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QUESTDB_website/static/data/structures/thioacrolein.xyz

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2020-09-01 18:12:16 +02:00
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^1A^\prime,CC3,aug-cc-pVTZ
C 2.26325482 0.00000000 -0.46737002
C 0.93372806 0.00000000 -0.65617151
C 0.00471961 0.00000000 0.45188177
S -1.62198503 0.00000000 0.30987938
H 2.95091478 0.00000000 -1.29950822
H 2.68266516 0.00000000 0.52991541
H 0.51127228 0.00000000 -1.65069059
H 0.46096733 0.00000000 1.43807578