%chk=000029903.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029903

0 1
 O   0.4613000      -1.746200      0.2273000    
 N   -3.570100      -1.443500     -0.5855000    
 N  -0.4489000      0.3118000     -0.5120000    
 N    1.879700      2.4400000E-02 -0.2742000    
 C   -1.683300     -0.1658000      -1.072100    
 C   -1.540400      -1.529600      -1.752100    
 C   -2.760200     -0.3687000     -1.1100000E-02
 C   -2.600200      -2.410400      -1.100700    
 C   -4.478900      -2.033600      0.3864000    
 C  -0.3121000       1.743700     -0.2238000    
 C   0.6248000     -0.5843000     -0.1485000    
 C   -5.463300      -1.029500      0.9018000    
 C   0.4365000       2.096100      0.8561000    
 C  -0.9431000       2.612700      -1.058700    
 C   0.5673000       3.457700       1.129300    
 C  -0.8122000       3.974300     -0.7856000    
 C   -5.586500     -0.6970000       2.192000    
 C    3.147700     -0.5463000     -7.0000002E-03
 C  -5.7000000E-02   4.396800      0.3084000    
 C    4.286900      0.2187000     -0.1919000    
 C    3.220200      -1.856600      0.4341000    
 C    5.535900     -0.3434000      7.2300002E-02
 C    4.469200      -2.418800      0.6984000    
 C    5.627000      -1.662200      0.5175000    
 H   -2.059900      0.5020000      -1.850400    
 H  -0.5601000      -2.005300      -1.784900    
 H   -1.812400      -1.400900      -2.810400    
 H   -2.317200     -0.6634000      0.9501000    
 H   -3.329200      0.5549000      0.1409000    
 H   -3.051400      -3.099800      -1.821400    
 H   -2.143300      -2.996700     -0.2933000    
 H   -3.927000      -2.494900       1.216300    
 H   -5.050100      -2.836900     -9.5700003E-02
 H   -6.122000     -0.5541000      0.1788000    
 H   0.8804000       1.393800       1.552900    
 H   -1.501300       2.343600      -1.944700    
 H    1.922100      0.9511000     -0.6882000    
 H    1.143200       3.786500       1.989500    
 H   -1.290000       4.706700      -1.430000    
 H   -6.324000      3.5100002E-02   2.502300    
 H   -4.959000      -1.143100       2.955400    
 H   4.3900002E-02   5.456900      0.5217000    
 H    4.226700       1.247000     -0.5371000    
 H    2.382800      -2.515300      0.6021000    
 H    6.437300      0.2457000     -6.8200000E-02
 H    4.542000      -3.445700       1.045100    
 H    6.599400      -2.099800      0.7233000    


%chk=000029903-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000029903

0 1
O 0.186646 -1.631972 -0.141739
N -3.575264 -1.427482 -0.374639
N -0.478825 0.581183 -0.536109
N 1.803305 0.082068 -0.132685
C -1.863663 0.140706 -0.889234
C -1.968538 -0.904818 -2.054236
C -2.634750 -0.500817 0.303534
C -2.779382 -2.077133 -1.455485
C -4.272903 -2.370266 0.524979
C -0.204037 1.996749 -0.504961
C 0.493433 -0.403010 -0.244520
C -5.267629 -1.664413 1.424578
C 0.271187 2.616676 0.682504
C -0.443541 2.793190 -1.655967
C 0.519186 4.006887 0.707220
C -0.211670 4.185231 -1.618475
C -5.362710 -1.838768 2.766093
C 2.978667 -0.642691 0.206656
C 0.276463 4.797618 -0.440337
C 4.192814 0.097178 0.272286
C 2.995901 -2.037913 0.478403
C 5.402621 -0.543305 0.606067
C 4.216682 -2.662505 0.813790
C 5.424309 -1.930772 0.881304
H -2.388826 1.063174 -1.184459
H -0.975130 -1.235845 -2.394356
H -2.501906 -0.453190 -2.909205
H -1.919696 -1.038861 0.966824
H -3.182838 0.245864 0.904187
H -3.453434 -2.558290 -2.187280
H -2.078427 -2.843762 -1.051214
H -3.557746 -2.967712 1.145944
H -4.821524 -3.088228 -0.119650
H -5.952511 -0.977715 0.905092
H 0.424163 2.009392 1.581434
H -0.798218 2.314672 -2.575595
H 1.939672 1.080573 -0.308772
H 0.882904 4.473669 1.629230
H -0.400602 4.789223 -2.512773
H -6.123701 -1.320494 3.360447
H -4.682153 -2.508017 3.307808
H 0.460485 5.876892 -0.415449
H 4.186058 1.174763 0.061051
H 2.065235 -2.603954 0.418288
H 6.327706 0.042376 0.651094
H 4.219430 -3.738644 1.022077
H 6.363955 -2.429807 1.140748


