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

520 lines
68 KiB
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Pr: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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Pr:def2-SVP
Weigend and Ahlrichs' Gaussian basis set
5
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10 6 4 3 1
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Pr: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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Pr: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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Pr: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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157.607132520000 58.754840634000 27.220518451000 13.336409575000 6.689124853500 3.369876931400 1.694526980500 0.837286866860 0.398215240080 0.171748538630
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10.214060000000 2.118860000000 0.409530000000
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0.420100000000 0.000000000000
0.000000000000 1.000000000000
Pr: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
171878.360049999988 25919.313047000000 6043.046395300000 1686.377156500000 557.081787610000 173.269617660000 37.508684318000 25.608333779000 12.761542401000 3.151371115400 1.638068877500 0.694249912110 0.313930188450 0.075158842717 0.039097149999 0.015986383600
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0.000000000000 0.000000000000 1.000000000000
1.400000000000
1.000000000000
Pr: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
3156.408790800000 1497.481162800000 720.125367200000 350.773832800000 172.941560300000 86.236844900000 43.457399000000 22.113450300000 11.352847400000 5.875326700000 3.062331400000 1.606093600000 0.846810100000 0.448424400000 0.238268500000 0.126911200000 0.067696800000 0.036128400000
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10.664453000000 1.788261700000 0.659571400000
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0.000000000000 -0.001084700000
32.428478000000 12.389011800000 5.117531800000 2.192113400000 0.870446300000
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0.000000000000 -0.002228900000
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