mirror of
https://github.com/pfloos/quack
synced 2024-11-08 23:23:59 +01:00
9 lines
461 B
Plaintext
9 lines
461 B
Plaintext
|
7
|
||
|
|
Acetaldehyde,^1A^\prime,CC3,aug-cc-pVTZ
|
||
|
|
C -0.00124094 0.00000000 0.46104598
|
||
|
|
C -0.93054640 0.00000000 -0.71424991
|
||
|
|
O 1.20624568 0.00000000 0.38083840
|
||
|
|
H -0.49162964 0.00000000 1.44957198
|
||
|
|
H -1.57671241 0.87868017 -0.66257994
|
||
|
|
H -1.57671241 -0.87868017 -0.66257994
|
||
|
|
H -0.37065389 0.00000000 -1.64609256
|