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clean up

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This commit is contained in:
Pierre-Francois Loos 2020-10-06 14:28:52 +02:00
parent 27663d2146
commit e203b3c711
3 changed files with 146 additions and 1 deletions
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105
basis/aug-mcc-pv8z Normal file
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HYDROGEN
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7 44.6955000 0.00201384
8 16.0038000 0.00687086
9 6.0805600 0.02095415
10 2.4762200 0.05614039
11 1.0757100 0.13038113
12 0.4896820 0.25186989
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14 0.1099655 0.26587036
15 0.0523230 0.05787678
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J 1
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41
basis/sadlej+ Normal file
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NITROGEN
S 5
1 8104.0716 .000802
2 1216.0215 .006174
3 277.23428 .031233
4 76.904023 .115198
5 25.874419 .296951
S 2
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P 1
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P 1
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D 1
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1
int/.gitignore vendored
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*.dat