#
# Number of atoms
#
 12
#
# The current total energy in Eh
#
    -15.879640652450
#
# The current gradient in Eh/bohr
#
       0.000083151256
       0.000032627904
      -0.000000801280
      -0.000011773444
      -0.000092719019
      -0.000008798638
       0.000004092498
      -0.000045349095
       0.000008265502
      -0.000095719643
       0.000023986034
      -0.000000346361
      -0.000010542094
       0.000056660251
      -0.000008827102
       0.000027808309
       0.000031909554
       0.000010537622
      -0.000055844305
      -0.000000629739
       0.000001035977
      -0.000012931289
       0.000055053936
       0.000010215618
       0.000028823167
       0.000043789233
      -0.000010112181
       0.000056885559
      -0.000009417128
       0.000000682946
       0.000014817015
      -0.000052034477
       0.000010200866
      -0.000028767027
      -0.000043877452
      -0.000012052970
#
# The atomic numbers and current coordinates in Bohr
#
   6     2.5938463   -0.4162363    0.0103377 
   6     0.9500210   -2.4517633   -0.0164952 
   6    -1.6347236   -2.0458335   -0.0259782 
   6    -2.5758034    0.3955182   -0.0084365 
   6    -0.9319776    2.4309707    0.0184779 
   6     1.6528189    2.0250743    0.0277733 
   1     4.6108664   -0.7330783    0.0176863 
   1     1.6844131   -4.3568328   -0.0299365 
   1    -2.9175367   -3.6341720   -0.0471728 
   1    -4.5928432    0.7121836   -0.0157500 
   1    -1.6662937    4.3360760    0.0323392 
   1     2.9355884    3.6134472    0.0485120