QUESTDB_website/static/data/structures/QUEST1/cyclopropene.xyz

7
Cyclopropene,^1A_1,CC3,aug-cc-pVTZ
C    0.00000000            0.00000000           -0.88277808
C    0.00000000            0.64836859            0.47986540
C    0.00000000           -0.64836859            0.47986540
H    0.91153656            0.00000000           -1.47048371
H   -0.91153656            0.00000000           -1.47048371
H    0.00000000            1.57612532            1.01642650
H    0.00000000           -1.57612532            1.01642650
Add XYZ files for QUEST#1 2020-08-26 18:48:34 +02:00			`7`
Add molecule parameter to each XYZ 2020-09-27 16:41:49 +02:00			`Cyclopropene,^1A_1,CC3,aug-cc-pVTZ`
Add XYZ files for QUEST#1 2020-08-26 18:48:34 +02:00			`C 0.00000000 0.00000000 -0.88277808`
			`C 0.00000000 0.64836859 0.47986540`
			`C 0.00000000 -0.64836859 0.47986540`
			`H 0.91153656 0.00000000 -1.47048371`
			`H -0.91153656 0.00000000 -1.47048371`
			`H 0.00000000 1.57612532 1.01642650`
			`H 0.00000000 -1.57612532 1.01642650`