mirror of
https://github.com/pfloos/quack
synced 2024-09-01 17:13:45 +02:00
5 lines
217 B
Plaintext
5 lines
217 B
Plaintext
|
3
|
||
|
\ce{HCP},^1\Sigma^+,CC3,aug-cc-pVTZ
|
||
|
H 0.00000000 0.00000000 -2.13306279
|
||
|
C 0.00000000 0.00000000 -1.06730620
|
||
|
P 0.00000000 0.00000000 0.48367655
|