QUESTDB_website/static/data/structures/QUEST4/allyl.xyz

8
Allyl,^2A_2,CC3,aug-cc-pVTZ
C    0.00000000            0.00000000            0.43948555
C    0.00000000            1.22230000           -0.20491245
C    0.00000000           -1.22230000           -0.20491245
H    0.00000000            0.00000000            1.52163355
H    0.00000000            2.14865500            0.34693155
H    0.00000000           -2.14865500            0.34693155
H    0.00000000            1.27563400           -1.28433045
H    0.00000000           -1.27563400           -1.28433045
Add geometries for QUEST#4 2020-08-31 17:22:15 +02:00			`8`
Fix molecules metadata 2020-09-28 16:13:00 +02:00			`Allyl,^2A_2,CC3,aug-cc-pVTZ`
Add geometries for QUEST#4 2020-08-31 17:22:15 +02:00			`C 0.00000000 0.00000000 0.43948555`
			`C 0.00000000 1.22230000 -0.20491245`
			`C 0.00000000 -1.22230000 -0.20491245`
			`H 0.00000000 0.00000000 1.52163355`
			`H 0.00000000 2.14865500 0.34693155`
			`H 0.00000000 -2.14865500 0.34693155`
			`H 0.00000000 1.27563400 -1.28433045`
			`H 0.00000000 -1.27563400 -1.28433045`