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

6
Nitromethyl,^2B_1,CC3,aug-cc-pVTZ
C    0.00000000            0.00000000           -1.36748442
N    0.00000000            0.00000000            0.04599858
O    0.00000000           -1.09389200            0.60907358
O    0.00000000            1.09389200            0.60907358
H    0.00000000            0.96128400           -1.84479843
H    0.00000000           -0.96128400           -1.84479843
Add geometries for QUEST#4 2020-08-31 17:22:15 +02:00			`6`
Add molecule parameter to each XYZ 2020-09-27 16:41:49 +02:00			`Nitromethyl,^2B_1,CC3,aug-cc-pVTZ`
Add geometries for QUEST#4 2020-08-31 17:22:15 +02:00			`C 0.00000000 0.00000000 -1.36748442`
			`N 0.00000000 0.00000000 0.04599858`
			`O 0.00000000 -1.09389200 0.60907358`
			`O 0.00000000 1.09389200 0.60907358`
			`H 0.00000000 0.96128400 -1.84479843`
			`H 0.00000000 -0.96128400 -1.84479843`