sim/src/tests/heteroatom_organics/test_CH3OH.xyzcmp


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CH3OH.mmp
O -0.777000 0.475000 0.000000
C 0.416000 -0.292000 0.000000
H -0.531000 1.408000 0.000000
H 0.118000 -1.344000 0.000000
H 1.037000 -0.116000 0.892000
H 1.037000 -0.116000 -0.892000