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

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3
\ce{HOC},^2A^\prime,CC3,aug-cc-pVTZ
H    0.00000000            0.96311826            0.79827222
O    0.00000000            0.51048596           -0.06819948
C    0.00000000           -0.76131950            0.02386051
Add geometries for QUEST#4 2020-08-31 17:22:15 +02:00			`3`
Add molecule parameter to each XYZ 2020-09-27 16:41:49 +02:00			`\ce{HOC},^2A^\prime,CC3,aug-cc-pVTZ`
Add geometries for QUEST#4 2020-08-31 17:22:15 +02:00			`H 0.00000000 0.96311826 0.79827222`
			`O 0.00000000 0.51048596 -0.06819948`
			`C 0.00000000 -0.76131950 0.02386051`