mirror of
https://github.com/pfloos/quack
synced 2024-12-23 12:56:38 +01:00
12 lines
642 B
Plaintext
12 lines
642 B
Plaintext
|
10
|
||
|
|
Cyclopentadienone,^1A_1,CC3,aug-cc-pVTZ
|
||
|
|
C 0.00000000 0.00000000 0.76853878
|
||
|
|
C 0.00000000 1.19974276 -0.13448057
|
||
|
|
C 0.00000000 -1.19974276 -0.13448057
|
||
|
|
C 0.00000000 0.74909075 -1.39624830
|
||
|
|
C 0.00000000 -0.74909075 -1.39624830
|
||
|
|
O 0.00000000 0.00000000 1.98144505
|
||
|
|
H 0.00000000 2.21416694 0.22305399
|
||
|
|
H 0.00000000 -2.21416694 0.22305399
|
||
|
|
H 0.00000000 1.34284493 -2.29584273
|
||
|
|
H 0.00000000 -1.34284493 -2.29584273
|