mirror of
https://github.com/pfloos/quack
synced 2024-11-09 07:33:55 +01:00
7 lines
341 B
Plaintext
7 lines
341 B
Plaintext
5
|
|
Difluorodiazirine,^1A_1,CC3,aug-cc-pVTZ
|
|
C 0.00000000 0.00000000 -0.08087430
|
|
F 0.00000000 1.09051409 -0.83454859
|
|
F 0.00000000 -1.09051409 -0.83454859
|
|
N 0.63703539 0.00000000 1.16718935
|
|
N -0.63703539 0.00000000 1.16718935 |