000000e-06
1.345000000000e+05 5.686280000000e-06
3.812000000000e+04 2.395370000000e-05
1.246000000000e+04 8.724090000000e-05
4.504000000000e+03 2.841630000000e-04
1.758000000000e+03 8.498400000000e-04
7.291000000000e+02 2.335270000000e-03
3.180000000000e+02 5.904660000000e-03
1.446000000000e+02 1.334610000000e-02
6.797000000000e+01 2.628890000000e-02
3.282000000000e+01 4.074260000000e-02
1.603000000000e+01 3.614760000000e-02
7.396000000000e+00 -3.039230000000e-02
3.661000000000e+00 -1.359610000000e-01
1.823000000000e+00 -2.501440000000e-01
9.147000000000e-01 -1.580500000000e-01
3.393000000000e-01 3.696550000000e-01
1.500000000000e-01 6.177180000000e-01
6.438000000000e-02 2.225140000000e-01})
(type: [am = S]
{exp coef:0} = {
9.147000000000e-01 1.000000000000e+00})
(type: [am = S]
{exp coef:0} = {
3.393000000000e-01 1.000000000000e+00})
(type: [am = S]
{exp coef:0} = {
1.500000000000e-01 1.000000000000e+00})
(type: [am = S]
{exp coef:0} = {
6.438000000000e-02 1.000000000000e+00})
(type: [am = S]
{exp coef:0} = {
2.600000000000e-02 1.000000000000e+00})
(type: [(am = P puream = 1)]
{exp coef:0} = {
1.780000000000e+03 2.012060000000e-04
4.218000000000e+02 1.749370000000e-03
1.367000000000e+02 9.481410000000e-03
5.181000000000e+01 3.723130000000e-02
2.160000000000e+01 1.107630000000e-01
9.563000000000e+00 2.379330000000e-01
4.350000000000e+00 3.536910000000e-01
2.006000000000e+00 3.288390000000e-01
9.205000000000e-01 1.323730000000e-01
3.500000000000e-01 1.033000000000e-02
1.381000000000e-01 -1.503050000000e-04
5.338000000000e-02 2.658090000000e-04})
(type: [(am = P puream = 1)]
{exp coef:0} = {
1.780000000000e+03 -4.271520000000e-05
4.218000000000e+02 -3.770390000000e-04
1.367000000000e+02 -2.022400000000e-03
5.181000000000e+01 -8.128330000000e-03
2.160000000000e+01 -2.422720000000e-02
9.563000000000e+00 -5.438250000000e-02
4.350000000000e+00 -7.990510000000e-02
2.006000000000e+00 -8.889580000000e-02
9.205000000000e-01 1.839970000000e-02
3.500000000000e-01 3.350960000000e-01
1.381000000000e-01 5.322880000000e-01
5.338000000000e-02 2.543740000000e-01})
(type: [(am = P puream = 1)]
{exp coef:0} = {
2.006000000000e+00 1.000000000000e+00})
(type: [(am = P puream = 1)]
{exp coef:0} = {
9.205000000000e-01 1.000000000000e+00})
(type: [(am = P puream = 1)]
{exp coef:0} = {
3.500000000000e-01 1.000000000000e+00})
(type: [(am = P puream = 1)]
{exp coef:0} = {
1.381000000000e-01 1.000000000000e+00})
(type: [(am = P puream = 1)]
{exp coef:0} = {
5.338000000000e-02 1.000000000000e+00})
(type: [(am = P puream = 1)]
{exp coef:0} = {
1.920000000000e-02 1.000000000000e+00})
(type: [(am = D puream = 1)]
{exp coef:0} = {
6.858000000000e+00 1.000000000000e+00})
(type: [(am = D puream = 1)]
{exp coef:0} = {
1.955700000000e+00 1.000000000000e+00})
(type: [(am = D puream = 1)]
{exp coef:0} = {
7.786000000000e-01 1.000000000000e+00})
(type: [(am = D puream = 1)]
{exp coef:0} = {
3.100000000000e-01 1.000000000000e+00})
(type: [(am = D puream = 1)]
{exp coef:0} = {
1.234000000000e-01 1.000000000000e+00})
