sim/src/tests/singlebond_stretch/test_HO_CH3.xyzcmp


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HO_CH3.mmp
C -0.732000 -0.002000 0.000000
O 0.694000 0.053000 0.000000
H -1.083000 1.033000 0.000000
H -1.126000 -0.503000 0.895000
H -1.126000 -0.503000 -0.895000
H 1.039000 -0.848000 0.000000