mirror of
https://github.com/pfloos/quack
synced 2024-11-04 21:23:55 +01:00
5 lines
217 B
Plaintext
5 lines
217 B
Plaintext
|
3
|
||
|
Nitroxyl,^1A^\prime,CC3,aug-cc-pVTZ
|
||
|
O 0.11165478 0.00000000 1.14017824
|
||
|
N -0.23694895 0.00000000 -0.01899356
|
||
|
H 0.62529418 0.00000000 -0.62118467
|