%chk=000059107.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059107

0 1
 O    3.041600      -2.899100     -0.4964000    
 N    2.786700      0.6271000     -0.1816000    
 N  -0.3872000      -1.966200      0.8355000    
 N    4.293200     -0.9633000     -0.8457000    
 N   -7.736700       2.453900     -0.5176000    
 C    2.099700     -0.6790000     -8.0000004E-03
 C    1.791900     -0.9727000       1.471900    
 C   0.8911000     -0.8205000     -0.9517000    
 C   0.8098000      -2.131600       1.668600    
 C  -2.8400000E-02  -1.990200     -0.5875000    
 C    3.172900      -1.682800     -0.4703000    
 C    4.140100      0.4548000     -0.6985000    
 C   -1.359700      -3.019400       1.130600    
 C    2.300300       1.900800      8.0899999E-02
 C   -2.652000      -2.846100      0.3300000    
 C    5.527700      -1.534200      -1.342800    
 C   -3.399200      -1.527600      0.5640000    
 C    3.086900       3.065600     -0.1391000    
 C   0.9875000       2.114200      0.5857000    
 C   -4.653100      -1.378000     -0.3005000    
 C    2.598300       4.345000      0.1254000    
 C   0.4991000       3.393700      0.8501000    
 C   -5.309700     -1.1100000E-02 -9.2799999E-02
 C    1.304600       4.509100      0.6199000    
 C   -6.580200      0.1292000     -0.9307000    
 C   -7.225300       1.428300     -0.6993000    
 H    2.719200      -1.204000       2.013600    
 H    1.380100     -9.7700000E-02   1.982000    
 H   0.2835000      8.8600002E-02 -0.9698000    
 H    1.232800     -0.9523000      -1.987600    
 H    1.305500      -3.088100       1.460800    
 H   0.5264000      -2.150000       2.728600    
 H  -0.9020000      -1.871500      -1.234500    
 H   0.4410000      -2.943500     -0.8608000    
 H    4.265600      0.9199000      -1.682300    
 H    4.897300      0.8127000      7.4000000E-03
 H  -0.9415000      -4.013900      0.9273000    
 H   -1.616200      -2.991400       2.197300    
 H   -3.325900      -3.660300      0.6315000    
 H   -2.493600      -3.011200     -0.7409000    
 H    5.719100      -1.142300      -2.345300    
 H    5.455600      -2.623900      -1.385400    
 H    6.343100      -1.249100     -0.6727000    
 H   -2.729000     -0.6862000      0.3512000    
 H   -3.673900      -1.452500       1.623400    
 H    4.101500       2.993600     -0.5233000    
 H   0.3091000       1.291800      0.7855000    
 H   -5.363900      -2.175300     -5.2200001E-02
 H   -4.386900      -1.498100      -1.357500    
 H    3.224800       5.214000     -5.3500000E-02
 H  -0.5084000       3.522500       1.234800    
 H   -5.550500      0.1218000      0.9700000    
 H   -4.600800      0.7840000     -0.3572000    
 H   0.9242000       5.505300      0.8257000    
 H   -6.337500      2.4599999E-02  -1.994500    
 H   -7.282200     -0.6746000     -0.6800000    


%chk=000059107-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000059107

0 1
O 3.225227 -2.939296 -0.352282
N 2.850561 0.638189 -0.173171
N -0.388459 -2.076123 0.582044
N 4.453841 -0.952502 -0.612872
N -7.963077 2.515265 0.099916
C 2.161103 -0.679668 -0.028791
C 1.652750 -0.925383 1.428555
C 1.021377 -0.869633 -1.081041
C 0.742090 -2.162496 1.547666
C 0.145934 -2.109196 -0.806659
C 3.306651 -1.676957 -0.340679
C 4.270533 0.494958 -0.532874
C -1.398793 -3.138367 0.831297
C 2.303594 1.920457 -0.003925
C -2.745704 -2.893678 0.115679
C 5.737475 -1.559959 -0.950676
C -3.427158 -1.569402 0.524811
C 3.135825 3.071222 -0.185931
C 0.934244 2.147948 0.345975
C -4.752799 -1.320236 -0.226667
C 2.622988 4.374356 -0.026021
C 0.439358 3.457396 0.501765
C -5.431560 0.004711 0.185964
C 1.270187 4.586923 0.319573
C -6.760067 0.236751 -0.588151
C -7.432723 1.493259 -0.215023
H 2.524927 -1.037649 2.100467
H 1.091657 -0.039600 1.768558
H 0.378887 0.026183 -1.080458
H 1.471086 -0.947850 -2.089229
H 1.340073 -3.091046 1.387585
H 0.324665 -2.198305 2.571768
H -0.698652 -2.103218 -1.518878
H 0.736488 -3.039750 -0.984095
H 4.505852 0.979887 -1.508294
H 4.943651 0.939722 0.235933
H -1.007004 -4.147855 0.542490
H -1.581629 -3.167212 1.923820
H -3.414224 -3.747395 0.350722
H -2.604300 -2.912208 -0.984003
H 6.079572 -1.242702 -1.954177
H 5.597174 -2.653353 -0.947577
H 6.514549 -1.293922 -0.209049
H -2.720604 -0.736665 0.343858
H -3.618562 -1.580755 1.618249
H 4.190753 2.958135 -0.454310
H 0.247031 1.313350 0.499676
H -5.448971 -2.165310 -0.040859
H -4.557158 -1.310222 -1.319672
H 3.292713 5.229630 -0.174320
H -0.614730 3.592175 0.771329
H -5.639953 -0.000869 1.272894
H -4.746721 0.853143 -0.003413
H 0.874846 5.599996 0.443619
H -6.562443 0.252336 -1.677731
H -7.455973 -0.604409 -0.401685


