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updated data on top

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This commit is contained in:
Emmanuel Giner 2020-03-23 16:02:56 +01:00
parent a2f517df5e
commit 0dd27a081a
1 changed files with 2 additions and 2 deletions
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new/data_on_top/data
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@ -17,7 +17,7 @@ N2 0.592422 0.419336
O2 O2
CAS CIPSI CAS CIPSI
avdz avdz
O2 1.164428 O2 1.164428 0.97121
O 0.513919 0.41604 O 0.513919 0.41604
------------------------ ------------------------
avtz avtz
@ -25,5 +25,5 @@ O2 1.166676
O 0.516070 0.37689 O 0.516070 0.37689
------------------------ ------------------------
avqz avqz
O2 1.167688 O2 1.167688 0.84136
O 0.516288 0.36249 O 0.516288 0.36249