#
# Number of atoms
#
 3
#
# The current total energy in Eh
#
     -5.070544447410
#
# The current gradient in Eh/bohr
#
       0.000119650149
       0.000169097466
       0.000010744102
      -0.000276673954
       0.000068538275
       0.000004356294
       0.000157023805
      -0.000237635741
      -0.000015100396
#
# The atomic numbers and current coordinates in Bohr
#
   8     2.0038506   -0.1296912   -0.0820590 
   1     3.8161227   -0.0942715   -0.0798168 
   1     1.4332302    1.5873057    0.0270438