10
0
mirror of https://github.com/LCPQ/QUESTDB_website.git synced 2024-11-09 07:33:52 +01:00
QUESTDB_website/static/data/structures/thioacrolein.xyz

10 lines
508 B
Plaintext

8
^1A^\prime,CC3,aug-cc-pVTZ
C 2.26325482 0.00000000 -0.46737002
C 0.93372806 0.00000000 -0.65617151
C 0.00471961 0.00000000 0.45188177
S -1.62198503 0.00000000 0.30987938
H 2.95091478 0.00000000 -1.29950822
H 2.68266516 0.00000000 0.52991541
H 0.51127228 0.00000000 -1.65069059
H 0.46096733 0.00000000 1.43807578