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/pyridine.xyz

13 lines
685 B
Plaintext

11
^1A_1,CC3,aug-CC-pVTZ
C 0.00000000 0.00000000 -1.40999871
C 0.00000000 1.19326807 -0.69888375
C 0.00000000 -1.19326807 -0.69888375
C 0.00000000 1.13984027 0.69147391
C 0.00000000 -1.13984027 0.69147391
N 0.00000000 0.00000000 1.39056622
H 0.00000000 0.00000000 -2.49052765
H 0.00000000 2.14723447 -1.20454196
H 0.00000000 -2.14723447 -1.20454196
H 0.00000000 2.05352021 1.27183287
H 0.00000000 -2.05352021 1.27183287