#
# Number of atoms
#
 18
#
# The current total energy in Eh
#
    -25.474385516520
#
# The current gradient in Eh/bohr
#
      -0.000136215505
      -0.000372377899
       0.000001125693
      -0.000132249935
       0.000376634673
       0.000002669203
       0.000357078532
      -0.000224212188
       0.000007912916
      -0.000003964442
       0.000017074061
      -0.000008976009
      -0.000353164526
      -0.000221756001
       0.000006723727
       0.000135880120
       0.000372858276
       0.000002848800
       0.000131832079
      -0.000373743978
       0.000001854847
      -0.000350246704
       0.000220407573
       0.000009477425
       0.000002173643
      -0.000012418889
      -0.000013471275
       0.000348731937
       0.000220360870
       0.000011264482
      -0.000020605813
      -0.000175411648
       0.000006625481
      -0.000021212117
       0.000174448040
       0.000000948031
       0.000114956161
       0.000060577107
      -0.000013873284
      -0.000115141875
       0.000061148015
      -0.000002672329
       0.000020795481
       0.000175133815
       0.000005963698
       0.000021199049
      -0.000175385467
      -0.000000735846
      -0.000115264276
      -0.000061390100
      -0.000010707029
       0.000115418193
      -0.000061946260
      -0.000006978532
#
# The atomic numbers and current coordinates in Bohr
#
   6     4.5571258   -1.3287702   -0.0053890 
   6     4.5586789    1.3246830   -0.0046449 
   6     2.3301840    2.6290412   -0.0054059 
   6    -0.0043626    1.3419232   -0.0066633 
   6    -2.3374022    2.6317647   -0.0063895 
   6    -4.5674083    1.3299860   -0.0071734 
   6    -4.5689557   -1.3234642   -0.0086870 
   6    -2.3404501   -2.6278162   -0.0090882 
   6    -0.0059212   -1.3406585   -0.0078041 
   6     2.3271077   -2.6305315   -0.0071662 
   1     6.3357317   -2.3312669   -0.0045097 
   1     6.3384594    2.3250895   -0.0035117 
   1     2.3219079    4.6720601   -0.0051436 
   1    -2.3267515    4.6747709   -0.0055138 
   1    -6.3460252    2.3324659   -0.0065981 
   1    -6.3487246   -2.3238910   -0.0095580 
   1    -2.3321575   -4.6708323   -0.0104583 
   1     2.3164424   -4.6735365   -0.0081448