%chk=000055595.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000055595

0 1
 O   -2.587600     -8.1000000E-02   1.074300    
 O    2.892900      0.5063000       1.204100    
 O   -5.290200       1.152400     -0.9154000    
 O    5.637700     -4.4900000E-02  -1.021100    
 O   -2.057800      -2.651800      0.5237000    
 O   -4.903000     -0.9310000      9.9999997E-05
 O    5.204400       1.668000      0.4644000    
 C  -0.4045000     -0.9731000      0.6354000    
 C   -1.231300      4.9800001E-02   1.100000    
 C    1.540700      0.3560000       1.170700    
 C   0.9814000     -0.8200000      0.6707000    
 C  -0.6721000       1.225900       1.599800    
 C   0.7139000       1.378900       1.635200    
 C  -0.9685000      -2.209200      0.1109000    
 C   -3.316000      0.8756000      0.3077000    
 C    3.646500     -0.1704000      0.1991000    
 C  -0.2277000      -2.994000     -0.9649000    
 C   -4.578500      0.2314000     -0.2013000    
 C    4.902700      0.6131000     -7.7200003E-02
 C   -6.525200      0.6839000      -1.466400    
 C    6.869900      0.5828000      -1.390000    
 C   -7.188300       1.815400      -2.222600    
 C    7.560700     -0.2643000      -2.437400    
 H    1.616500      -1.639800      0.3486000    
 H   -1.302700       2.028200       1.973000    
 H    1.144000       2.296500       2.027100    
 H   -2.730900       1.213400     -0.5559000    
 H   -3.582800       1.718600      0.9529000    
 H    3.923800      -1.164000      0.5660000    
 H    3.098400     -0.2274000     -0.7495000    
 H   0.4502000      -3.710700     -0.4951000    
 H   0.3258000      -2.321700      -1.626100    
 H  -0.9569000      -3.530300      -1.579700    
 H   -7.181200      0.3453000     -0.6566000    
 H   -6.327600     -0.1511000      -2.147800    
 H    7.511400      0.6752000     -0.5066000    
 H    6.664600       1.579500      -1.796400    
 H   -8.137700       1.491300      -2.658100    
 H   -6.536400       2.176900      -3.024600    
 H   -7.375900       2.665200      -1.558100    
 H    7.756500      -1.270200      -2.051700    
 H    6.923600     -0.3808000      -3.320300    
 H    8.508500      0.1875000      -2.743000    


%chk=000055595-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000055595

0 1
O -2.663390 0.101020 -0.712958
O 2.854951 1.254420 -0.517115
O -5.886033 1.100000 -0.244281
O 6.141862 -0.254801 -0.363030
O -1.983642 -2.436429 0.086113
O -5.236091 -0.182136 -2.085824
O 5.518933 1.999433 -0.325992
C -0.392835 -0.703523 -0.523564
C -1.300536 0.399031 -0.621562
C 1.493941 0.890735 -0.547498
C 1.003869 -0.431374 -0.508602
C -0.795358 1.726598 -0.661309
C 0.586403 1.971796 -0.618154
C -0.860153 -2.130512 -0.400711
C -3.590820 1.223369 -0.887303
C 3.822279 0.176066 -0.419139
C 0.096801 -3.236604 -0.862529
C -4.960832 0.609459 -1.162774
C 5.218094 0.793389 -0.367051
C -7.292634 0.605981 -0.404715
C 7.585786 0.140407 -0.291361
C -8.119326 1.266913 0.692158
C 8.397012 -1.150065 -0.313164
H 1.694113 -1.276154 -0.444167
H -1.475201 2.580748 -0.719630
H 0.982441 2.991227 -0.639415
H -3.299487 1.839157 -1.763230
H -3.629618 1.852773 0.019794
H 3.667453 -0.427108 0.499828
H 3.766460 -0.506650 -1.291663
H 0.903166 -3.395788 -0.120066
H 0.567945 -3.002164 -1.833196
H -0.475526 -4.173583 -0.943017
H -7.276087 -0.495337 -0.322093
H -7.637613 0.871595 -1.420529
H 7.736741 0.722831 0.635403
H 7.805430 0.796958 -1.152305
H -9.169101 0.928426 0.622144
H -8.102059 2.365898 0.594833
H -7.734439 0.998304 1.690493
H 8.140811 -1.792795 0.546192
H 8.212506 -1.717390 -1.241240
H 9.475082 -0.912717 -0.259870


