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

5
Cyanoformaldehyde,^1A^\prime,CC3,aug-cc-pVTZ
C   -0.48452250            0.00000000           -0.64836291
C   -0.00577977            0.00000000            0.73832485
N    0.33957439            0.00000000            1.84587767
O    0.26900027            0.00000000           -1.58931955
H   -1.57272638            0.00000000           -0.75442506
Add geometries for QUEST#3 2020-08-30 17:36:26 +02:00			`5`
Add molecule parameter to each XYZ 2020-09-27 16:41:49 +02:00			`Cyanoformaldehyde,^1A^\prime,CC3,aug-cc-pVTZ`
Add geometries for QUEST#3 2020-08-30 17:36:26 +02:00			`C -0.48452250 0.00000000 -0.64836291`
			`C -0.00577977 0.00000000 0.73832485`
			`N 0.33957439 0.00000000 1.84587767`
			`O 0.26900027 0.00000000 -1.58931955`
			`H -1.57272638 0.00000000 -0.75442506`