(type: [(am = F puream = 1)]
{exp coef:0} = {
1.178500000000e+00 1.000000000000e+00})
(type: [(am = F puream = 1)]
{exp coef:0} = {
3.987000000000e-01 1.000000000000e+00})
(type: [(am = F puream = 1)]
{exp coef:0} = {
1.632000000000e-01 1.000000000000e+00})
(type: [(am = G puream = 1)]
{exp coef:0} = {
5.466000000000e-01 1.000000000000e+00})
(type: [(am = G puream = 1)]
{exp coef:0} = {
2.134000000000e-01 1.000000000000e+00})
]
basis:phosphorus:"cc-pVQZ-F12": [
(type: [am = S]
{exp coef:0} = {
4.666000000000e+06 1.967590000000e-06
6.986000000000e+05 1.529630000000e-05
1.590000000000e+05 8.048260000000e-05
4.504000000000e+04 3.397370000000e-04
1.472000000000e+04 1.232910000000e-03
5.323000000000e+03 4.013450000000e-03
2.076000000000e+03 1.191240000000e-02
8.611000000000e+02 3.225110000000e-02
3.757000000000e+02 7.866430000000e-02
1.708000000000e+02 1.664580000000e-01
8.029000000000e+01 2.830390000000e-01
3.877000000000e+01 3.319420000000e-01
1.893000000000e+01 2.033520000000e-01
8.796000000000e+00 3.831830000000e-02
4.358000000000e+00 -3.847200000000e-04
2.174000000000e+00 1.587440000000e-03
1.095000000000e+00 -4.133800000000e-04
4.400000000000e-01 1.528370000000e-04
1.945000000000e-01 -8.270310000000e-05
8.376000000000e-02 1.841330000000e-05})
(type: [am = S]
{exp coef:0} = {
4.666000000000e+06 -5.341530000000e-07
6.986000000000e+05 -4.154220000000e-06
1.590000000000e+05 -2.184840000000e-05
4.504000000000e+04 -9.232720000000e-05
1.472000000000e+04 -3.351090000000e-04
5.323000000000e+03 -1.095080000000e-03
2.076000000000e+03 -3.267980000000e-03
8.611000000000e+02 -8.999510000000e-03
3.757000000000e+02 -2.265280000000e-02
1.708000000000e+02 -5.146500000000e-02
8.029000000000e+01 -1.001860000000e-01
3.877000000000e+01 -1.550750000000e-01
1.893000000000e+01 -1.338180000000e-01
8.796000000000e+00 8.783610000000e-02
4.358000000000e+00 4.225810000000e-01
2.174000000000e+00 4.748990000000e-01
1.095000000000e+00 1.650020000000e-01
4.400000000000e-01 8.468620000000e-03
1.945000000000e-01 -2.917620000000e-04
8.376000000000e-02 2.853410000000e-04})
(type: [am = S]
{exp coef:0} = {
4.666000000000e+06 1.467760000000e-07
6.986000000000e+05 1.140640000000e-06
1.590000000000e+05 6.005680000000e-06
4.504000000000e+04 2.534270000000e-05
1.472000000000e+04 9.216060000000e-05
5.323000000000e+03 3.005630000000e-04
2.076000000000e+03 8.998840000000e-04
8.611000000000e+02 2.473540000000e-03
3.757000000000e+02 6.268120000000e-03
1.708000000000e+02 1.425980000000e-02
8.029000000000e+01 2.827690000000e-02
3.877000000000e+01 4.451240000000e-02
1.893000000000e+01 4.072170000000e-02
8.796000000000e+00 -3.019080000000e-02
4.358000000000e+00 -1.528940000000e-01
2.174000000000e+00 -2.824110000000e-01
1.095000000000e+00 -1.485220000000e-01
4.400000000000e-01 3.935630000000e-01
1.945000000000e-01 6.173270000000e-01
8.376000000000e-02 2.146120000000e-01})
(type: [am = S]
{exp coef:0} = {
1.095000000000e+00 1.000000000000e+00})
(type: [am = S]
{exp coef:0} = {
4.400000000000e-01 1.000000000000e+00})
(type: [am = S]
