mirror of
https://github.com/pfloos/quack
synced 2024-11-05 13:43:51 +01:00
12 lines
661 B
Plaintext
12 lines
661 B
Plaintext
10
|
|
Pyrazine,^1A_g,CC3,aug-cc-pVTZ
|
|
C 0.00000000 1.12814594 0.69592552
|
|
C 0.00000000 -1.12814594 0.69592552
|
|
C 0.00000000 1.12814594 -0.69592552
|
|
C 0.00000000 -1.12814594 -0.69592552
|
|
N 0.00000000 0.00000000 1.41089287
|
|
N 0.00000000 0.00000000 -1.41089287
|
|
H 0.00000000 2.05718388 1.24480592
|
|
H 0.00000000 -2.05718388 1.24480592
|
|
H 0.00000000 2.05718388 -1.24480592
|
|
H 0.00000000 -2.05718388 -1.24480592 |