/usr/share/mpqc/basis/tz_LdunningR.kv is in libsc-data 2.3.1-11ubuntu1.
This file is owned by root:root, with mode 0o644.
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basis:(
%T.H. DUNNING, JR., J. CHEM. PHYS. 55, 716 (1971).
%
%
% BASIS SET: (5s) -> [3s]
hydrogen: "TZ (Dunning)": [
(type: [am = s]
{exp coef:0} = {
74.690000000 0.02537400
11.230000000 0.18968400
2.546000000 0.85293300
})
(type: [am = s]
{exp coef:0} = {
0.713000000 1.00000000
})
(type: [am = s]
{exp coef:0} = {
0.224900000 1.00000000
})
]
%
% BASIS SET: (10s) -> [4s]
lithium: "TZ (Dunning)": [
(type: [am = s]
{exp coef:0} = {
1783.000000000 0.00082400
267.100000000 0.00640300
60.070000000 0.03323900
16.780000000 0.12662100
5.403000000 0.33774900
1.906000000 0.57566900
0.263400000 0.06231100
})
(type: [am = s]
{exp coef:0} = {
0.717900000 1.00000000
})
(type: [am = s]
{exp coef:0} = {
0.077160000 1.00000000
})
(type: [am = s]
{exp coef:0} = {
0.028540000 1.00000000
})
]
%
% BASIS SET: (10s) -> [5s]
beryllium: "TZ (Dunning)": [
(type: [am = s]
{exp coef:0} = {
3630.000000000 0.00083900
532.300000000 0.00673500
117.800000000 0.03572600
32.660000000 0.13863500
10.480000000 0.38539900
3.668000000 0.54768800
})
(type: [am = s]
{exp coef:0} = {
3.668000000 0.21340600
1.354000000 0.81469200
})
(type: [am = s]
{exp coef:0} = {
0.389000000 1.00000000
})
(type: [am = s]
{exp coef:0} = {
0.150200000 1.00000000
})
(type: [am = s]
{exp coef:0} = {
0.052410000 1.00000000
})
]
%
% BASIS SET: (10s,6p) -> [5s,3p]
boron: "TZ (Dunning)": [
(type: [am = s]
{exp coef:0} = {
6250.000000000 0.00079800
916.100000000 0.00641000
202.200000000 0.03429900
55.830000000 0.13548700
17.860000000 0.38853200
6.253000000 0.54775800
})
(type: [am = s]
{exp coef:0} = {
6.253000000 0.23264300
2.312000000 0.79721900
})
(type: [am = s]
{exp coef:0} = {
0.682400000 1.00000000
})
(type: [am = s]
{exp coef:0} = {
0.260400000 1.00000000
})
(type: [am = s]
{exp coef:0} = {
0.089400000 1.00000000
})
(type: [am = p]
{exp coef:0} = {
15.460000000 0.01682200
3.483000000 0.10087800
1.066000000 0.33689500
0.392800000 0.67231700
})
(type: [am = p]
{exp coef:0} = {
0.150300000 1.00000000
})
(type: [am = p]
{exp coef:0} = {
0.057220000 1.00000000
})
]
%
% BASIS SET: (10s,6p) -> [5s,3p]
carbon: "TZ (Dunning)": [
(type: [am = s]
{exp coef:0} = {
9471.000000000 0.00077600
1398.000000000 0.00621800
307.500000000 0.03357500
84.540000000 0.13427800
26.910000000 0.39366800
9.409000000 0.54416900
})
(type: [am = s]
{exp coef:0} = {
9.409000000 0.24807500
3.500000000 0.78284400
})
(type: [am = s]
{exp coef:0} = {
1.068000000 1.00000000
})
(type: [am = s]
{exp coef:0} = {
0.400200000 1.00000000
})
(type: [am = s]
{exp coef:0} = {
0.135100000 1.00000000
})
(type: [am = p]
{exp coef:0} = {
25.370000000 0.01629500
5.776000000 0.10209800
1.787000000 0.34022800
0.657700000 0.66826900
})
(type: [am = p]
{exp coef:0} = {
0.248000000 1.00000000
})
(type: [am = p]
{exp coef:0} = {
0.091060000 1.00000000
})
]
%
% BASIS SET: (10s,6p) -> [5s,3p]
nitrogen: "TZ (Dunning)": [
