#
# Number of atoms
#
 22
#
# The current total energy in Eh
#
    -24.300689883530
#
# The current gradient in Eh/bohr
#
      -0.000078011731
       0.000077990155
      -0.000172228341
       0.000077300972
      -0.000042371283
       0.000161175655
      -0.000052245246
      -0.000103228073
       0.000049462422
       0.000001820626
       0.000105051957
       0.000094782729
       0.000086221104
      -0.000080609774
      -0.000172014815
      -0.000078903466
       0.000042802807
       0.000160254314
       0.000050604245
       0.000099415702
       0.000049911283
      -0.000002512022
      -0.000100677629
       0.000095940374
       0.000056324030
      -0.000026054592
       0.000017365028
      -0.000013951222
      -0.000000307285
      -0.000009022819
       0.000004009247
       0.000094374895
      -0.000051467186
      -0.000008807355
      -0.000037453860
      -0.000046442953
       0.000063131670
      -0.000001043091
      -0.000026363600
       0.000023364226
       0.000005993197
      -0.000031768002
      -0.000049385865
      -0.000001522204
       0.000014911885
       0.000012879917
      -0.000000298953
      -0.000007152993
      -0.000062772195
       0.000028037742
       0.000014978945
      -0.000006117115
      -0.000093207811
      -0.000053946988
       0.000010826250
       0.000036672974
      -0.000043812282
      -0.000063088326
       0.000003364246
      -0.000026478385
      -0.000022753307
      -0.000009224066
      -0.000032077644
       0.000052065564
       0.000002294948
       0.000013993374
#
# The atomic numbers and current coordinates in Bohr
#
   6    -3.1707575    0.2177972    1.6020414 
   6    -2.8099636   -1.9153359   -0.2995915 
   6    -0.1693597   -1.4539744   -1.3830761 
   6     1.9809828   -2.5062842    0.2758215 
   6     3.1608987   -0.2282573    1.6062985 
   6     2.8030447    1.9100763   -0.2900301 
   6     0.1641039    1.4516803   -1.3788482 
   6    -1.9888064    2.4994425    0.2795973 
   1    -2.1624375   -0.2154170    3.3453092 
   1    -5.1516399    0.5292905    2.0710045 
   1    -4.2110958   -1.7429666   -1.8049678 
   1    -3.0006371   -3.7835331    0.5439859 
   1    -0.0290829   -2.2380751   -3.2862394 
   1     3.3966523   -3.4147175   -0.9171384 
   1     1.2960176   -3.9106360    1.6159815 
   1     5.1410759   -0.5410329    2.0774044 
   1     2.1499317    0.2001714    3.3492010 
   1     4.2064587    1.7419051   -1.7937487 
   1     2.9924414    3.7759296    0.5590142 
   1     0.0267864    2.2409994   -3.2800674 
   1    -3.4027000    3.4110120   -0.9131000 
   1    -1.3059498    3.9002107    1.6245537