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mirror of https://github.com/LCPQ/QUESTDB_website.git synced 2024-12-25 05:43:46 +01:00

Merge branch 'master' into newDataOldQuest

This commit is contained in:
Mickaël Véril 2020-10-27 17:08:45 +01:00
commit 64ed732cae
2 changed files with 2 additions and 2 deletions

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Pyrazine,^1A_g,,CC3,aug-cc-pVTZ
Pyrazine,^1A_g,CC3,aug-cc-pVTZ
N -1.41089287 0.00000000 0.00000000
N 1.41089287 0.00000000 0.00000000
C -0.69592552 1.12814594 0.00000000

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\ce{CON},,CC3,aug-cc-pVTZ
\ce{CON},CC3,aug-cc-pVTZ
C 0.00000000 0.00000000 -1.29152344
O 0.00000000 0.00000000 -0.10824635
N 0.00000000 0.00000000 1.23042072