sim/src/tests/singlebond_stretch/test_H_CH3.xyzcmp


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H_CH3.mmp
C 0.000000 0.000000 0.000000
H 0.000000 0.000000 1.093000
H -0.516000 0.893000 -0.363000
H -0.516000 -0.893000 -0.363000
H 1.031000 0.000000 -0.363000