PTEROSOR/QUESTDB_website
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QUESTDB_website/static/data/structures/QUEST2/glyoxal.xyz

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Add geometries for QUEST#2 (without comments)
2020-08-28 14:09:43 +02:00
6
Add metadatas for QUEST#2 geometries
2020-08-28 15:04:40 +02:00
^1A_g,CC3,aug-cc-pVTZ
Add geometries for QUEST#2 (without comments)
2020-08-28 14:09:43 +02:00
C 0.64221096 0.40132913 0.00000000
C -0.64221096 -0.40132913 0.00000000
O 1.72290261 -0.13998423 0.00000000
O -1.72290261 0.13998423 0.00000000
H 0.50872597 1.49166188 0.00000000
H -0.50872597 -1.49166188 0.00000000
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