mirror of
https://github.com/pfloos/quack
synced 2024-12-22 12:23:50 +01:00
14 lines
765 B
Plaintext
14 lines
765 B
Plaintext
12
|
|
Streptocyanine-C3,^1A_1,CC3,aug-cc-pVTZ
|
|
C 0.00000000 0.00000000 0.34618316
|
|
C 0.00000000 1.18691749 -0.36461007
|
|
C 0.00000000 -1.18691749 -0.36461007
|
|
N 0.00000000 2.39335839 0.16339289
|
|
N 0.00000000 -2.39335839 0.16339289
|
|
H 0.00000000 0.00000000 1.42697001
|
|
H 0.00000000 1.15616841 -1.44693238
|
|
H 0.00000000 -1.15616841 -1.44693238
|
|
H 0.00000000 3.21450444 -0.41770640
|
|
H 0.00000000 -3.21450444 -0.41770640
|
|
H 0.00000000 2.53317112 1.16129363
|
|
H 0.00000000 -2.53317112 1.16129363 |