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

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2020-08-30 17:36:26 +02:00
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A^\prime,CC3,aug-CC-pVTZ
C -0.00202635 0.00000000 -0.66279397
C -1.20563726 0.00000000 0.08018483
C -2.25593316 0.00000000 0.68554269
S 1.49185792 0.00000000 -0.00438674
H -0.12201234 0.00000000 -1.74026373
H -3.16296081 0.00000000 1.23407793