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/triazine.xyz

11 lines
570 B
Plaintext

9
^1A_1^\prime,CC3,aug-CC-pVTZ
C 0.00000000 -1.11875858 -0.64591557
C 0.00000000 0.00000000 1.29183114
C 0.00000000 1.11875858 -0.64591557
N 0.00000000 -1.18866290 0.68627484
N 0.00000000 1.18866290 0.68627484
N 0.00000000 0.00000000 -1.37254969
H 0.00000000 2.05477770 -1.18632646
H 0.00000000 -2.05477770 -1.18632646
H 0.00000000 0.00000000 2.37265291