mirror of
https://github.com/pfloos/quack
synced 2024-11-03 20:53:53 +01:00
11 lines
573 B
Plaintext
11 lines
573 B
Plaintext
|
9
|
||
|
|
Thiophene,^1A_1,CC3,aug-cc-pVTZ
|
||
|
|
C 0.00000000 1.23479556 -0.05216852
|
||
|
|
C 0.00000000 -1.23479556 -0.05216852
|
||
|
|
C 0.00000000 0.71106451 -1.31393498
|
||
|
|
C 0.00000000 -0.71106451 -1.31393498
|
||
|
|
S 0.00000000 0.00000000 1.14964115
|
||
|
|
H 0.00000000 2.27031849 0.23589289
|
||
|
|
H 0.00000000 -2.27031849 0.23589289
|
||
|
|
H 0.00000000 1.31638150 -2.20544335
|
||
|
|
H 0.00000000 -1.31638150 -2.20544335
|