mirror of
https://github.com/pfloos/quack
synced 2024-11-05 13:43:51 +01:00
6 lines
287 B
Plaintext
6 lines
287 B
Plaintext
|
4
|
||
|
|
\ce{CH3},^2A_2^{\prime\prime},CC3,aug-cc-pVTZ
|
||
|
|
C 0.00000000 0.00000000 0.00000000
|
||
|
|
H 0.00000000 0.00000000 1.07623800
|
||
|
|
H 0.00000000 0.93205000 -0.53811900
|
||
|
|
H 0.00000000 -0.93205000 -0.53811900
|