path: root/sim/src/tests/singlebond_stretch/test_Cl_CH3.xyzcmp

5
Cl_CH3.mmp
C 0.000000 0.000000 -1.242000
Cl 0.000000 0.000000 0.564000
H -0.517000 0.896000 -1.587000
H -0.517000 -0.896000 -1.587000
H 1.034000 0.000000 -1.587000