{exp coef:0} = {
1.945000000000e-01 1.000000000000e+00})
(type: [am = S]
{exp coef:0} = {
8.376000000000e-02 1.000000000000e+00})
(type: [am = S]
{exp coef:0} = {
3.350000000000e-02 1.000000000000e+00})
(type: [(am = P puream = 1)]
{exp coef:0} = {
2.010000000000e+03 2.159150000000e-04
4.763000000000e+02 1.875360000000e-03
1.544000000000e+02 1.017420000000e-02
5.851000000000e+01 3.998560000000e-02
2.440000000000e+01 1.185630000000e-01
1.080000000000e+01 2.518160000000e-01
4.913000000000e+00 3.665650000000e-01
2.269000000000e+00 3.161770000000e-01
1.043000000000e+00 1.047000000000e-01
4.313000000000e-01 6.098620000000e-03
1.767000000000e-01 5.020770000000e-04
7.009000000000e-02 -2.956180000000e-05})
(type: [(am = P puream = 1)]
{exp coef:0} = {
2.010000000000e+03 -5.114440000000e-05
4.763000000000e+02 -4.483560000000e-04
1.544000000000e+02 -2.423400000000e-03
5.851000000000e+01 -9.698260000000e-03
2.440000000000e+01 -2.909650000000e-02
1.080000000000e+01 -6.417260000000e-02
4.913000000000e+00 -9.450710000000e-02
2.269000000000e+00 -9.347000000000e-02
1.043000000000e+00 5.206110000000e-02
4.313000000000e-01 3.746240000000e-01
1.767000000000e-01 5.090970000000e-01
7.009000000000e-02 2.151160000000e-01})
(type: [(am = P puream = 1)]
{exp coef:0} = {
2.269000000000e+00 1.000000000000e+00})
(type: [(am = P puream = 1)]
{exp coef:0} = {
1.043000000000e+00 1.000000000000e+00})
(type: [(am = P puream = 1)]
{exp coef:0} = {
4.313000000000e-01 1.000000000000e+00})
(type: [(am = P puream = 1)]
{exp coef:0} = {
1.767000000000e-01 1.000000000000e+00})
(type: [(am = P puream = 1)]
{exp coef:0} = {
7.009000000000e-02 1.000000000000e+00})
(type: [(am = P puream = 1)]
{exp coef:0} = {
2.530000000000e-02 1.000000000000e+00})
(type: [(am = D puream = 1)]
{exp coef:0} = {
9.522100000000e+00 1.000000000000e+00})
(type: [(am = D puream = 1)]
{exp coef:0} = {
2.799400000000e+00 1.000000000000e+00})
(type: [(am = D puream = 1)]
{exp coef:0} = {
1.079900000000e+00 1.000000000000e+00})
(type: [(am = D puream = 1)]
{exp coef:0} = {
4.166000000000e-01 1.000000000000e+00})
(type: [(am = D puream = 1)]
{exp coef:0} = {
1.607000000000e-01 1.000000000000e+00})
(type: [(am = F puream = 1)]
{exp coef:0} = {
1.505400000000e+00 1.000000000000e+00})
(type: [(am = F puream = 1)]
{exp coef:0} = {
4.902000000000e-01 1.000000000000e+00})
(type: [(am = F puream = 1)]
{exp coef:0} = {
2.026000000000e-01 1.000000000000e+00})
(type: [(am = G puream = 1)]
{exp coef:0} = {
6.431000000000e-01 1.000000000000e+00})
(type: [(am = G puream = 1)]
{exp coef:0} = {
2.573000000000e-01 1.000000000000e+00})
]
basis:sulfur:"cc-pVQZ-F12": [
(type: [am = S]
{exp coef:0} = {
5.481000000000e+06 1.893380000000e-06
8.206000000000e+05 1.472110000000e-05
1.867000000000e+05 7.750840000000e-05
5.288000000000e+04 3.272240000000e-04
1.725000000000e+04 1.193650000000e-03
6.226000000000e+03 3.883930000000e-03
2.429000000000e+03 1.153360000000e-02
1.007000000000e+03 3.127480000000e-02
4.395000000000e+02 7.643870000000e-02
1.998000000000e+02 1.627000000000e-01
