%chk=000086427.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000086427

0 1
 O  -0.6281000       2.177800      -1.058800    
 N    2.363400     -0.3849000     -5.0900001E-02
 C    2.277100      0.9824000     -0.5514000    
 C    1.755900       1.914800      0.5440000    
 C    3.273400     -0.4578000       1.093500    
 C    2.805000      -1.294100      -1.109700    
 C   0.3640000       1.510100       1.037500    
 C  -0.6759000       1.446800     -7.2300002E-02
 C    3.305000      -1.869700       1.646400    
 C    1.859900      -1.215600      -2.293100    
 C   -1.776100      0.4467000      3.6200002E-02
 C   -2.209500      7.4500002E-02   1.289200    
 C   -2.318400     -6.7400001E-02  -1.120200    
 C   -3.239100     -0.8610000       1.390900    
 C   -3.348200      -1.002900      -1.018400    
 C   -3.808400      -1.399600      0.2372000    
 H    3.259800       1.342100     -0.8851000    
 H    1.607400       1.074400      -1.409100    
 H    2.448000       2.030000       1.383400    
 H    1.685600       2.920400      0.1067000    
 H    4.289000     -0.1325000      0.8360000    
 H    2.928100      0.1608000       1.925700    
 H    3.830300      -1.081400      -1.437100    
 H    2.770700      -2.334300     -0.7708000    
 H   1.5799999E-02   2.249500       1.768300    
 H   0.4310000      0.5451000       1.549700    
 H    2.297900      -2.279400       1.781600    
 H    3.888700      -2.553700       1.022600    
 H    3.786700      -1.865900       2.631100    
 H   0.8091000      -1.254700      -1.985300    
 H    2.023200     -0.3239000      -2.906300    
 H    2.032600      -2.073800      -2.953200    
 H   -1.798400      0.4932000       2.201900    
 H   -1.965800      0.2274000      -2.103800    
 H   -3.600900      -1.166800       2.368300    
 H   -3.790700      -1.423500      -1.916600    
 H   -4.610700      -2.127400      0.3163000    


%chk=000086427-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000086427

0 1
O -0.509647 1.783394 -1.334915
N 2.882881 -0.297549 0.029175
C 2.494245 1.069851 -0.416734
C 1.564218 1.784395 0.593593
C 3.999421 -0.275456 1.013825
C 3.136413 -1.226433 -1.107207
C 0.265512 0.996367 0.842825
C -0.751749 1.100404 -0.293347
C 4.023422 -1.513244 1.931341
C 1.841917 -1.718796 -1.782394
C -2.062802 0.370102 -0.158256
C -2.365062 -0.458321 0.956369
C -3.029262 0.517735 -1.190552
C -3.607754 -1.123303 1.035510
C -4.269768 -0.144756 -1.110902
C -4.562752 -0.968107 0.003700
H 3.394252 1.706239 -0.602697
H 1.957781 0.991278 -1.377091
H 2.091409 1.922129 1.557788
H 1.329620 2.790159 0.197199
H 4.989167 -0.164614 0.501314
H 3.874324 0.625089 1.643288
H 3.805947 -0.756535 -1.871791
H 3.681294 -2.103562 -0.712300
H -0.226743 1.321325 1.781730
H 0.542858 -0.070626 0.983082
H 3.072484 -1.593528 2.486874
H 4.161608 -2.448567 1.359444
H 4.853961 -1.440496 2.658514
H 1.204940 -2.243377 -1.048180
H 1.254709 -0.885642 -2.208715
H 2.078449 -2.417347 -2.606963
H -1.633239 -0.591452 1.759756
H -2.776872 1.158940 -2.041868
H -3.832228 -1.761812 1.897057
H -5.008362 -0.023485 -1.910965
H -5.527189 -1.484699 0.066893


