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

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3
\ce{CClF},^1A^\prime,CC3,aug-cc-pVTZ
C    0.15756826            0.00000000            0.78301862
F    1.14821011            0.00000000           -0.05593339
Cl  -1.30577836            0.00000000           -0.17368824
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{CClF},^1A^\prime,CC3,aug-cc-pVTZ`
Add geometries for QUEST#4 2020-08-31 17:22:15 +02:00			`C 0.15756826 0.00000000 0.78301862`
			`F 1.14821011 0.00000000 -0.05593339`
			`Cl -1.30577836 0.00000000 -0.17368824`