QUESTDB_website/static/data/structures/QUEST2/ethylene.xyz

6
Ethylene,^1A_g,CC3,aug-cc-pVTZ
C    0.00000000    0.66690396     0.00000000
C    0.00000000   -0.66690396     0.00000000
H    0.00000000    1.22952195     0.92229064
H    0.00000000   -1.22952195     0.92229064
H    0.00000000    1.22952195    -0.92229064
H    0.00000000   -1.22952195    -0.92229064
Add geometries for QUEST#2 (without comments) 2020-08-28 14:09:43 +02:00			`6`
Add molecule parameter to each XYZ 2020-09-27 16:41:49 +02:00			`Ethylene,^1A_g,CC3,aug-cc-pVTZ`
Add geometries for QUEST#2 (without comments) 2020-08-28 14:09:43 +02:00			`C 0.00000000 0.66690396 0.00000000`
			`C 0.00000000 -0.66690396 0.00000000`
			`H 0.00000000 1.22952195 0.92229064`
			`H 0.00000000 -1.22952195 0.92229064`
			`H 0.00000000 1.22952195 -0.92229064`
			`H 0.00000000 -1.22952195 -0.92229064`