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

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3
\ce{HCCl},^1A^\prime,CC3,aug-cc-pVTZ
H   -0.99521495            0.00000000           -0.07579894
Cl   1.20948440            0.00000000           -0.22892822
C   -0.21426945            0.00000000            0.69937099
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{HCCl},^1A^\prime,CC3,aug-cc-pVTZ`
Add geometries for QUEST#4 2020-08-31 17:22:15 +02:00			`H -0.99521495 0.00000000 -0.07579894`
			`Cl 1.20948440 0.00000000 -0.22892822`
			`C -0.21426945 0.00000000 0.69937099`