sim/src/tests/singlebond_stretch/test_F_CH3.xyzcmp


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F_CH3.mmp
C 0.000000 0.000000 -0.750000
F 0.000000 0.000000 0.649000
H -0.519000 0.898000 -1.099000
H -0.519000 -0.898000 -1.099000
H 1.037000 0.000000 -1.099000