%chk=000153587.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000153587

0 1
 O   -4.101000      -3.365800      0.2742000    
 N   -2.875300       1.950600     -0.2452000    
 N    3.046800     -0.1505000      0.4452000    
 N    3.516400       2.143400      0.2175000    
 N    3.076900      -5.237700     -0.9807000    
 C   -1.108400      0.6233000      4.1800000E-02
 C   -1.504000       1.946200     -0.1404000    
 C  -0.5952000       3.010600     -0.1937000    
 C   -2.292100     -0.1812000      4.4300001E-02
 C    1.202500       1.395600      0.1284000    
 C   0.7742000       2.724900     -5.6899998E-02
 C   -3.377800      0.6756000     -0.1368000    
 C   0.2673000      0.3436000      0.1784000    
 C    2.574800       1.173900      0.2578000    
 C   -2.539600      -1.563100      0.1844000    
 C   -1.087600       4.410300     -0.3932000    
 C    4.394200     -0.5316000      0.1765000    
 C    1.733100       3.743100     -0.1014000    
 C   -4.700900      0.2218000     -0.1852000    
 C    4.608900      -2.016900      0.4600000    
 C   -3.857300      -2.032100      0.1381000    
 C    3.708100      -2.914500     -0.3982000    
 C   -4.920400      -1.151000     -4.4000000E-02
 C    3.070100       3.403700      3.9000001E-02
 C    3.956600      -4.406700     -0.1677000    
 C   -2.970600      -4.215600      0.4578000    
 H   0.5654000     -0.6921000      0.3101000    
 H   -3.446500       2.772200     -0.3832000    
 H   -1.675400      -2.201400      0.3236000    
 H  -0.8042000       5.039500      0.4575000    
 H  -0.6702000       4.834400      -1.312900    
 H   -2.175300       4.473500     -0.4829000    
 H    5.086000      4.2199999E-02  0.8047000    
 H    4.646700     -0.3214000     -0.8698000    
 H    1.478700       4.788400     -0.2409000    
 H   -5.529300      0.9077000     -0.3270000    
 H    2.505300     -0.7265000       1.081100    
 H    4.417500      -2.222700       1.520500    
 H    5.659600      -2.265800      0.2694000    
 H    2.654000      -2.697000     -0.1863000    
 H    3.873400      -2.679200      -1.457600    
 H   -5.939400      -1.529400     -7.7699997E-02
 H    3.841400       4.166400      9.7000003E-03
 H    4.998800      -4.649700     -0.4033000    
 H    3.793600      -4.648900      0.8880000    
 H    3.315200      -6.218900     -0.8425000    
 H    3.235500      -5.040700      -1.967900    
 H   -3.347900      -5.239600      0.5474000    
 H   -2.442300      -3.988400       1.390100    
 H   -2.305800      -4.196400     -0.4126000    


%chk=000153587-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000153587

0 1
O -4.427157 -3.304387 0.224533
N -3.014831 2.111096 -0.064092
N 3.029359 -0.204454 0.028396
N 3.509444 2.074043 -0.054247
N 3.740180 -5.505586 -0.803954
C -1.214068 0.672430 0.017332
C -1.609936 2.065691 -0.057533
C -0.684757 3.118762 -0.104846
C -2.438846 -0.121015 0.058209
C 1.125713 1.373209 -0.020040
C 0.709886 2.767488 -0.084612
C -3.532818 0.802133 0.004787
C 0.145808 0.341604 0.038106
C 2.566468 1.098537 -0.018582
C -2.686452 -1.513795 0.132491
C -1.123824 4.569683 -0.172267
C 4.460822 -0.542402 0.011558
C 1.741449 3.771388 -0.120086
C -4.872284 0.359710 0.023602
C 4.700101 -1.987813 0.492679
C -4.029599 -1.953742 0.151905
C 4.051447 -3.073719 -0.398304
C -5.109905 -1.025525 0.097610
C 3.078114 3.382539 -0.094208
C 4.425386 -4.504714 0.040157
C -3.367961 -4.309882 0.291096
H 0.431617 -0.714079 0.108904
H -3.575826 2.957043 -0.112136
H -1.853109 -2.221266 0.173328
H -0.742709 5.147470 0.690864
H -0.745217 5.064587 -1.086565
H -2.222399 4.676474 -0.175174
H 4.986311 0.183015 0.656272
H 4.876675 -0.405976 -1.010298
H 1.487650 4.833181 -0.165859
H -5.712151 1.061273 -0.017464
H 2.366369 -0.970605 -0.065293
H 4.335371 -2.092553 1.534541
H 5.795619 -2.154188 0.521055
H 2.944708 -3.009075 -0.383904
H 4.363777 -2.915803 -1.452431
H -6.128814 -1.423683 0.115479
H 3.879350 4.130426 -0.114040
H 5.540385 -4.595347 0.040564
H 4.094718 -4.657015 1.086062
H 3.803988 -6.467428 -0.456097
H 3.991117 -5.445543 -1.796686
H -3.889413 -5.276882 0.347202
H -2.737651 -4.174332 1.192534
H -2.727604 -4.284876 -0.613047


