BH3.mol


  4  3  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0001 B   0  0  0  0  0
    1.2049    0.0000    0.0000 H   0  0  0  0  0
   -0.6027    1.0435    0.0000 H   0  0  0  0  0
   -0.6022   -1.0437   -0.0001 H   0  0  0  0  0
  1  2  1  0  0  0
  1  3  1  0  0  0
  1  4  1  0  0  0