%chk=000068827.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000068827

0 1
 O  -0.4252000     -0.6113000      -1.523700    
 O   -1.245800      -1.296600       1.175400    
 O    1.085900      -1.514500      0.9859000    
 O  -0.8936000      -1.913600      -1.066100    
 O    3.323800      -1.723000      0.9847000    
 C  -8.8200003E-02  0.2179000     -0.3851000    
 C   -1.185500       1.323400     -0.3610000    
 C    1.301600      0.8085000     -0.6947000    
 C  -0.8010000       2.522900      0.5493000    
 C  -2.3200000E-02 -0.5876000      0.9278000    
 C    1.660300       1.962100      0.2517000    
 C   -2.588000      0.7824000      8.8000000E-03
 C   0.5974000       3.053600      0.2112000    
 C    2.345800     -0.3230000     -0.7226000    
 C   -1.871300      -1.689400     -4.7600001E-02
 C   -2.916600     -0.6370000     -0.4718000    
 C   -1.808600       3.675200      0.4553000    
 C    2.316100      -1.202600      0.5133000    
 C    3.764000      0.1884000     -0.9898000    
 C   -2.547600      -3.035900      0.1990000    
 H   -1.273900       1.702800      -1.390900    
 H    1.272800       1.224400      -1.713600    
 H  -0.7895000       2.186600       1.594300    
 H   0.1099000      7.2800003E-02   1.789900    
 H    2.614400       2.414000     -4.1400000E-02
 H    1.786700       1.603700       1.279600    
 H   -3.351900       1.460200     -0.3929000    
 H   -2.712800      0.8092000       1.099700    
 H   0.8755000       3.846100      0.9167000    
 H   0.5895000       3.511200     -0.7868000    
 H    2.099400     -0.9953000      -1.556400    
 H   -3.892800     -0.8890000     -3.7400000E-02
 H   -3.049100     -0.6443000      -1.560600    
 H   -1.927900       4.014000     -0.5794000    
 H   -2.791700       3.380100      0.8342000    
 H   -1.477400       4.530400       1.054500    
 H    4.438900     -0.6475000      -1.206900    
 H    3.783900      0.8615000      -1.853100    
 H    4.178000      0.7153000     -0.1236000    
 H   -3.277100      -2.975500       1.013800    
 H   -3.045600      -3.402500     -0.7049000    
 H   -1.805100      -3.789100      0.4880000    


%chk=000068827-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000068827

0 1
O -0.375185 -0.618372 -1.542482
O -1.238019 -1.335207 1.190387
O 1.125282 -1.385950 1.191120
O -0.890252 -1.991776 -1.086825
O 3.318523 -1.899220 0.887997
C -0.078558 0.268672 -0.352671
C -1.192800 1.359580 -0.344295
C 1.328515 0.837973 -0.662391
C -0.818599 2.576898 0.561332
C -0.072016 -0.518994 0.979215
C 1.682914 1.986758 0.313087
C -2.583915 0.772501 0.034255
C 0.609273 3.095431 0.252928
C 2.357574 -0.322701 -0.738988
C -1.923355 -1.748950 -0.073960
C -2.914935 -0.637270 -0.516468
C -1.846869 3.724091 0.425175
C 2.343544 -1.233158 0.493375
C 3.793781 0.137837 -1.061838
C -2.539134 -3.116523 0.193729
H -1.235798 1.721430 -1.394012
H 1.266636 1.279158 -1.679756
H -0.835310 2.234145 1.619708
H -0.048991 0.184647 1.829265
H 2.666046 2.407625 0.034790
H 1.788010 1.606970 1.349804
H -3.366079 1.465180 -0.327301
H -2.671679 0.739420 1.137440
H 0.862193 3.904368 0.965179
H 0.615012 3.550647 -0.760065
H 2.007423 -0.978676 -1.563951
H -3.921865 -0.917155 -0.154213
H -2.947433 -0.636216 -1.620905
H -1.936909 4.046261 -0.630326
H -2.850031 3.430535 0.779335
H -1.528188 4.601292 1.018178
H 4.448899 -0.735653 -1.209386
H 3.801798 0.746704 -1.984509
H 4.226723 0.735799 -0.241300
H -3.124707 -3.064135 1.126956
H -3.200826 -3.413936 -0.636588
H -1.746190 -3.871032 0.321776