9.392000000000e+01 2.793280000000e-01
4.534000000000e+01 3.331450000000e-01
2.215000000000e+01 2.098360000000e-01
1.034000000000e+01 4.159740000000e-02
5.119000000000e+00 -4.505520000000e-04
2.553000000000e+00 1.688550000000e-03
1.282000000000e+00 -5.172360000000e-04
5.450000000000e-01 1.887730000000e-04
2.411000000000e-01 -9.977340000000e-05
1.035000000000e-01 2.090200000000e-05})
(type: [am = S]
{exp coef:0} = {
5.481000000000e+06 -5.229120000000e-07
8.206000000000e+05 -4.066900000000e-06
1.867000000000e+05 -2.140650000000e-05
5.288000000000e+04 -9.045400000000e-05
1.725000000000e+04 -3.300800000000e-04
6.226000000000e+03 -1.077820000000e-03
2.429000000000e+03 -3.218740000000e-03
1.007000000000e+03 -8.872170000000e-03
4.395000000000e+02 -2.237710000000e-02
1.998000000000e+02 -5.105770000000e-02
9.392000000000e+01 -1.002250000000e-01
4.534000000000e+01 -1.567950000000e-01
2.215000000000e+01 -1.397480000000e-01
1.034000000000e+01 8.100590000000e-02
5.119000000000e+00 4.308830000000e-01
2.553000000000e+00 4.816880000000e-01
1.282000000000e+00 1.568620000000e-01
5.450000000000e-01 7.888140000000e-03
2.411000000000e-01 3.935330000000e-04
1.035000000000e-01 2.237570000000e-04})
(type: [am = S]
{exp coef:0} = {
5.481000000000e+06 1.518230000000e-07
8.206000000000e+05 1.180080000000e-06
1.867000000000e+05 6.216990000000e-06
5.288000000000e+04 2.624050000000e-05
1.725000000000e+04 9.590400000000e-05
6.226000000000e+03 3.126780000000e-04
2.429000000000e+03 9.363220000000e-04
1.007000000000e+03 2.577900000000e-03
4.395000000000e+02 6.541210000000e-03
1.998000000000e+02 1.496300000000e-02
9.392000000000e+01 2.989400000000e-02
4.534000000000e+01 4.769460000000e-02
2.215000000000e+01 4.495560000000e-02
1.034000000000e+01 -2.930090000000e-02
5.119000000000e+00 -1.689160000000e-01
2.553000000000e+00 -3.110140000000e-01
1.282000000000e+00 -1.364910000000e-01
5.450000000000e-01 4.231950000000e-01
2.411000000000e-01 6.138880000000e-01
1.035000000000e-01 2.004730000000e-01})
(type: [am = S]
{exp coef:0} = {
1.282000000000e+00 1.000000000000e+00})
(type: [am = S]
{exp coef:0} = {
5.450000000000e-01 1.000000000000e+00})
(type: [am = S]
{exp coef:0} = {
2.411000000000e-01 1.000000000000e+00})
(type: [am = S]
{exp coef:0} = {
1.035000000000e-01 1.000000000000e+00})
(type: [am = S]
{exp coef:0} = {
4.200000000000e-02 1.000000000000e+00})
(type: [(am = P puream = 1)]
{exp coef:0} = {
2.200000000000e+03 2.390490000000e-04
5.214000000000e+02 2.076860000000e-03
1.690000000000e+02 1.123630000000e-02
6.405000000000e+01 4.406900000000e-02
2.672000000000e+01 1.291680000000e-01
1.183000000000e+01 2.690830000000e-01
5.378000000000e+00 3.786110000000e-01
2.482000000000e+00 2.967790000000e-01
1.116000000000e+00 7.796760000000e-02
4.848000000000e-01 2.051930000000e-03
2.006000000000e-01 1.436020000000e-03
7.951000000000e-02 -5.960000000000e-05})
(type: [(am = P puream = 1)]
{exp coef:0} = {
2.200000000000e+03 -6.085620000000e-05
5.214000000000e+02 -5.304190000000e-04
1.690000000000e+02 -2.879150000000e-03
