mirror of
https://github.com/pfloos/quack
synced 2024-12-22 20:35:36 +01:00
5 lines
159 B
Plaintext
5 lines
159 B
Plaintext
|
2
|
||
|
\ce{BeF},^2\Sigma^+,CC3,aug-cc-pVTZ
|
||
|
Be 0.00000000 0.00000000 -0.94160200
|
||
|
F 0.00000000 0.00000000 0.41849000
|