       2
GEOMETRY FILE / created by CPMD
  H      4.360837374820      4.122061112917      4.053948857892             -0.000174334790      0.000076801506      0.000031973525
  H      3.639162625180      3.877938887083      3.946051142108              0.000174334790     -0.000076801506     -0.000031973525
