sim/src/tests/heteroatom_organics/test_CH3PH2.xyzcmp


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CH3PH2.mmp
P -1.231000 0.083000 0.523000
C 0.151000 -0.207000 -0.713000
H -0.688000 1.243000 1.148000
H -0.755000 -0.790000 1.545000
H 0.015000 -1.192000 -1.167000
H 1.150000 -0.153000 -0.275000
H 0.071000 0.538000 -1.509000