mirror of
https://github.com/pfloos/quack
synced 2024-08-31 08:33:43 +02:00
8 lines
395 B
Plaintext
8 lines
395 B
Plaintext
6
|
|
Nitromethyl,^2B_1,CC3,aug-cc-pVTZ
|
|
C 0.00000000 0.00000000 -1.36748442
|
|
N 0.00000000 0.00000000 0.04599858
|
|
O 0.00000000 -1.09389200 0.60907358
|
|
O 0.00000000 1.09389200 0.60907358
|
|
H 0.00000000 0.96128400 -1.84479843
|
|
H 0.00000000 -0.96128400 -1.84479843 |