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

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3
\ce{NCO},^2\Pi,CC3,aug-cc-pVTZ
N    0.00000000            0.00000000           -1.26655156
C    0.00000000            0.00000000           -0.03830257
O    0.00000000            0.00000000            1.13756443
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{NCO},^2\Pi,CC3,aug-cc-pVTZ`
Add geometries for QUEST#4 2020-08-31 17:22:15 +02:00			`N 0.00000000 0.00000000 -1.26655156`
			`C 0.00000000 0.00000000 -0.03830257`
			`O 0.00000000 0.00000000 1.13756443`