%chk=000054166.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054166

0 1
 O   -1.859100      -2.068200     -0.7735000    
 O   0.9243000      -1.873600     -0.9841000    
 O    2.792700      -3.054700     -0.3412000    
 N   -3.127600      0.2217000      0.3085000    
 N    4.477000       3.092400      0.5537000    
 C   -3.399000       1.300900     -0.6427000    
 C   -3.469200      0.6346000       1.664600    
 C   -3.869900     -0.9834000     -6.5700002E-02
 C   -2.266100       2.325700     -0.6198000    
 C   -2.753100     -0.2490000       2.684600    
 C   -2.519400       3.451800      -1.622700    
 C   -1.235600     -0.1731000       2.512600    
 C   -3.168800      -1.715500      -1.198900    
 C   -1.413700       4.494600      -1.581000    
 C  -0.5142000      -1.022300       3.547100    
 C   -1.148200      -2.758500      -1.792100    
 C   0.2446000      -3.085400      -1.289000    
 C    2.196500      -2.003600     -0.5172000    
 C    2.792000     -0.6727000     -0.2368000    
 C    4.094900     -0.5806000      0.2527000    
 C    2.048600      0.4856000     -0.4634000    
 C    3.910900       1.827900      0.2891000    
 C    4.654500      0.6697000      0.5157000    
 C    2.608000       1.735900     -0.2004000    
 H   -4.364100       1.781700     -0.4336000    
 H   -3.465600      0.9253000      -1.669700    
 H   -4.553600      0.6001000       1.833900    
 H   -3.166600       1.667900       1.868000    
 H   -4.905900     -0.7495000     -0.3425000    
 H   -3.924800      -1.690000      0.7690000    
 H   -1.316900       1.831100     -0.8631000    
 H   -2.147400       2.767400      0.3753000    
 H   -3.086100      -1.290700       2.635000    
 H   -3.017400      0.1034000       3.689900    
 H   -2.588000       3.040200      -2.636300    
 H   -3.477400       3.937500      -1.403400    
 H  -0.9001000      0.8666000       2.606200    
 H  -0.9353000     -0.5216000       1.518400    
 H   -3.728400      -2.629900      -1.430800    
 H   -3.118000      -1.115600      -2.113300    
 H   -1.343700       4.953400     -0.5896000    
 H   -1.612700       5.287500      -2.308800    
 H  -0.4438000       4.047400      -1.821900    
 H  -0.7987000      -2.075500       3.456900    
 H   0.5691000     -0.9503000       3.407100    
 H  -0.7486000     -0.6876000       4.562500    
 H   -1.078100      -2.114300      -2.676400    
 H   -1.676700      -3.681300      -2.055400    
 H   0.7978000      -3.638100      -2.056400    
 H   0.1755000      -3.689600     -0.3768000    
 H    4.690500      -1.471000      0.4358000    
 H    1.030900      0.4602000     -0.8423000    
 H    5.670800      0.7285000      0.8967000    
 H    2.018300       2.631300     -0.3806000    
 H    3.937500       3.932300      0.3917000    
 H    5.420800       3.159900      0.9106000    


%chk=000054166-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054166

0 1
O -1.879017 -2.324920 -0.480741
O 1.105152 -2.247411 0.088274
O 2.407433 -2.513614 -1.836308
N -3.349491 0.325806 0.067622
N 5.119553 2.669070 1.027635
C -3.605527 1.409864 -0.911501
C -3.690457 0.685685 1.466519
C -3.895830 -0.979930 -0.365197
C -2.560442 2.545748 -0.869156
C -2.934194 -0.152895 2.522252
C -2.835989 3.638071 -1.927568
C -1.398871 -0.010399 2.443190
C -2.951167 -1.748051 -1.298575
C -1.806008 4.787618 -1.880970
C -0.677715 -0.853648 3.516607
C -0.845353 -2.976106 -1.286011
C 0.285319 -3.401902 -0.354521
C 2.154640 -1.878424 -0.776060
C 2.894358 -0.699419 -0.280078
C 4.043376 -0.267121 -0.997569
C 2.499342 0.021071 0.880574
C 4.390058 1.566021 0.597420
C 4.783822 0.843768 -0.571094
C 3.231749 1.135593 1.314437
H -4.632718 1.845862 -0.785931
H -3.582941 0.963206 -1.925398
H -4.794133 0.607461 1.652868
H -3.424633 1.749376 1.612851
H -4.885920 -0.867192 -0.874890
H -4.066265 -1.617384 0.520462
H -1.557411 2.103565 -1.025889
H -2.542972 3.013727 0.135564
H -3.196959 -1.224998 2.416757
H -3.293716 0.157518 3.526458
H -2.831907 3.179205 -2.937764
H -3.856015 4.048328 -1.776788
H -1.125760 1.059920 2.559356
H -1.074815 -0.318694 1.432663
H -3.506502 -2.562636 -1.820256
H -2.522174 -1.070724 -2.069839
H -1.814825 5.286405 -0.893229
H -2.017650 5.554407 -2.649000
H -0.781730 4.407392 -2.054074
H -0.900339 -1.929064 3.381958
H 0.420825 -0.734662 3.460657
H -0.996087 -0.567623 4.538266
H -0.459497 -2.291987 -2.070864
H -1.260046 -3.880438 -1.789643
H 0.939119 -4.130979 -0.865068
H -0.126301 -3.821624 0.576860
H 4.338332 -0.824873 -1.892845
H 1.610222 -0.303667 1.427886
H 5.670040 1.163750 -1.132562
H 2.914052 1.684565 2.209249
H 4.843685 3.184861 1.858418
H 5.943701 2.979419 0.520788


