mirror of
https://github.com/pfloos/quack
synced 2024-11-19 04:22:39 +01:00
12 lines
632 B
Plaintext
12 lines
632 B
Plaintext
10
|
|
Pyrrole,^1A_1,CC3,aug-cc-pVTZ
|
|
C 0.00000000 1.12145687 0.33167012
|
|
C 0.00000000 -1.12145687 0.33167012
|
|
C 0.00000000 0.71210775 -0.98166028
|
|
C 0.00000000 -0.71210775 -0.98166028
|
|
N 0.00000000 0.00000000 1.11621673
|
|
H 0.00000000 0.00000000 2.11807071
|
|
H 0.00000000 2.10426476 0.76640842
|
|
H 0.00000000 -2.10426476 0.76640842
|
|
H 0.00000000 1.35853844 -1.84067536
|
|
H 0.00000000 -1.35853844 -1.84067536 |