mirror of
https://github.com/pfloos/quack
synced 2024-11-14 18:13:59 +01:00
10 lines
521 B
Plaintext
10 lines
521 B
Plaintext
|
8
|
||
|
|
Streptocyanine-C1,^1A_1,CC3,aug-cc-pVTZ
|
||
|
|
C 0.00000000 0.00000000 0.42592856
|
||
|
|
N 0.00000000 1.16113896 -0.17770068
|
||
|
|
N 0.00000000 -1.16113896 -0.17770068
|
||
|
|
H 0.00000000 0.00000000 1.50517557
|
||
|
|
H 0.00000000 1.25403524 -1.18203359
|
||
|
|
H 0.00000000 -1.25403524 -1.18203359
|
||
|
|
H 0.00000000 2.00776527 0.36724478
|
||
|
|
H 0.00000000 -2.00776527 0.36724478
|