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

mirror of https://github.com/LCPQ/QUESTDB_website.git synced 2024-07-04 02:16:11 +02:00
3
\ce{HCP},^1\Sigma^+,CC3,aug-cc-pVTZ
H    0.00000000            0.00000000           -2.13306279
C    0.00000000            0.00000000           -1.06730620
P    0.00000000            0.00000000            0.48367655
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{HCP},^1\Sigma^+,CC3,aug-cc-pVTZ`
Add geometries for QUEST#4 2020-08-31 17:22:15 +02:00			`H 0.00000000 0.00000000 -2.13306279`
			`C 0.00000000 0.00000000 -1.06730620`
			`P 0.00000000 0.00000000 0.48367655`