QUESTDB_website/static/data/structures/QUEST3/pyridine.xyz

11
Pyridine,^1A_1,CC3,aug-cc-pVTZ
C    0.00000000            0.00000000           -1.40999871
C    0.00000000            1.19326807           -0.69888375
C    0.00000000           -1.19326807           -0.69888375
C    0.00000000            1.13984027            0.69147391
C    0.00000000           -1.13984027            0.69147391
N    0.00000000            0.00000000            1.39056622
H    0.00000000            0.00000000           -2.49052765
H    0.00000000            2.14723447           -1.20454196
H    0.00000000           -2.14723447           -1.20454196 
H    0.00000000            2.05352021            1.27183287
H    0.00000000           -2.05352021            1.27183287
Add geometries for QUEST#3 2020-08-30 17:36:26 +02:00			`11`
Add molecule parameter to each XYZ 2020-09-27 16:41:49 +02:00			`Pyridine,^1A_1,CC3,aug-cc-pVTZ`
Add geometries for QUEST#3 2020-08-30 17:36:26 +02:00			`C 0.00000000 0.00000000 -1.40999871`
			`C 0.00000000 1.19326807 -0.69888375`
			`C 0.00000000 -1.19326807 -0.69888375`
			`C 0.00000000 1.13984027 0.69147391`
			`C 0.00000000 -1.13984027 0.69147391`
			`N 0.00000000 0.00000000 1.39056622`
			`H 0.00000000 0.00000000 -2.49052765`
			`H 0.00000000 2.14723447 -1.20454196`
			`H 0.00000000 -2.14723447 -1.20454196`
			`H 0.00000000 2.05352021 1.27183287`
			`H 0.00000000 -2.05352021 1.27183287`