mirror of
https://github.com/pfloos/quack
synced 2024-11-07 06:33:55 +01:00
5 lines
217 B
Plaintext
5 lines
217 B
Plaintext
3
|
|
\ce{HOC},^2A^\prime,CC3,aug-cc-pVTZ
|
|
H 0.00000000 0.96311826 0.79827222
|
|
O 0.00000000 0.51048596 -0.06819948
|
|
C 0.00000000 -0.76131950 0.02386051 |