4
1
mirror of https://github.com/pfloos/quack synced 2024-11-06 22:24:03 +01:00
quack/mol/butadiene.xyz
2021-03-08 17:00:05 +01:00

13 lines
610 B
Plaintext

10
C 0.60673471 0.00000000 0.39936380
C -0.60673471 0.00000000 -0.39936380
C 1.84223863 0.00000000 -0.11897388
C -1.84223863 0.00000000 0.11897388
H 0.48033933 0.00000000 1.47579018
H -0.48033933 0.00000000 -1.47579018
H 1.99778057 0.00000000 -1.19009558
H -1.99778057 0.00000000 1.19009558
H 2.71819794 0.00000000 0.51257105
H -2.71819794 0.00000000 -0.51257105