10
0
mirror of https://github.com/LCPQ/QUESTDB_website.git synced 2024-12-25 13:53:48 +01:00
QUESTDB_website/static/data/structures/QUEST3/thiophene.xyz

11 lines
563 B
Plaintext

9
^1A_1,CC3,aug-CC-pVTZ
C 0.00000000 1.23479556 -0.05216852
C 0.00000000 -1.23479556 -0.05216852
C 0.00000000 0.71106451 -1.31393498
C 0.00000000 -0.71106451 -1.31393498
S 0.00000000 0.00000000 1.14964115
H 0.00000000 2.27031849 0.23589289
H 0.00000000 -2.27031849 0.23589289
H 0.00000000 1.31638150 -2.20544335
H 0.00000000 -1.31638150 -2.20544335