PTEROSOR/QuAcK
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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
S 15
1 13940.8000000 0.00000301
2 3471.4300000 0.00000544
3 1903.1800000 0.00001785
4 623.2860000 0.00007195
5 290.3600000 0.00012055
6 126.5850000 0.00052527
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
13 0.2297860 0.35225121
14 0.1099655 0.26587036
15 0.0523230 0.05787678
S 1
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S 1
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S 1
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S 1
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S 1
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S 1
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P 1
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P 1
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F 1
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H 1
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H 1
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I 1
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I 1
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J 1
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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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2 3.579794 .245003
S 1
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S 1
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S 1
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S 1
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S 1
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P 4
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2 5.991227 .091156
3 1.750842 .297420
4 0.560511 .493796
P 1
1 0.175948 1.
P 1
1 0.055231 1.
P 1
1 0.0173000 1.0000000
D 2
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2 0.560511 .659562
D 2
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2 0.055231 .704217
D 1
1 0.0173000 1.0000000

1
int/.gitignore vendored
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*.dat