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

520 lines
68 KiB
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Executable File
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Eu:def2-SV(P)
Weigend and Ahlrichs' Gaussian basis set
4
0 1 2 3
10 6 4 3
14 12 9 7
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Eu:def2-SVP
Weigend and Ahlrichs' Gaussian basis set
5
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10 6 4 3 1
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Eu:def2-TZVP
Weigend and Ahlrichs' Gaussian basis set
5
0 1 2 3 4
10 7 5 4 1
14 14 10 8 1
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Eu:def2-TZVPP
Weigend and Ahlrichs' Gaussian basis set
5
0 1 2 3 4
10 7 5 4 2
14 14 10 8 3
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Eu:def2-QZVP
Weigend and Ahlrichs' Gaussian basis set
5
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11 8 6 5 2
16 18 11 10 3
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Eu:def2-QZVPP
Weigend and Ahlrichs' Gaussian basis set
6
0 1 2 3 4 5
11 8 6 5 3 1
16 18 11 10 6 1
171703.526970000006 25966.105556999999 5930.249762800000 1719.568854400000 565.003991300000 191.291773710000 43.504035703000 29.057542821000 15.074759069000 3.790297283900 1.953509985300 0.771156225160 0.344864104120 0.077328979945 0.037255496118 0.015015257737
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0.000000000000 0.000000000000 1.000000000000
2.200000000000
1.000000000000
Eu: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
53642.894321000000 13410.723580000000 3352.680895000000 838.170223800000 419.085111900000 209.542555900000 104.771278000000 52.385639000000 26.192819500000 13.096409700000 6.548204900000 3.274102400000 1.637051200000 0.818525600000 0.409262800000 0.204631400000 0.102315700000 0.051157900000
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