sim/src/tests/heteroatom_organics/test_CH3SiH3.xyzcmp


1
2
3
4
5
6
7
8
9
10

8
CH3SiH3.mmp
Si -0.521000 -0.010000 0.511000
C 0.844000 -0.305000 -0.763000
H -0.371000 1.331000 1.146000
H -0.472000 -1.040000 1.588000
H -1.866000 -0.072000 -0.129000
H 0.742000 -1.293000 -1.223000
H 1.832000 -0.249000 -0.297000
H 0.801000 0.444000 -1.560000