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Merge branch 'master' into newDataOldQuest

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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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2
static/data/structures/QUEST2/pyrazine.xyz
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10 10
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
N 1.41089287 0.00000000 0.00000000 N 1.41089287 0.00000000 0.00000000
C -0.69592552 1.12814594 0.00000000 C -0.69592552 1.12814594 0.00000000

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static/data/structures/QUEST4/con.xyz
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3 3
\ce{CON},,CC3,aug-cc-pVTZ \ce{CON},CC3,aug-cc-pVTZ
C 0.00000000 0.00000000 -1.29152344 C 0.00000000 0.00000000 -1.29152344
O 0.00000000 0.00000000 -0.10824635 O 0.00000000 0.00000000 -0.10824635
N 0.00000000 0.00000000 1.23042072 N 0.00000000 0.00000000 1.23042072