%chk=000130272.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000130272

0 1
 O   -2.831400       2.508500     -0.7526000    
 N    2.662900       1.615900      0.1795000    
 N   -1.553000      0.6054000     -0.3161000    
 N    5.134700      0.1849000      0.1401000    
 N   -5.242900      0.9190000     -0.2110000    
 C    1.639000       2.496500      0.7407000    
 C    2.853200      0.4374000       1.033800    
 C    3.934400       2.334500      2.9800000E-02
 C   0.2816000       1.796700      0.8534000    
 C  -0.2801000       1.291500     -0.4741000    
 C   -1.511300     -0.7513000      0.2657000    
 C   -3.940200     -0.8761000     -0.1320000    
 C   -2.672400      -1.645600     -0.1881000    
 C    3.882500     -0.5206000      0.4287000    
 C    4.998800       1.440000     -0.6097000    
 C   -3.942200      0.4967000     -0.2722000    
 C   -2.764400       1.314500     -0.4675000    
 C   -5.284900      -1.305100      3.2299999E-02
 C   -6.082000     -0.1575000     -1.8400000E-02
 C    6.323100     -0.5403000     -1.9000000E-03
 C   -5.908700      -2.555500      0.2148000    
 C   -5.692700       2.289900     -0.3420000    
 C   -7.475000     -0.2009000      0.1095000    
 C   -7.301000      -2.612700      0.3441000    
 C   -8.070200      -1.452200      0.2928000    
 C    6.312500      -1.862000     -0.4912000    
 C    7.566400      2.8700000E-02  0.3392000    
 C    7.496800      -2.584800     -0.6339000    
 C    8.750700     -0.6942000      0.1965000    
 C    8.716000      -2.001000     -0.2901000    
 H    1.934000       2.868300       1.730700    
 H    1.516500       3.373900      9.3099996E-02
 H    1.934700     -0.1472000       1.138100    
 H    3.173600      0.7341000       2.041600    
 H    4.294300       2.694100       1.003300    
 H    3.795800       3.213000     -0.6121000    
 H   0.3023000      0.9986000       1.602900    
 H  -0.4295000       2.528300       1.262300    
 H  -0.4147000       2.140800      -1.154100    
 H   0.4107000      0.5975000     -0.9652000    
 H   -1.543400     -0.6259000       1.355100    
 H  -0.5610000      -1.230300      5.5000000E-03
 H   -2.720000      -2.542300      0.4385000    
 H   -2.504100      -1.969100      -1.222500    
 H    4.053100      -1.334100       1.144800    
 H    3.480800     -0.9594000     -0.4939000    
 H    4.726200       1.211600      -1.648300    
 H    5.941300       1.998700     -0.6385000    
 H   -5.322500      -3.469100      0.2565000    
 H   -5.156600       2.900400      0.3894000    
 H   -5.478000       2.623400      -1.360600    
 H   -6.762100       2.376500     -0.1495000    
 H   -8.092800      0.6889000      6.8599999E-02
 H   -7.786600      -3.574600      0.4860000    
 H    5.383200      -2.345900     -0.7816000    
 H    7.617300       1.041600      0.7325000    
 H   -9.150300      -1.520000      0.3950000    
 H    7.470400      -3.601400      -1.015500    
 H    9.699900     -0.2408000      0.4668000    
 H    9.638200      -2.563900     -0.4012000    


%chk=000130272-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000130272

0 1
O -2.747548 2.575602 -0.422045
N 2.662749 1.470887 0.403664
N -1.607577 0.537442 -0.245016
N 5.258346 0.185726 0.178144
N -5.325910 1.011581 -0.076661
C 1.606152 2.382642 0.918264
C 3.128057 0.495286 1.418057
C 3.832932 2.205266 -0.136721
C 0.228166 1.700313 1.046599
C -0.309217 1.237883 -0.329218
C -1.619008 -0.886980 0.181134
C -4.054895 -0.895712 -0.279165
C -2.780583 -1.679451 -0.458788
C 4.123641 -0.510640 0.812231
C 4.824692 1.225815 -0.783860
C -4.016211 0.503780 -0.184653
C -2.776550 1.301849 -0.278456
C -5.437553 -1.289934 -0.231511
C -6.207651 -0.073390 -0.093961
C 6.476310 -0.510929 -0.032947
C -6.115790 -2.538510 -0.282192
C -5.731797 2.417331 0.065444
C -7.618637 -0.088077 0.001284
C -7.519248 -2.552965 -0.191728
C -8.261720 -1.339867 -0.050640
C 6.617196 -1.893640 0.299610
C 7.626313 0.162306 -0.551032
C 7.852203 -2.557274 0.137231
C 8.849957 -0.514104 -0.718229
C 8.981505 -1.880605 -0.373547
H 1.895816 2.826248 1.904617
H 1.516052 3.224536 0.204063
H 2.262063 -0.064350 1.814438
H 3.621179 1.017758 2.278156
H 4.361014 2.784359 0.663523
H 3.481385 2.919394 -0.904129
H 0.286105 0.840296 1.742288
H -0.485572 2.422771 1.484994
H -0.452312 2.123338 -0.973121
H 0.429147 0.570328 -0.808351
H -1.707680 -0.947756 1.287653
H -0.646954 -1.327531 -0.104379
H -2.842771 -2.674642 0.019949
H -2.576071 -1.849158 -1.536024
H 4.501150 -1.148389 1.630164
H 3.586916 -1.161731 0.082272
H 4.332144 0.751426 -1.663727
H 5.696724 1.789130 -1.149174
H -5.555820 -3.474412 -0.390357
H -4.838755 3.047867 -0.056708
H -6.470416 2.679596 -0.713740
H -6.182882 2.594810 1.059701
H -8.195779 0.836029 0.110260
H -8.058216 -3.506139 -0.229040
H 5.760416 -2.466869 0.664894
H 7.577605 1.227470 -0.798154
H -9.354419 -1.386908 0.017899
H 7.923554 -3.619079 0.401665
H 9.712733 0.036830 -1.110986
H 9.936221 -2.400855 -0.502140


