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QUESTDB_website/static/data/structures/QUEST3/glyoxal.xyz

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2020-08-30 17:36:26 +02:00
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^1A_g,CC3,aug-cc-pVTZ
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