10
0
mirror of https://github.com/LCPQ/QUESTDB_website.git synced 2024-07-04 02:16:11 +02:00
QUESTDB_website/static/data/structures/QUEST1/thioformaldehyde.xyz

13 lines
528 B
Plaintext

4
^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
^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