sim/src/tests/singlebond_stretch/test_H3C_CH3.xyzcmp


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H3C_CH3.mmp
C 0.000000 0.000000 0.767000
C 0.000000 0.000000 -0.767000
H -0.885000 -0.511000 -1.164000
H 0.885000 -0.511000 -1.164000
H 0.000000 -1.022000 1.164000
H 0.885000 0.511000 1.164000
H -0.885000 0.511000 1.164000
H 0.000000 1.022000 -1.164000