mirror of
https://github.com/pfloos/quack
synced 2024-12-22 20:34:46 +01:00
5 lines
212 B
Plaintext
5 lines
212 B
Plaintext
|
3
|
||
|
|
\ce{NH2},^2B_1,CC3,aug-cc-pVTZ
|
||
|
|
N 0.00000000 0.00000000 0.04231680
|
||
|
|
H 0.00000000 0.42445251 -0.29398220
|
||
|
|
H 0.00000000 -0.42445251 -0.29398220
|