mirror of
https://github.com/pfloos/quack
synced 2024-11-19 12:32:36 +01:00
12 lines
635 B
Plaintext
12 lines
635 B
Plaintext
10
|
|
Pyridazine,^1A_1,CC3,aug-cc-pVTZ
|
|
C 0.00000000 0.68872866 -1.22532499
|
|
C 0.00000000 -0.68872866 -1.22532499
|
|
C 0.00000000 1.31909012 0.01859220
|
|
C 0.00000000 -1.31909012 0.01859220
|
|
N 0.00000000 0.66797114 1.18061915
|
|
N 0.00000000 -0.66797114 1.18061915
|
|
H 0.00000000 2.39613649 0.10212978
|
|
H 0.00000000 -2.39613649 0.10212978
|
|
H 0.00000000 1.26479437 -2.13770502
|
|
H 0.00000000 -1.26479437 -2.13770502 |