10
0
mirror of https://github.com/LCPQ/QUESTDB_website.git synced 2024-12-30 16:15:50 +01:00
QUESTDB_website/data/structures/QUEST1/formaldehyde.xyz

14 lines
560 B
Plaintext
Raw Normal View History

4
Formaldehyde,^1A_1,CC3,aug-cc-pVTZ
C 0.00000000 0.00000000 -0.60298508
O 0.00000000 0.00000000 0.60539399
H 0.00000000 0.93467313 -1.18217476
H 0.00000000 -0.93467313 -1.18217476
4
Formaldehyde,^1A^\prime,CC3,aug-cc-pVTZ
C -0.05261453 0.00000000 0.67243114
O 0.01051633 0.00000000 -0.65237250
H 0.22637595 0.93521292 1.15609813
H 0.22637595 -0.93521292 1.15609813