mirror of
https://github.com/pfloos/quack
synced 2024-11-14 18:13:59 +01:00
13 lines
694 B
Plaintext
13 lines
694 B
Plaintext
11
|
|
Pyridine,^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 |