6.405000000000e+01 -1.143970000000e-02
2.672000000000e+01 -3.427640000000e-02
1.183000000000e+01 -7.358110000000e-02
5.378000000000e+00 -1.077820000000e-01
2.482000000000e+00 -8.797690000000e-02
1.116000000000e+00 1.082610000000e-01
4.848000000000e-01 4.070820000000e-01
2.006000000000e-01 4.689940000000e-01
7.951000000000e-02 1.848770000000e-01})
(type: [(am = P puream = 1)]
{exp coef:0} = {
2.482000000000e+00 1.000000000000e+00})
(type: [(am = P puream = 1)]
{exp coef:0} = {
1.116000000000e+00 1.000000000000e+00})
(type: [(am = P puream = 1)]
{exp coef:0} = {
4.848000000000e-01 1.000000000000e+00})
(type: [(am = P puream = 1)]
{exp coef:0} = {
2.006000000000e-01 1.000000000000e+00})
(type: [(am = P puream = 1)]
{exp coef:0} = {
7.951000000000e-02 1.000000000000e+00})
(type: [(am = P puream = 1)]
{exp coef:0} = {
2.940000000000e-02 1.000000000000e+00})
(type: [(am = D puream = 1)]
{exp coef:0} = {
1.260500000000e+01 1.000000000000e+00})
(type: [(am = D puream = 1)]
{exp coef:0} = {
3.685200000000e+00 1.000000000000e+00})
(type: [(am = D puream = 1)]
{exp coef:0} = {
1.371500000000e+00 1.000000000000e+00})
(type: [(am = D puream = 1)]
{exp coef:0} = {
5.104000000000e-01 1.000000000000e+00})
(type: [(am = D puream = 1)]
{exp coef:0} = {
1.900000000000e-01 1.000000000000e+00})
(type: [(am = F puream = 1)]
{exp coef:0} = {
3.774900000000e+00 1.000000000000e+00})
(type: [(am = F puream = 1)]
{exp coef:0} = {
7.091000000000e-01 1.000000000000e+00})
(type: [(am = F puream = 1)]
{exp coef:0} = {
2.737000000000e-01 1.000000000000e+00})
(type: [(am = G puream = 1)]
{exp coef:0} = {
7.756000000000e-01 1.000000000000e+00})
(type: [(am = G puream = 1)]
{exp coef:0} = {
3.116000000000e-01 1.000000000000e+00})
]
basis:chlorine:"cc-pVQZ-F12": [
(type: [am = S]
{exp coef:0} = {
6.410000000000e+06 1.813500000000e-06
9.596000000000e+05 1.411180000000e-05
2.183000000000e+05 7.424060000000e-05
6.181000000000e+04 3.141310000000e-04
2.014000000000e+04 1.146420000000e-03
7.264000000000e+03 3.738880000000e-03
2.832000000000e+03 1.109460000000e-02
1.175000000000e+03 3.011520000000e-02
5.126000000000e+02 7.391450000000e-02
2.330000000000e+02 1.582580000000e-01
1.095000000000e+02 2.747530000000e-01
5.286000000000e+01 3.340660000000e-01
2.584000000000e+01 2.175890000000e-01
1.217000000000e+01 4.572780000000e-02
6.030000000000e+00 -1.347390000000e-04
3.012000000000e+00 1.639330000000e-03
1.511000000000e+00 -5.222120000000e-04
6.604000000000e-01 1.806480000000e-04
2.926000000000e-01 -9.993120000000e-05
1.254000000000e-01 1.921750000000e-05})
(type: [am = S]
{exp coef:0} = {
6.410000000000e+06 -5.083030000000e-07
9.596000000000e+05 -3.956330000000e-06
2.183000000000e+05 -2.080950000000e-05
6.181000000000e+04 -8.811750000000e-05
2.014000000000e+04 -3.217420000000e-04
7.264000000000e+03 -1.052770000000e-03
2.832000000000e+03 -3.141830000000e-03
1.175000000000e+03 -8.663630000000e-03
5.126000000000e+02 -2.193530000000e-02
2.330000000000e+02 -5.025840000000e-02
1.095000000000e+02 -9.954140000000e-02
