mirror of https://github.com/pfloos/quack
5 lines
217 B
Plaintext
5 lines
217 B
Plaintext
|
3
|
||
|
|
\ce{CNO},^2\Sigma^+,CC3,aug-cc-pVTZ
|
||
|
|
C 0.00000000 0.00000000 -1.32654521
|
||
|
|
N 0.00000000 0.00000000 -0.11854721
|
||
|
|
O 0.00000000 0.00000000 1.09900979
|