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

6
Diacetylene,^1\Sigma_g,CC3,aug-cc-pVTZ
C    0.00000000            0.00000000            0.68500773
C    0.00000000            0.00000000           -0.68500773
C    0.00000000            0.00000000            1.89682740
C    0.00000000            0.00000000           -1.89682740
H    0.00000000            0.00000000            2.95779899
H    0.00000000            0.00000000           -2.95779899
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			`Diacetylene,^1\Sigma_g,CC3,aug-cc-pVTZ`
Add geometries for QUEST#3 2020-08-30 17:36:26 +02:00			`C 0.00000000 0.00000000 0.68500773`
			`C 0.00000000 0.00000000 -0.68500773`
			`C 0.00000000 0.00000000 1.89682740`
			`C 0.00000000 0.00000000 -1.89682740`
			`H 0.00000000 0.00000000 2.95779899`
			`H 0.00000000 0.00000000 -2.95779899`