#
# Number of atoms
#
 3
#
# The current total energy in Eh
#
     -5.070123981300
#
# The current gradient in Eh/bohr
#
      -0.008377591894
      -0.009332836846
      -0.007297711124
       0.004688751138
       0.004388014404
       0.003431157867
       0.003688840756
       0.004944822442
       0.003866553256
#
# The atomic numbers and current coordinates in Bohr
#
   8     1.7463773    0.0986767   -0.0997319 
   1     3.5707559    0.1789166   -0.0369954 
   1     1.2342827    1.4804000    0.9806980