%chk=000055859.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000055859

0 1
 O   -1.790800      -4.159200      0.3315000    
 N   -3.203600       2.241000     -0.1439000    
 N    3.469800     -0.9954000       2.090800    
 C  -0.7696000       1.647400     -0.6882000    
 C   -2.285000       1.323100     -0.8120000    
 C  -6.7400001E-02  0.3115000      -1.102700    
 C  -0.3961000       2.133400      0.7287000    
 C   -2.313900     -0.1203000     -0.3774000    
 C   -1.048800     -0.7091000     -0.5638000    
 C   -1.389100       3.164900       1.244700    
 C   -2.799800       2.593400       1.214900    
 C    1.393900      0.2051000     -0.7307000    
 C   -3.397700     -0.8734000      4.8799999E-02
 C  -0.8665000      -2.067900     -0.3510000    
 C    1.765900     -0.3430000      0.4985000    
 C    2.376100      0.6563000      -1.614900    
 C   -1.950000      -2.825900      9.8899998E-02
 C   -3.204600      -2.232500      0.3012000    
 C    3.114200     -0.4399000      0.8420000    
 C    3.724500      0.5595000      -1.271400    
 C    4.093500      1.1500000E-02 -4.2900000E-02
 C    5.545100     -8.0600001E-02  0.2989000    
 H  -0.5028000       2.448800      -1.390500    
 H   -2.549200       1.330100      -1.878500    
 H  -0.1360000      0.2181000      -2.197700    
 H   0.6099000       2.568800      0.7226000    
 H  -0.3791000       1.297700       1.438100    
 H   -1.126600       3.448100       2.270300    
 H   -1.334900       4.075500      0.6352000    
 H   -4.152000       1.870000     -0.1485000    
 H   -2.877000       1.723400       1.877800    
 H   -3.496600       3.346300       1.599400    
 H   -4.380600     -0.4326000      0.1741000    
 H   9.2299998E-02  -2.541900     -0.5349000    
 H    1.019400     -0.6817000       1.211900    
 H    2.101300       1.087900      -2.573700    
 H   -4.046900      -2.830700      0.6401000    
 H    4.474200      0.9166000      -1.972500    
 H   -2.637500      -4.529800      0.6342000    
 H    5.837800      -1.124300      0.4547000    
 H    6.177700      0.3166000     -0.5026000    
 H    5.764900      0.4989000       1.201700    
 H    4.438200      -1.082000       2.365500    
 H    2.745700      -1.320500       2.718100    


%chk=000055859-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000055859

0 1
O -1.748324 -4.229551 0.364876
N -3.176095 2.339430 -0.187299
N 3.546189 -0.987582 2.085902
C -0.781744 1.673756 -0.681885
C -2.306809 1.348869 -0.839700
C -0.093302 0.315341 -1.110109
C -0.447343 2.084657 0.774454
C -2.361004 -0.126443 -0.399838
C -1.084251 -0.724288 -0.574763
C -1.410543 3.172478 1.299823
C -2.863921 2.661791 1.220086
C 1.378071 0.173614 -0.736929
C -3.450578 -0.894542 0.040495
C -0.890097 -2.094560 -0.332175
C 1.794165 -0.363147 0.501890
C 2.368340 0.629275 -1.644269
C -1.992919 -2.860940 0.118894
C -3.267633 -2.273770 0.312140
C 3.169713 -0.447628 0.850494
C 3.735495 0.552965 -1.298746
C 4.167189 0.022546 -0.063258
C 5.639195 -0.059452 0.295764
H -0.494833 2.494081 -1.365371
H -2.549530 1.382073 -1.924818
H -0.149303 0.277347 -2.221259
H 0.603277 2.422893 0.828352
H -0.527994 1.198181 1.435597
H -1.158524 3.431630 2.346349
H -1.323681 4.092404 0.690012
H -4.174025 2.186982 -0.371086
H -2.971585 1.785995 1.907803
H -3.569015 3.442730 1.560601
H -4.439043 -0.439830 0.181700
H 0.079444 -2.581551 -0.472433
H 1.043133 -0.729225 1.212833
H 2.070064 1.039972 -2.616159
H -4.108347 -2.884149 0.668371
H 4.492107 0.909227 -2.009163
H -2.577749 -4.682755 0.656770
H 5.965268 -1.104566 0.476716
H 6.266158 0.340948 -0.518524
H 5.875649 0.523583 1.209637
H 4.523086 -1.071574 2.346035
H 2.843949 -1.344017 2.726989


