%chk=000085497.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000085497

0 1
 O   -3.948100       1.175100      0.6882000    
 O    4.041800       1.052600      0.6538000    
 O   -3.909600      2.7000001E-03 -0.1781000    
 O    3.898600     -0.1616000     -0.1411000    
 O   -4.030400      -1.075300       1.862300    
 O    3.877500      -1.117300       1.962100    
 C  -8.5400000E-02  -2.513700     -0.9905000    
 C   -1.374000      -2.394000     -0.1737000    
 C    1.150100      -2.445200     -8.9100003E-02
 C   -2.642100      -2.433100      -1.030500    
 C    2.440900      -2.526900     -0.9102000    
 C   -3.930500      -2.339800     -0.2137000    
 C    3.692700      -2.494700     -3.3599999E-02
 C   -3.423100       2.238500     -9.3900003E-02
 C    3.630200       2.111600     -0.1991000    
 C   -3.967600      -1.092300      0.6406000    
 C    3.842100      -1.204700      0.7424000    
 C   -1.990100       1.888100     -0.4921000    
 C   -3.448100       3.499100      0.7677000    
 C   -4.304400       2.414200      -1.329700    
 C    4.546600       2.135800      -1.421600    
 C    3.753900       3.412900      0.5906000    
 C    2.179000       1.868300     -0.6107000    
 H  -8.7800004E-02  -3.459900      -1.544700    
 H  -4.6900000E-02  -1.704400      -1.729700    
 H   -1.339600      -1.456200      0.3935000    
 H   -1.412500      -3.207800      0.5612000    
 H    1.128600      -1.508600      0.4804000    
 H    1.122200      -3.267100      0.6364000    
 H   -2.661300      -3.366400      -1.606200    
 H   -2.605900      -1.616100      -1.761600    
 H    2.465800      -1.706000      -1.636600    
 H    2.444100      -3.459900      -1.486900    
 H   -4.810200      -2.344700     -0.8663000    
 H   -4.015500      -3.207600      0.4504000    
 H    4.592100      -2.627500     -0.6454000    
 H    3.670400      -3.323000      0.6841000    
 H   -1.394500       1.622700      0.3891000    
 H   -1.941200       1.030200      -1.171700    
 H   -1.502500       2.730000     -0.9954000    
 H   -2.855000       3.359700       1.678900    
 H   -4.469000       3.727000       1.095100    
 H   -3.055300       4.367000      0.2280000    
 H   -4.253100       1.554700      -2.007200    
 H   -5.356800       2.526700      -1.044600    
 H   -4.007200       3.298900      -1.903500    
 H    5.599300       2.173500      -1.118300    
 H    4.432800       1.244200      -2.048000    
 H    4.339100       3.006600      -2.053100    
 H    4.785000       3.566700      0.9291000    
 H    3.133600       3.380600       1.493700    
 H    3.452000       4.279700     -6.2000002E-03
 H    2.064800      0.9824000      -1.245100    
 H    1.546200       1.706100      0.2697000    
 H    1.778300       2.721500      -1.169000    


%chk=000085497-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000085497

0 1
O -4.539719 1.335991 0.204141
O 4.564150 1.203211 0.200980
O -4.268970 0.014004 -0.522737
O 4.301251 -0.212136 -0.324494
O -4.060915 -0.957557 1.628988
O 3.671969 -0.767309 1.892247
C -0.038773 -2.576414 -0.968765
C -1.380196 -2.439524 -0.214479
C 1.190713 -2.474890 -0.038356
C -2.597721 -2.445904 -1.165001
C 2.524381 -2.643089 -0.799180
C -3.965673 -2.343155 -0.433335
C 3.783193 -2.490538 0.101284
C -3.402081 2.290965 -0.072759
C 3.568971 2.151687 -0.425219
C -4.100388 -1.065339 0.393708
C 3.897427 -1.097352 0.717828
C -2.078297 1.718051 0.465956
C -3.886845 3.499256 0.759127
C -3.343595 2.606629 -1.578943
C 3.753322 2.168662 -1.954138
C 4.035059 3.469423 0.233129
C 2.135221 1.777427 -0.005185
H -0.016102 -3.546151 -1.508959
H 0.027406 -1.786579 -1.746913
H -1.371100 -1.503011 0.379120
H -1.478758 -3.264298 0.520485
H 1.172484 -1.496131 0.482627
H 1.119991 -3.245063 0.756675
H -2.598456 -3.384995 -1.753363
H -2.511848 -1.614959 -1.891693
H 2.582874 -1.910875 -1.627877
H 2.556955 -3.649630 -1.261230
H -4.784409 -2.382547 -1.173801
H -4.086827 -3.184823 0.270922
H 4.690355 -2.698000 -0.493608
H 3.741035 -3.204954 0.942025
H -2.208363 1.363421 1.502279
H -1.731687 0.873291 -0.155307
H -1.292843 2.495796 0.451062
H -3.920616 3.248320 1.832564
H -4.893798 3.816333 0.437710
H -3.190118 4.343884 0.612221
H -3.156049 1.686743 -2.158849
H -4.297348 3.044394 -1.920808
H -2.529864 3.324683 -1.789601
H 4.787835 2.449476 -2.216457
H 3.544579 1.172267 -2.379693
H 3.061601 2.897233 -2.415379
H 5.096121 3.667140 0.003581
H 3.912312 3.426223 1.328433
H 3.429147 4.305023 -0.160515
H 1.815789 0.836132 -0.486574
H 2.076885 1.651148 1.089085
H 1.430334 2.571711 -0.312761


