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

9
Furan,^1A_1,CC3,aug-cc-pVTZ
C    0.00000000            1.09204092           -0.31777753
C    0.00000000           -1.09204092           -0.31777753
C    0.00000000            0.71623383            0.98604985
C    0.00000000           -0.71623383            0.98604985
O    0.00000000            0.00000000           -1.13214994
H    0.00000000            2.04440888           -0.81369302
H    0.00000000           -2.04440888           -0.81369302
H    0.00000000            1.37146217            1.83713421
H    0.00000000           -1.37146217            1.83713421
Add geometries for QUEST#3 2020-08-30 17:36:26 +02:00			`9`
Add molecule parameter to each XYZ 2020-09-27 16:41:49 +02:00			`Furan,^1A_1,CC3,aug-cc-pVTZ`
Add geometries for QUEST#3 2020-08-30 17:36:26 +02:00			`C 0.00000000 1.09204092 -0.31777753`
			`C 0.00000000 -1.09204092 -0.31777753`
			`C 0.00000000 0.71623383 0.98604985`
			`C 0.00000000 -0.71623383 0.98604985`
			`O 0.00000000 0.00000000 -1.13214994`
			`H 0.00000000 2.04440888 -0.81369302`
			`H 0.00000000 -2.04440888 -0.81369302`
			`H 0.00000000 1.37146217 1.83713421`
			`H 0.00000000 -1.37146217 1.83713421`