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easyconfigs-it4i/m/MRCC/mrcc_files/2/BASIS/Ce
Lukas Krupcik eb1ea94130 merge master
2024-07-25 10:27:17 +02:00

520 lines
69 KiB
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Ce:def2-SV(P)
Weigend and Ahlrichs' Gaussian basis set
4
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10 6 4 3
14 12 9 7
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Ce:def2-SVP
Weigend and Ahlrichs' Gaussian basis set
5
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Ce:def2-TZVP
Weigend and Ahlrichs' Gaussian basis set
5
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10 7 5 4 1
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Ce:def2-TZVPP
Weigend and Ahlrichs' Gaussian basis set
5
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10 7 5 4 2
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Ce:def2-QZVP
Weigend and Ahlrichs' Gaussian basis set
5
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0.000000000000 0.087252949302 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
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0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
583.494899810000 172.652732190000 81.034651617000 25.794016903000 19.282413975000 5.868253328600 2.955312267600 1.421877727600 0.598706819540 0.226593524800 0.077067181345
0.000051398933 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
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0.001287384902 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.032703213064 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
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0.318176029690 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
147.709558200000 51.341399859000 22.778149203000 11.017851441000 5.637233792800 2.961989133100 1.505995908100 0.716137459960 0.326588769470 0.135557389220
0.002210904315 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.029734959291 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.133847606530 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.298443103780 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.498481845050 0.000000000000 0.000000000000 0.000000000000 0.000000000000
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9.203420000000 1.789720000000 0.371100000000
0.039630000000 0.000000000000
0.386040000000 0.000000000000
0.000000000000 1.000000000000
Ce:def2-QZVPP
Weigend and Ahlrichs' Gaussian basis set
6
0 1 2 3 4 5
11 9 6 5 3 1
16 18 11 10 6 1
171849.790260000009 25914.633177000000 6052.288902000000 1677.929593700000 558.238070600000 164.614727510000 35.766725375000 24.718526220000 12.178336487000 2.972444475600 1.537297088200 0.665969066750 0.302075863000 0.075509806983 0.039293302267 0.016476592684
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147.709558200000 51.341399859000 22.778149203000 11.017851441000 5.637233792800 2.961989133100 1.505995908100 0.716137459960 0.326588769470 0.135557389220
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19.451800000000 8.601300000000 3.804900000000 1.617600000000 0.636400000000 0.216400000000
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0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
1.200000000000
1.000000000000
Ce:def2-QZVPP-RI-J
Weigend's Coulomb fitting basis set
7
0 1 2 3 4 5 6
14 7 6 6 5 2 2
18 7 6 6 6 3 5
21705.523200000000 5426.380800000000 2713.190400000000 1356.595200000000 678.297600000000 339.148800000000 84.787200000000 42.393600000000 21.196800000000 10.598400000000 5.299200000000 2.649600000000 1.324800000000 0.662400000000 0.331200000000 0.165600000000 0.082800000000 0.041400000000
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7.712845700000 2.161799500000 0.608105700000
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29.450021400000 11.153913800000 4.590471900000 1.940530900000 0.753051300000
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