mirror of
https://github.com/pfloos/quack
synced 2024-12-22 20:35:36 +01:00
13 lines
700 B
Plaintext
13 lines
700 B
Plaintext
11
|
|
Cyclopentadiene,^1A_1,CC3,aug-cc-pVTZ
|
|
C 0.00000000 0.00000000 -1.23358114
|
|
C 0.00000000 1.17587987 -0.30094937
|
|
C 0.00000000 -1.17587987 -0.30094937
|
|
C 0.00000000 0.73298691 0.97248442
|
|
C 0.00000000 -0.73298691 0.97248442
|
|
H 0.87912477 0.00000000 -1.88606325
|
|
H -0.87912477 0.00000000 -1.88606325
|
|
H 0.00000000 2.20428981 -0.62504626
|
|
H 0.00000000 -2.20428981 -0.62504626
|
|
H 0.00000000 1.34683318 1.85927632
|
|
H 0.00000000 -1.34683318 1.85927632 |