sim/src/tests/rigid_organics/test_C3H6.xyzcmp


1
2
3
4
5
6
7
8
9
10
11

9
C3H6.mmp
C -0.800000 0.808000 0.000000
C 0.673000 0.486000 0.000000
C -0.343000 -0.629000 0.000000
H -1.239000 1.207000 -0.910000
H -1.238000 1.208000 0.911000
H 1.239000 0.666000 0.910000
H 1.237000 0.665000 -0.911000
H -0.470000 -1.208000 -0.910000
H -0.469000 -1.208000 0.911000