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

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3
Nitroxyl,^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 molecule parameter to each XYZ 2020-09-27 16:41:49 +02:00			`Nitroxyl,^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`