5.286000000000e+01 -1.576470000000e-01
2.584000000000e+01 -1.460240000000e-01
1.217000000000e+01 6.922300000000e-02
6.030000000000e+00 4.304120000000e-01
3.012000000000e+00 4.908020000000e-01
1.511000000000e+00 1.583900000000e-01
6.604000000000e-01 8.398850000000e-03
2.926000000000e-01 7.684840000000e-04
1.254000000000e-01 2.271460000000e-04})
(type: [am = S]
{exp coef:0} = {
6.410000000000e+06 1.538080000000e-07
9.596000000000e+05 1.196540000000e-06
2.183000000000e+05 6.298280000000e-06
6.181000000000e+04 2.664500000000e-05
2.014000000000e+04 9.741620000000e-05
7.264000000000e+03 3.183600000000e-04
2.832000000000e+03 9.523770000000e-04
1.175000000000e+03 2.624300000000e-03
5.126000000000e+02 6.681600000000e-03
2.330000000000e+02 1.535950000000e-02
1.095000000000e+02 3.094320000000e-02
5.286000000000e+01 5.006380000000e-02
2.584000000000e+01 4.897820000000e-02
1.217000000000e+01 -2.608070000000e-02
6.030000000000e+00 -1.784260000000e-01
3.012000000000e+00 -3.323240000000e-01
1.511000000000e+00 -1.320080000000e-01
6.604000000000e-01 4.405560000000e-01
2.926000000000e-01 6.118910000000e-01
1.254000000000e-01 1.931720000000e-01})
(type: [am = S]
{exp coef:0} = {
1.511000000000e+00 1.000000000000e+00})
(type: [am = S]
{exp coef:0} = {
6.604000000000e-01 1.000000000000e+00})
(type: [am = S]
{exp coef:0} = {
2.926000000000e-01 1.000000000000e+00})
(type: [am = S]
{exp coef:0} = {
1.254000000000e-01 1.000000000000e+00})
(type: [am = S]
{exp coef:0} = {
4.790000000000e-02 1.000000000000e+00})
(type: [(am = P puream = 1)]
{exp coef:0} = {
2.548000000000e+03 2.357020000000e-04
6.037000000000e+02 2.051580000000e-03
1.956000000000e+02 1.115430000000e-02
7.415000000000e+01 4.398160000000e-02
3.094000000000e+01 1.299940000000e-01
1.369000000000e+01 2.729590000000e-01
6.229000000000e+00 3.836900000000e-01
2.878000000000e+00 2.918700000000e-01
1.282000000000e+00 7.044640000000e-02
5.641000000000e-01 1.287610000000e-03
2.348000000000e-01 1.826230000000e-03
9.312000000000e-02 1.990130000000e-05})
(type: [(am = P puream = 1)]
{exp coef:0} = {
2.548000000000e+03 -6.354100000000e-05
6.037000000000e+02 -5.532590000000e-04
1.956000000000e+02 -3.027950000000e-03
7.415000000000e+01 -1.206500000000e-02
3.094000000000e+01 -3.663480000000e-02
1.369000000000e+01 -7.907640000000e-02
6.229000000000e+00 -1.174220000000e-01
2.878000000000e+00 -8.609430000000e-02
1.282000000000e+00 1.403080000000e-01
5.641000000000e-01 4.223360000000e-01
2.348000000000e-01 4.463630000000e-01
9.312000000000e-02 1.666340000000e-01})
(type: [(am = P puream = 1)]
{exp coef:0} = {
2.878000000000e+00 1.000000000000e+00})
(type: [(am = P puream = 1)]
{exp coef:0} = {
1.282000000000e+00 1.000000000000e+00})
(type: [(am = P puream = 1)]
{exp coef:0} = {
5.641000000000e-01 1.000000000000e+00})
(type: [(am = P puream = 1)]
{exp coef:0} = {
2.348000000000e-01 1.000000000000e+00})
(type: [(am = P puream = 1)]
{exp coef:0} = {
9.312000000000e-02 1.000000000000e+00})
(type: [(am = P puream = 1)]
{exp coef:0} = {
3.480000000000e-02 1.000000000000e+00})
