sim/src/tests/singlebond_stretch/test_H2P_CH3.xyzcmp


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H2P_CH3.mmp
C 1.274000 0.058000 0.000000
P -0.599000 -0.084000 0.000000
H 1.632000 1.090000 0.000000
H 1.667000 -0.455000 0.883000
H 1.667000 -0.455000 -0.883000
H -0.857000 0.858000 -1.039000
H -0.857000 0.858000 1.039000