mirror of
https://github.com/pfloos/quack
synced 2024-11-07 14:43:58 +01:00
5 lines
207 B
Plaintext
5 lines
207 B
Plaintext
|
3
|
||
|
\ce{CON},,CC3,aug-cc-pVTZ
|
||
|
C 0.00000000 0.00000000 -1.29152344
|
||
|
O 0.00000000 0.00000000 -0.10824635
|
||
|
N 0.00000000 0.00000000 1.23042072
|