QUESTDB_website/static/data/structures/QUEST2/nitroxyl.xyz

mirror of https://github.com/LCPQ/QUESTDB_website.git synced 2024-11-05 13:43:56 +01:00
3
^1A^\prime,CC3,aug-cc-pVTZ
O    0.11165478    0.00000000    1.14017824
N   -0.23694895    0.00000000   -0.01899356
H    0.62529418    0.00000000   -0.62118467
Add geometries for QUEST#2 (without comments) 2020-08-28 14:09:43 +02:00			`3`
Add metadatas for QUEST#2 geometries 2020-08-28 15:04:40 +02:00			`^1A^\prime,CC3,aug-cc-pVTZ`
Add geometries for QUEST#2 (without comments) 2020-08-28 14:09:43 +02:00			`O 0.11165478 0.00000000 1.14017824`
			`N -0.23694895 0.00000000 -0.01899356`
			`H 0.62529418 0.00000000 -0.62118467`