mirror of
https://github.com/pfloos/quack
synced 2024-12-23 04:43:42 +01:00
13 lines
560 B
Plaintext
13 lines
560 B
Plaintext
4
|
|
Cyanogen,^1\Sigma_g^+,CC3,aug-cc-pVTZ
|
|
C 0.00000000 0.00000000 0.69005726
|
|
C 0.00000000 0.00000000 -0.69005726
|
|
N 0.00000000 0.00000000 1.85097785
|
|
N 0.00000000 0.00000000 -1.85097785
|
|
|
|
4
|
|
Cyanogen,^1\Sigma_g^+,CC3,aug-cc-pVTZ
|
|
C 0.00000000 0.00000000 0.64974555
|
|
C 0.00000000 0.00000000 -0.64974555
|
|
N 0.00000000 0.00000000 1.88631863
|
|
N 0.00000000 0.00000000 -1.88631863 |