summaryrefslogtreecommitdiff
path: root/sim/src/tests/heteroatom_organics/test_C3H6SiH2.xyzcmp
blob: f80856d16df18e1c03f7eb18fb87744e2a0346ac (plain)
1
2
3
4
5
6
7
8
9
10
11
12
13
14
12
C3H6SiH2.mmp
Si 0.282000 1.026000 -0.083000
C -0.127000 -0.436000 -1.242000
C -0.024000 -0.379000 1.171000
C -0.737000 -1.152000 0.011000
H -0.765000 2.089000 -0.064000
H 1.618000 1.691000 -0.155000
H 0.782000 -0.943000 -1.585000
H -0.797000 -0.314000 -2.095000
H 0.912000 -0.869000 1.462000
H -0.619000 -0.214000 2.073000
H -1.815000 -0.958000 0.054000
H -0.598000 -2.239000 0.031000