mirror of
https://github.com/pfloos/quack
synced 2024-11-19 12:32:36 +01:00
16 lines
876 B
Plaintext
16 lines
876 B
Plaintext
14
|
|
Aza-naphthalene,^1A_g,CC3/cc-pVTZ
|
|
C 0.00000000 0.70770032 0.00000000
|
|
C 0.00000000 -0.70770032 0.00000000
|
|
C 2.25666080 0.70974464 0.00000000
|
|
C -2.25666080 0.70974464 0.00000000
|
|
C 2.25666080 -0.70974464 0.00000000
|
|
C -2.25666080 -0.70974464 0.00000000
|
|
N 1.15520116 1.42251481 0.00000000
|
|
N -1.15520116 1.42251481 0.00000000
|
|
N 1.15520116 -1.42251481 0.00000000
|
|
N -1.15520116 -1.42251481 0.00000000
|
|
H 3.19442032 1.24604053 0.00000000
|
|
H -3.19442032 1.24604053 0.00000000
|
|
H 3.19442032 -1.24604053 0.00000000
|
|
H -3.19442032 -1.24604053 0.00000000 |