sim/src/tests/singlebond_stretch/test_H2Al_CH3.xyzcmp


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H2Al_CH3.mmp
C 1.304000 -0.001000 0.000000
Al -0.661000 -0.001000 0.000000
H 1.704000 1.024000 0.000000
H 1.713000 -0.496000 0.889000
H 1.713000 -0.496000 -0.889000
H -1.472000 0.006000 -1.369000
H -1.472000 0.006000 1.369000