%chk=000098101.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000098101

0 1
 O    1.846500      0.2407000     -9.7099997E-02
 O   -1.689800       1.841100       1.800700    
 O   0.1819000      0.8335000      -1.564300    
 O   -2.344500       3.647700      -1.242300    
 O   -3.747000       5.214200     -0.3899000    
 N  -0.2911000     -0.1192000      0.4979000    
 N   -3.319100       1.666900      0.1547000    
 C   -1.728700     -0.1350000      0.3976000    
 C   -2.354400      -1.266200       1.221600    
 C   -2.272100      -2.605700      0.5311000    
 C   -2.230000       1.218300      0.8890000    
 C   -3.301000      -3.018200     -0.3156000    
 C   -1.166900      -3.431000      0.7391000    
 C   0.5436000      0.3633000     -0.4907000    
 C   -3.224900      -4.256000     -0.9540000    
 C   -1.090900      -4.668800      0.1005000    
 C   -3.957400       2.943600      0.3813000    
 C   -2.119900      -5.081300     -0.7461000    
 C    2.827300      0.7051000      -1.031600    
 C    4.194700      0.4997000     -0.4489000    
 C    4.783300       1.504000      0.3198000    
 C    4.877200     -0.6956000     -0.6754000    
 C   -3.356200       4.054300     -0.4409000    
 C    6.054300       1.313100      0.8617000    
 C    6.148300     -0.8864000     -0.1334000    
 C    6.736700      0.1180000      0.6352000    
 H   -1.988700     -0.2435000     -0.6633000    
 H   -3.412100      -1.046300       1.421100    
 H   -1.885900      -1.332600       2.213000    
 H   0.1385000     -0.4352000       1.362500    
 H   -4.165900      -2.383000     -0.4877000    
 H  -0.3587000      -3.121500       1.396400    
 H   -3.690100       1.085800     -0.5913000    
 H   -4.025700      -4.576900      -1.613800    
 H  -0.2304000      -5.311400      0.2622000    
 H   -5.009700       2.833700      0.1050000    
 H   -3.868700       3.206400       1.439500    
 H   -2.060500      -6.044900      -1.243500    
 H    2.662200       1.768700      -1.243600    
 H    2.730900      0.1526000      -1.974500    
 H    4.260600       2.438600      0.5052000    
 H    4.428400      -1.486400      -1.270700    
 H    6.512400       2.094700       1.460700    
 H    6.679700      -1.817200     -0.3091000    
 H    7.726200     -3.0700000E-02   1.057400    
 H   -1.970800       4.387800      -1.766600    


%chk=000098101-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000098101

0 1
O 1.267764 0.905221 0.988801
O -4.179251 0.858333 0.547524
O 0.109360 1.306263 -1.028312
O -1.877550 3.979850 0.769453
O -3.235550 5.529376 -0.304387
N -0.826554 0.058367 0.716038
N -2.646934 1.927261 -0.852953
C -2.057076 -0.313480 -0.013644
C -2.722918 -1.545947 0.643047
C -1.795823 -2.747885 0.754860
C -3.068500 0.874788 -0.065179
C -1.332278 -3.423108 -0.404718
C -1.373578 -3.219018 2.023961
C 0.172812 0.789278 0.132931
C -0.465839 -4.532272 -0.298895
C -0.504958 -4.329714 2.135661
C -3.420998 3.156999 -0.932835
C -0.046208 -4.988780 0.973303
C 2.446967 1.668856 0.443996
C 3.423491 0.758867 -0.267458
C 4.501279 0.169908 0.441225
C 3.275235 0.487850 -1.652703
C -2.859584 4.347086 -0.154864
C 5.416227 -0.679661 -0.219560
C 4.189718 -0.360822 -2.314321
C 5.262050 -0.945794 -1.600176
H -1.759416 -0.547804 -1.054713
H -3.614850 -1.790473 0.038327
H -3.108778 -1.248895 1.634887
H -0.664153 -0.326366 1.648483
H -1.656377 -3.082368 -1.396496
H -1.740144 -2.723046 2.932251
H -1.679549 1.891430 -1.220689
H -0.119103 -5.042341 -1.204705
H -0.191331 -4.680004 3.125516
H -3.550855 3.489259 -1.978324
H -4.427868 2.943075 -0.523867
H 0.626300 -5.849786 1.055754
H 2.885411 2.113814 1.350954
H 2.055510 2.454136 -0.224937
H 4.621170 0.375578 1.512191
H 2.434895 0.934319 -2.195952
H 6.246374 -1.129162 0.336597
H 4.069143 -0.564379 -3.384201
H 5.972634 -1.602016 -2.115401
H -1.578720 4.792006 1.262427


