sim/src/tests/singlebond_stretch/test_HS_BH2.xyzcmp


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HS_BH2.mmp
S -0.521000 -0.072000 0.000000
B 1.257000 0.078000 0.000000
H -0.865000 1.234000 0.000000
H 1.794000 1.139000 0.000000
H 1.856000 -0.950000 0.000000