%chk=000027078.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000027078

0 1
 O  -0.3381000      0.4965000      -1.826500    
 O   0.4037000       2.663800      -1.598100    
 N   -2.800800     -0.1634000     -0.5923000    
 N    5.258800     -0.8731000      0.7141000    
 C   -3.447400      -1.425000     -0.2509000    
 C   -3.557800      0.9667000     -5.1100001E-02
 C   -2.452200      -2.578700     -0.3637000    
 C   -3.243600       1.153900       1.432300    
 C   -2.660700     -3.2200001E-02  -2.043600    
 C   -1.276100      -2.390600      0.5972000    
 C   -1.758200       1.449500       1.650200    
 C  -0.2604000      -3.524800      0.4621000    
 C   -1.433400       1.602400       3.136000    
 C   -1.559500      0.9573000      -2.389400    
 C   0.8930000      -3.358900       1.438700    
 C   3.5300002E-02   1.929200       3.354400    
 C   0.5584000       1.458800      -1.473600    
 C    1.786400      0.8501000     -0.9026000    
 C    2.528400       1.543000      5.4000001E-02
 C    2.197800     -0.4148000      -1.322500    
 C    3.681900      0.9711000      0.5906000    
 C    3.351300     -0.9868000     -0.7860000    
 C    4.093200     -0.2939000      0.1706000    
 H   -3.825800      -1.426900      0.7776000    
 H   -4.317400      -1.615900     -0.8929000    
 H   -3.306900       1.908200     -0.5522000    
 H   -4.637600      0.8291000     -0.1939000    
 H   -2.973900      -3.509900     -0.1087000    
 H   -2.086300      -2.711100      -1.386800    
 H   -3.543700      0.2817000       2.022700    
 H   -3.836600       1.996400       1.810000    
 H   -3.606100      0.2642000      -2.516000    
 H   -2.372700     -0.9841000      -2.501600    
 H  -0.7577000      -1.448900      0.3903000    
 H   -1.644400      -2.341500       1.629100    
 H   -1.134400      0.6494000       1.241300    
 H   -1.487100       2.370200       1.118600    
 H   -1.435000      0.9887000      -3.477800    
 H   -1.814000       1.969800      -2.059700    
 H  -0.7497000      -4.488500      0.6442000    
 H   0.1351000      -3.548700     -0.5601000    
 H   -1.679300      0.6760000       3.668100    
 H   -2.046800       2.400000       3.571100    
 H    1.408400      -2.406600       1.282000    
 H   0.5361000      -3.387600       2.473200    
 H    1.620400      -4.166000       1.307700    
 H   0.6761000       1.132500       2.962900    
 H   0.3079000       2.865100       2.856200    
 H   0.2446000       2.039100       4.423000    
 H    2.218200       2.527300      0.3951000    
 H    1.644400     -0.9733000      -2.072800    
 H    4.250500       1.520300       1.336700    
 H    3.662000      -1.972900      -1.121700    
 H    5.557800      -1.790000      0.4094000    
 H    5.797900     -0.3709000       1.406900    


%chk=000027078-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000027078

0 1
O -0.218002 0.508076 -2.221192
O 0.032835 2.462993 -0.955185
N -2.782869 -0.091423 -0.670792
N 5.468841 -0.816992 0.450332
C -3.382410 -1.373165 -0.211022
C -3.492538 1.103555 -0.137459
C -2.429686 -2.587338 -0.300199
C -3.313470 1.331663 1.381321
C -2.626537 -0.046214 -2.140727
C -1.167547 -2.455375 0.579406
C -1.843133 1.513761 1.814774
C -0.233761 -3.681979 0.477224
C -1.690398 1.807926 3.323276
C -1.570107 0.950835 -2.638747
C 1.014655 -3.564108 1.378877
C -0.215573 1.990148 3.744860
C 0.472759 1.340348 -1.320913
C 1.756407 0.747011 -0.887529
C 2.568599 1.481407 0.019647
C 2.209745 -0.522885 -1.337280
C 3.794742 0.970806 0.466679
C 3.436335 -1.043178 -0.897847
C 4.252374 -0.304353 0.012809
H -3.673838 -1.245315 0.847282
H -4.325870 -1.600748 -0.774279
H -3.089294 1.992268 -0.657138
H -4.588189 1.056437 -0.377380
H -3.004513 -3.487717 0.003638
H -2.123032 -2.764010 -1.351529
H -3.772293 0.502355 1.958076
H -3.893803 2.240384 1.646826
H -3.590186 0.208101 -2.660835
H -2.335928 -1.051170 -2.493180
H -0.621066 -1.538936 0.285489
H -1.472388 -2.313899 1.638275
H -1.273451 0.601629 1.551353
H -1.386593 2.333941 1.225639
H -1.559295 0.960081 -3.743552
H -1.734360 1.975066 -2.262964
H -0.799249 -4.599526 0.743519
H 0.083328 -3.808830 -0.578915
H -2.144442 0.981631 3.909661
H -2.263800 2.722846 3.581311
H 1.615243 -2.676544 1.104598
H 0.724803 -3.457876 2.441630
H 1.663834 -4.456066 1.293876
H 0.373189 1.080066 3.521759
H 0.248104 2.828990 3.192003
H -0.121694 2.200856 4.826725
H 2.210739 2.458119 0.362585
H 1.586132 -1.091724 -2.032865
H 4.408793 1.549012 1.167719
H 3.774542 -2.024464 -1.252503
H 5.797343 -1.724699 0.133361
H 6.049973 -0.296477 1.101303


