%chk=000095836.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000095836

0 1
 O   -2.780300     -0.4986000       1.099700    
 O  -0.2249000     -0.6483000     -2.9200001E-02
 O    3.288400     -0.8127000      0.3313000    
 O    1.351500      -2.278400     -0.4705000    
 C   -2.594500     -0.7944000     -0.2959000    
 C   -2.621500      0.4708000      -1.159700    
 C   -1.263200      -1.521800     -0.4361000    
 C    2.031100     -0.1287000      0.3605000    
 C   -3.951300       1.200800     -0.9794000    
 C    1.999600       1.093400     -0.5522000    
 C    3.096300       2.074400     -0.1428000    
 C    1.046100      -1.154400     -9.5399998E-02
 C   -4.356100       1.211700      0.4593000    
 C   -3.760000      0.4229000       1.361200    
 C    4.360100       1.344600      0.1839000    
 C    4.378500      1.8500000E-02  0.3654000    
 H   -3.398400      -1.475700     -0.6047000    
 H   -2.466800      0.2294000      -2.217300    
 H   -1.816200       1.153300     -0.8579000    
 H    1.806200      0.1320000       1.402400    
 H   -1.105700      -1.830700      -1.475900    
 H   -1.256200      -2.406400      0.2118000    
 H    1.024700       1.593400     -0.5265000    
 H    2.170900      0.7826000      -1.592000    
 H   -4.736600      0.7099000      -1.565700    
 H   -3.857800       2.227400      -1.350200    
 H    2.782200       2.651100      0.7347000    
 H    3.273700       2.785000     -0.9574000    
 H   -5.134800       1.898900      0.7735000    
 H   -3.990100      0.4492000       2.416900    
 H    5.283500       1.911000      0.2471000    
 H    5.283800     -0.5437000      0.5458000    


%chk=000095836-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000095836

0 1
O -2.978077 -0.801402 1.098609
O -0.282587 -0.495658 -0.133647
O 3.049912 -0.551250 0.913259
O 1.314045 -2.051769 -0.825468
C -2.704926 -0.754466 -0.363813
C -2.810062 0.684215 -0.908957
C -1.356610 -1.430272 -0.569419
C 2.006182 0.134985 0.119238
C -4.232041 1.246854 -0.663471
C 2.610686 0.868863 -1.103647
C 3.630083 1.932177 -0.627813
C 1.025540 -0.948517 -0.320612
C -4.681282 0.931738 0.752679
C -4.043722 0.010781 1.523117
C 4.538671 1.344249 0.436294
C 4.235818 0.186493 1.080231
H -3.475132 -1.390564 -0.853317
H -2.563979 0.686217 -1.987577
H -2.059401 1.307742 -0.392879
H 1.485054 0.854505 0.778638
H -1.199067 -1.683981 -1.633833
H -1.285310 -2.352906 0.032055
H 1.797161 1.331027 -1.692158
H 3.112064 0.118563 -1.742274
H -4.947609 0.833387 -1.404357
H -4.228448 2.342694 -0.821520
H 3.103135 2.830952 -0.246375
H 4.233076 2.272810 -1.491446
H -5.516940 1.486282 1.191638
H -4.288377 -0.200410 2.567727
H 5.488083 1.835768 0.670644
H 4.886259 -0.312609 1.803153


