mirror of
https://github.com/pfloos/quack
synced 2024-11-19 04:22:39 +01:00
12 lines
640 B
Plaintext
12 lines
640 B
Plaintext
|
10
|
||
|
|
Butadiene,^1A_g,CC3,aug-cc-pVTZ
|
||
|
|
C 0.60673471 0.00000000 0.39936380
|
||
|
|
C -0.60673471 0.00000000 -0.39936380
|
||
|
|
C 1.84223863 0.00000000 -0.11897388
|
||
|
|
C -1.84223863 0.00000000 0.11897388
|
||
|
|
H 0.48033933 0.00000000 1.47579018
|
||
|
|
H -0.48033933 0.00000000 -1.47579018
|
||
|
|
H 1.99778057 0.00000000 -1.19009558
|
||
|
|
H -1.99778057 0.00000000 1.19009558
|
||
|
|
H 2.71819794 0.00000000 0.51257105
|
||
|
|
H -2.71819794 0.00000000 -0.51257105
|