#
# Number of atoms
#
 7
#
# The current total energy in Eh
#
   -575.529150414660
#
# The current gradient in Eh/bohr
#
      -0.001765854000
      -0.001114263223
       0.002767501888
      -0.000609615883
       0.000157873830
      -0.000065614706
       0.006021986511
       0.001498035489
       0.000387360900
      -0.002411296411
       0.001748929339
      -0.001757624591
      -0.000451480383
      -0.001450099861
      -0.000899712749
       0.000395390082
       0.000742534137
      -0.000950803006
      -0.001204513667
      -0.001603373215
       0.000416384607
#
# The atomic numbers and current coordinates in Bohr
#
   6    -6.0765024    2.0048026   -0.1440129 
  17    -9.7285432    2.4756010   -0.1825225 
   8    -1.2228722    2.7902323    0.1706246 
   1    -5.0063025    3.7822956   -0.0177036 
   1    -5.6697959    0.7728272    1.4592995 
   1    -5.6692488    1.0583852   -1.9383996 
   1    -1.2600672    2.5121353   -1.6516742