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

6
Cyclopropenone,^1A_1,CC3,aug-cc-pVTZ
C    0.00000000            0.67465769           -0.98919371
C    0.00000000           -0.67465769           -0.98919371
C    0.00000000            0.00000000            0.27419081
O    0.00000000            0.00000000            1.47813364
H    0.00000000            1.54938521           -1.61758804
H    0.00000000           -1.54938521           -1.61758804
Add geometries for QUEST#3 2020-08-30 17:36:26 +02:00			`6`
Add molecule parameter to each XYZ 2020-09-27 16:41:49 +02:00			`Cyclopropenone,^1A_1,CC3,aug-cc-pVTZ`
Add geometries for QUEST#3 2020-08-30 17:36:26 +02:00			`C 0.00000000 0.67465769 -0.98919371`
			`C 0.00000000 -0.67465769 -0.98919371`
			`C 0.00000000 0.00000000 0.27419081`
			`O 0.00000000 0.00000000 1.47813364`
			`H 0.00000000 1.54938521 -1.61758804`
			`H 0.00000000 -1.54938521 -1.61758804`