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

6
Nitrosomethane,^1A^\prime,CC3,aug-cc-pVTZ
C   -0.94419297    0.00000000   -0.56740524
N   -0.00286683    0.00000000    0.57183096
O    1.15791903    0.00000000    0.22993880
H   -0.40928669    0.00000000   -1.51564611
H   -1.57415127    0.88267715   -0.45733920
H   -1.57415127   -0.88267715   -0.45733920
Add geometries for QUEST#2 (without comments) 2020-08-28 14:09:43 +02:00			`6`
Add molecule parameter to each XYZ 2020-09-27 16:41:49 +02:00			`Nitrosomethane,^1A^\prime,CC3,aug-cc-pVTZ`
Add geometries for QUEST#2 (without comments) 2020-08-28 14:09:43 +02:00			`C -0.94419297 0.00000000 -0.56740524`
			`N -0.00286683 0.00000000 0.57183096`
			`O 1.15791903 0.00000000 0.22993880`
			`H -0.40928669 0.00000000 -1.51564611`
			`H -1.57415127 0.88267715 -0.45733920`
			`H -1.57415127 -0.88267715 -0.45733920`