QUESTDB_website/static/data/structures/QUEST4/vinyl.xyz

5
Vinyl,^2A^{\prime\prime},CC3,aug-cc-pVTZ
C    0.00000000            0.61791845           -0.02277127
C    0.00000000           -0.68764125            0.08366330
H    0.00000000            1.26171515            0.84563482
H    0.00000000            1.10470574           -0.99484421
H    0.00000000           -1.53624338           -0.57582160
Add geometries for QUEST#4 2020-08-31 17:22:15 +02:00			`5`
Add molecule parameter to each XYZ 2020-09-27 16:41:49 +02:00			`Vinyl,^2A^{\prime\prime},CC3,aug-cc-pVTZ`
Add geometries for QUEST#4 2020-08-31 17:22:15 +02:00			`C 0.00000000 0.61791845 -0.02277127`
			`C 0.00000000 -0.68764125 0.08366330`
			`H 0.00000000 1.26171515 0.84563482`
			`H 0.00000000 1.10470574 -0.99484421`
			`H 0.00000000 -1.53624338 -0.57582160`