(type: [(am = D puream = 1)]
{exp coef:0} = {
1.538500000000e+01 1.000000000000e+00})
(type: [(am = D puream = 1)]
{exp coef:0} = {
4.291700000000e+00 1.000000000000e+00})
(type: [(am = D puream = 1)]
{exp coef:0} = {
1.599000000000e+00 1.000000000000e+00})
(type: [(am = D puream = 1)]
{exp coef:0} = {
5.957000000000e-01 1.000000000000e+00})
(type: [(am = D puream = 1)]
{exp coef:0} = {
2.220000000000e-01 1.000000000000e+00})
(type: [(am = F puream = 1)]
{exp coef:0} = {
4.621200000000e+00 1.000000000000e+00})
(type: [(am = F puream = 1)]
{exp coef:0} = {
8.242000000000e-01 1.000000000000e+00})
(type: [(am = F puream = 1)]
{exp coef:0} = {
3.178000000000e-01 1.000000000000e+00})
(type: [(am = G puream = 1)]
{exp coef:0} = {
8.864000000000e-01 1.000000000000e+00})
(type: [(am = G puream = 1)]
{exp coef:0} = {
3.618000000000e-01 1.000000000000e+00})
]
basis:argon:"cc-pVQZ-F12": [
(type: [am = S]
{exp coef:0} = {
7.401000000000e+06 1.750180000000e-06
1.108000000000e+06 1.361470000000e-05
2.521000000000e+05 7.162970000000e-05
7.138000000000e+04 3.030350000000e-04
2.326000000000e+04 1.106100000000e-03
8.390000000000e+03 3.606790000000e-03
3.271000000000e+03 1.071340000000e-02
1.357000000000e+03 2.910740000000e-02
5.920000000000e+02 7.166170000000e-02
2.691000000000e+02 1.541440000000e-01
1.265000000000e+02 2.704230000000e-01
6.103000000000e+01 3.348620000000e-01
2.986000000000e+01 2.243470000000e-01
1.417000000000e+01 5.000810000000e-02
7.022000000000e+00 1.497260000000e-04
3.511000000000e+00 2.103690000000e-03
1.758000000000e+00 -4.107260000000e-04
7.841000000000e-01 -8.886170000000e-04
3.480000000000e-01 -1.562360000000e-03
1.491000000000e-01 -4.268380000000e-04})
(type: [am = S]
{exp coef:0} = {
7.401000000000e+06 -5.204480000000e-07
1.108000000000e+06 -4.049090000000e-06
2.521000000000e+05 -2.130230000000e-05
7.138000000000e+04 -9.016860000000e-05
2.326000000000e+04 -3.293740000000e-04
8.390000000000e+03 -1.077150000000e-03
3.271000000000e+03 -3.218920000000e-03
1.357000000000e+03 -8.878450000000e-03
5.920000000000e+02 -2.255450000000e-02
2.691000000000e+02 -5.184530000000e-02
1.265000000000e+02 -1.037220000000e-01
6.103000000000e+01 -1.665950000000e-01
2.986000000000e+01 -1.601650000000e-01
1.417000000000e+01 6.236540000000e-02
7.022000000000e+00 4.655340000000e-01
3.511000000000e+00 5.815640000000e-01
1.758000000000e+00 1.913690000000e-01
7.841000000000e-01 -1.285660000000e-01
3.480000000000e-01 -1.832160000000e-01
1.491000000000e-01 -5.662660000000e-02})
(type: [am = S]
{exp coef:0} = {
7.401000000000e+06 2.303790000000e-09
1.108000000000e+06 1.742210000000e-08
2.521000000000e+05 9.553000000000e-08
7.138000000000e+04 3.836190000000e-07
2.326000000000e+04 1.505350000000e-06
8.390000000000e+03 4.586320000000e-06
3.271000000000e+03 1.550020000000e-05
1.357000000000e+03 4.066950000000e-05
5.920000000000e+02 1.313370000000e-04
2.691000000000e+02 3.326850000000e-04
1.265000000000e+02 1.066700000000e-03
6.103000000000e+01 2.572100000000e-03
2.986000000000e+01 4.835840000000e-03
