H2.mol
  -ISIS-            3D

  2  1  0  0  0  0  0  0  0  0  0
   -0.3759    0.0000    0.0000 H   0  0  0  0  0
    0.3760    0.0000    0.0000 H   0  0  0  0  0
  1  2  1  0  0  0