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

4
Thioformaldehyde,^1A_1,CC3,aug-cc-pVTZ
C    0.00000000            0.00000000           -1.10427274
S    0.00000000            0.00000000            0.51463116
H    0.00000000            0.91895736           -1.67756323
H    0.00000000           -0.91895736           -1.67756323

4
Thioformaldehyde,^1A_1,CC3,aug-cc-pVTZ
C    0.00000000            0.00000000           -1.16554829
S    0.00000000            0.00000000            0.54355587
H    0.00000000            0.93470789           -1.70347110
H    0.00000000           -0.93470789           -1.70347110
Add XYZ files for QUEST#1 2020-08-26 18:48:34 +02:00			`4`
Add molecule parameter to each XYZ 2020-09-27 16:41:49 +02:00			`Thioformaldehyde,^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 -1.10427274`
			`S 0.00000000 0.00000000 0.51463116`
			`H 0.00000000 0.91895736 -1.67756323`
			`H 0.00000000 -0.91895736 -1.67756323`

			`4`
Add molecule parameter to each XYZ 2020-09-27 16:41:49 +02:00			`Thioformaldehyde,^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 -1.16554829`
			`S 0.00000000 0.00000000 0.54355587`
			`H 0.00000000 0.93470789 -1.70347110`
			`H 0.00000000 -0.93470789 -1.70347110`