mirror of
https://github.com/pfloos/quack
synced 2024-12-22 20:35:36 +01:00
4 lines
156 B
Plaintext
4 lines
156 B
Plaintext
|
2
|
||
|
|
\ce{CN},^2\Sigma^+,CC3,aug-cc-pVTZ
|
||
|
|
C 0.00000000 0.00000000 -0.62947686
|
||
|
|
N 0.00000000 0.00000000 0.53943315
|