(type: [am = s]
{exp coef:0} = {
13520.000000000 0.00076000
1999.000000000 0.00607600
440.000000000 0.03284700
120.900000000 0.13239600
38.470000000 0.39326100
13.460000000 0.54633900
})
(type: [am = s]
{exp coef:0} = {
13.460000000 0.25203600
4.993000000 0.77938500
})
(type: [am = s]
{exp coef:0} = {
1.569000000 1.00000000
})
(type: [am = s]
{exp coef:0} = {
0.580000000 1.00000000
})
(type: [am = s]
{exp coef:0} = {
0.192300000 1.00000000
})
(type: [am = p]
{exp coef:0} = {
35.910000000 0.01691600
8.480000000 0.10220000
2.706000000 0.33813400
0.992100000 0.66928100
})
(type: [am = p]
{exp coef:0} = {
0.372700000 1.00000000
})
(type: [am = p]
{exp coef:0} = {
0.134600000 1.00000000
})
]
%
% BASIS SET: (10s,6p) -> [5s,3p]
oxygen: "TZ (Dunning)": [
(type: [am = s]
{exp coef:0} = {
18050.000000000 0.00075700
2660.000000000 0.00606600
585.700000000 0.03278200
160.900000000 0.13260900
51.160000000 0.39683900
17.900000000 0.54257200
})
(type: [am = s]
{exp coef:0} = {
17.900000000 0.26249000
6.639000000 0.76982800
})
(type: [am = s]
{exp coef:0} = {
2.077000000 1.00000000
})
(type: [am = s]
{exp coef:0} = {
0.773600000 1.00000000
})
(type: [am = s]
{exp coef:0} = {
0.255800000 1.00000000
})
(type: [am = p]
{exp coef:0} = {
49.830000000 0.01635800
11.490000000 0.10645300
3.609000000 0.34930200
1.321000000 0.65718300
})
(type: [am = p]
{exp coef:0} = {
0.482100000 1.00000000
})
(type: [am = p]
{exp coef:0} = {
0.165100000 1.00000000
})
]
%
% BASIS SET: (10s,6p) -> [5s,3p]
fluorine: "TZ (Dunning)": [
(type: [am = s]
{exp coef:0} = {
23340.000000000 0.00075700
3431.000000000 0.00608100
757.700000000 0.03263600
209.200000000 0.13170400
66.730000000 0.39624000
23.370000000 0.54367200
})
(type: [am = s]
{exp coef:0} = {
23.370000000 0.26489300
8.624000000 0.76792500
})
(type: [am = s]
{exp coef:0} = {
2.692000000 1.00000000
})
(type: [am = s]
{exp coef:0} = {
1.009000000 1.00000000
})
(type: [am = s]
{exp coef:0} = {
0.331200000 1.00000000
})
(type: [am = p]
{exp coef:0} = {
65.660000000 0.01603700
15.220000000 0.10569700
4.788000000 0.35022700
1.732000000 0.65819500
})
(type: [am = p]
{exp coef:0} = {
0.620600000 1.00000000
})
(type: [am = p]
{exp coef:0} = {
0.207000000 1.00000000
})
]
%
% BASIS SET: (10s,6p) -> [5s,3p]
neon: "TZ (Dunning)": [
(type: [am = s]
{exp coef:0} = {
28660.000000000 0.00076700
4263.000000000 0.00606800
946.800000000 0.03247400
261.500000000 0.13146800
83.340000000 0.39772300
29.170000000 0.54249100
})
(type: [am = s]
{exp coef:0} = {
29.170000000 0.26906500
10.760000000 0.76412100
})
(type: [am = s]
{exp coef:0} = {
3.343000000 1.00000000
})
(type: [am = s]
{exp coef:0} = {
1.241000000 1.00000000
})
(type: [am = s]
{exp coef:0} = {
0.406300000 1.00000000
})
(type: [am = p]
{exp coef:0} = {
84.840000000 0.03615400
19.710000000 0.23950300
6.219000000 0.34921500
2.211000000 0.66283900
})
(type: [am = p]
{exp coef:0} = {
0.785300000 1.00000000
})
(type: [am = p]
{exp coef:0} = {
0.256600000 1.00000000
})
]
)
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