4
1
mirror of https://github.com/pfloos/quack synced 2024-10-31 19:23:52 +01:00
quack/mol/streptocyanine-c5.xyz
2020-10-12 14:30:00 +02:00

18 lines
998 B
Plaintext

16
Streptocyanine-C5,^1A_1,CC3/cc-pVTZ
C 0.00000000 0.00000000 0.24795892
C 0.00000000 1.23531029 -0.38408683
C 0.00000000 -1.23531029 -0.38408683
C 0.00000000 2.38992520 0.37451764
C 0.00000000 -2.38992520 0.37451764
N 0.00000000 3.62239341 -0.10342271
N 0.00000000 -3.62239341 -0.10342271
H 0.00000000 0.00000000 1.33181441
H 0.00000000 1.29625530 -1.46127206
H 0.00000000 -1.29625530 -1.46127206
H 0.00000000 2.31129176 1.45253262
H 0.00000000 -2.31129176 1.45253262
H 0.00000000 4.41659809 0.51113834
H 0.00000000 -4.41659809 0.51113834
H 0.00000000 3.80023786 -1.09357830
H 0.00000000 -3.80023786 -1.09357830