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

6
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
Add geometries for QUEST#3 2020-08-30 17:36:26 +02:00			`6`
Fix upercase cc in basis 2020-09-15 13:01:50 +02:00			`A^\prime,CC3,aug-cc-pVTZ`
Add geometries for QUEST#3 2020-08-30 17:36:26 +02:00			`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`