%chk=000039342.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039342

0 1
 O   -2.906700     -0.7586000      -1.592500    
 N   -4.544900      0.5748000      0.3671000    
 C    2.759100       2.082900     -0.1053000    
 C    1.949900       1.318300      -1.152300    
 C    4.064800       1.395800      0.2905000    
 C    3.894000      6.0800001E-02   1.013100    
 C    1.149200      0.1809000     -0.5676000    
 C    3.270500      -1.035200      0.1493000    
 C    1.769600     -0.9244000      4.3800000E-02
 C  -0.2536000      0.2239000     -0.6446000    
 C   -1.032200     -0.8082000     -0.1226000    
 C   0.9711000      -1.958400      0.5627000    
 C   -2.519400     -0.7402000     -0.2121000    
 C  -0.4196000      -1.899700      0.4813000    
 C   -3.087500      0.5251000      0.4606000    
 C   -5.064300       1.762100       1.028600    
 H    3.020700       3.061300     -0.5282000    
 H    2.152300       2.279800      0.7872000    
 H    2.596500      0.9385000      -1.952900    
 H    1.267900       2.029700      -1.635400    
 H    4.619900       2.073000      0.9517000    
 H    4.690600       1.254700     -0.5996000    
 H    3.317600      0.2037000       1.935600    
 H    4.893300     -0.2756000       1.317200    
 H    3.529900      -2.003800      0.5958000    
 H    3.709700      -1.045400     -0.8557000    
 H  -0.7308000       1.071500      -1.131500    
 H    1.430200      -2.821900       1.038400    
 H   -2.967400      -1.627600      0.2525000    
 H   -1.008200      -2.714800      0.8936000    
 H   -2.690700       1.421400     -3.0999999E-02
 H   -2.771900      0.5499000       1.511400    
 H   -4.942200     -0.2568000      0.8031000    
 H   -3.876200     -0.6874000      -1.621600    
 H   -4.814300       1.771600       2.094600    
 H   -6.155000       1.780300      0.9400000    
 H   -4.682500       2.676400      0.5627000    


%chk=000039342-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000039342

0 1
O -2.886635 0.160056 -1.616600
N -4.614097 0.461548 0.430339
C 2.927903 2.069626 -0.437595
C 2.122529 1.141614 -1.392881
C 4.189564 1.418436 0.176921
C 3.931858 0.197407 1.091537
C 1.229473 0.126398 -0.691420
C 3.278231 -1.019187 0.374836
C 1.777688 -0.893887 0.143808
C -0.173105 0.193098 -0.872555
C -1.050687 -0.723299 -0.248636
C 0.893664 -1.813593 0.760252
C -2.557036 -0.601919 -0.415086
C -0.503354 -1.738708 0.569774
C -3.213431 0.131804 0.795991
C -5.235197 1.568369 1.189962
H 3.246741 2.964176 -1.009697
H 2.258962 2.430851 0.368905
H 2.845456 0.620430 -2.056486
H 1.492236 1.768292 -2.051041
H 4.741684 2.186557 0.755723
H 4.864353 1.106432 -0.648478
H 3.298041 0.496290 1.950229
H 4.904454 -0.128122 1.512914
H 3.466703 -1.929033 0.976012
H 3.801060 -1.171996 -0.593627
H -0.609799 0.951981 -1.530339
H 1.310494 -2.607738 1.392461
H -2.998234 -1.624469 -0.484621
H -1.160259 -2.478087 1.046225
H -2.676270 1.084440 0.960060
H -3.115197 -0.477922 1.721407
H -5.209974 -0.378310 0.420696
H -3.784831 0.560593 -1.392341
H -5.278999 1.394997 2.289483
H -6.263834 1.735635 0.825041
H -4.660757 2.495642 1.016727


