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

4
Formaldehyde,^1A_1,CC3,aug-cc-pVTZ
C    0.00000000    0.00000000   -0.60298508
O    0.00000000    0.00000000    0.60539399
H    0.00000000    0.93467313   -1.18217476
H    0.00000000   -0.93467313   -1.18217476
Add geometries for QUEST#2 (without comments) 2020-08-28 14:09:43 +02:00			`4`
Add molecule parameter to each XYZ 2020-09-27 16:41:49 +02:00			`Formaldehyde,^1A_1,CC3,aug-cc-pVTZ`
Add geometries for QUEST#2 (without comments) 2020-08-28 14:09:43 +02:00			`C 0.00000000 0.00000000 -0.60298508`
			`O 0.00000000 0.00000000 0.60539399`
			`H 0.00000000 0.93467313 -1.18217476`
			`H 0.00000000 -0.93467313 -1.18217476`