1.417000000000e+01 -3.857280000000e-03
7.022000000000e+00 -4.761250000000e-02
3.511000000000e+00 -1.829570000000e-01
1.758000000000e+00 -7.328200000000e-02
7.841000000000e-01 4.348220000000e-01
3.480000000000e-01 5.817110000000e-01
1.491000000000e-01 1.793730000000e-01})
(type: [am = S]
{exp coef:0} = {
1.758000000000e+00 1.000000000000e+00})
(type: [am = S]
{exp coef:0} = {
7.841000000000e-01 1.000000000000e+00})
(type: [am = S]
{exp coef:0} = {
3.480000000000e-01 1.000000000000e+00})
(type: [am = S]
{exp coef:0} = {
1.491000000000e-01 1.000000000000e+00})
(type: [am = S]
{exp coef:0} = {
5.380000000000e-02 1.000000000000e+00})
(type: [(am = P puream = 1)]
{exp coef:0} = {
2.927000000000e+03 1.883380000000e-04
6.935000000000e+02 1.642880000000e-03
2.247000000000e+02 8.948930000000e-03
8.517000000000e+01 3.551110000000e-02
3.553000000000e+01 1.051470000000e-01
1.573000000000e+01 2.215520000000e-01
7.165000000000e+00 3.084120000000e-01
3.322000000000e+00 2.322030000000e-01
1.478000000000e+00 1.244780000000e-01
6.552000000000e-01 1.683100000000e-01
2.751000000000e-01 1.682920000000e-01
1.097000000000e-01 5.979810000000e-02})
(type: [(am = P puream = 1)]
{exp coef:0} = {
2.927000000000e+03 -1.502070000000e-04
6.935000000000e+02 -1.309280000000e-03
2.247000000000e+02 -7.165010000000e-03
8.517000000000e+01 -2.857230000000e-02
3.553000000000e+01 -8.601580000000e-02
1.573000000000e+01 -1.839960000000e-01
7.165000000000e+00 -2.658440000000e-01
3.322000000000e+00 -1.887410000000e-01
1.478000000000e+00 1.253780000000e-01
6.552000000000e-01 3.972460000000e-01
2.751000000000e-01 3.946580000000e-01
1.097000000000e-01 1.419170000000e-01})
(type: [(am = P puream = 1)]
{exp coef:0} = {
3.322000000000e+00 1.000000000000e+00})
(type: [(am = P puream = 1)]
{exp coef:0} = {
1.478000000000e+00 1.000000000000e+00})
(type: [(am = P puream = 1)]
{exp coef:0} = {
6.552000000000e-01 1.000000000000e+00})
(type: [(am = P puream = 1)]
{exp coef:0} = {
2.751000000000e-01 1.000000000000e+00})
(type: [(am = P puream = 1)]
{exp coef:0} = {
1.097000000000e-01 1.000000000000e+00})
(type: [(am = P puream = 1)]
{exp coef:0} = {
4.020000000000e-02 1.000000000000e+00})
(type: [(am = D puream = 1)]
{exp coef:0} = {
1.902500000000e+01 1.000000000000e+00})
(type: [(am = D puream = 1)]
{exp coef:0} = {
5.363800000000e+00 1.000000000000e+00})
(type: [(am = D puream = 1)]
{exp coef:0} = {
1.968700000000e+00 1.000000000000e+00})
(type: [(am = D puream = 1)]
{exp coef:0} = {
7.226000000000e-01 1.000000000000e+00})
(type: [(am = D puream = 1)]
{exp coef:0} = {
2.652000000000e-01 1.000000000000e+00})
(type: [(am = F puream = 1)]
{exp coef:0} = {
6.661800000000e+00 1.000000000000e+00})
(type: [(am = F puream = 1)]
{exp coef:0} = {
1.054300000000e+00 1.000000000000e+00})
(type: [(am = F puream = 1)]
{exp coef:0} = {
3.893000000000e-01 1.000000000000e+00})
(type: [(am = G puream = 1)]
{exp coef:0} = {
1.326800000000e+00 1.000000000000e+00})
(type: [(am = G puream = 1)]
{exp coef:0} = {
4.771000000000e-01 1.000000000000e+00})
]
|