%chk=000051630.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051630

0 1
 O   -4.446800     -0.1593000       1.964200    
 N    2.440900       1.568000     -0.3348000    
 N  -0.3024000      0.8131000      0.2399000    
 N    6.144500       1.216600      1.9099999E-02
 N   -4.012000      0.9280000     -3.8300000E-02
 C    2.123300      0.2637000      0.3068000    
 C   0.7043000     -0.2088000     -7.0400000E-02
 C    3.144900     -0.8401000     -0.1033000    
 C    1.399100       2.565400     -5.4800000E-02
 C    3.763800       2.095100      8.2599998E-02
 C    4.539400     -0.3234000     -5.8100000E-02
 C   1.3600000E-02   2.061200     -0.4619000    
 C    4.793700       1.027100      3.8999999E-03
 C    5.791600     -0.9942000     -9.1600001E-02
 C   -1.641300      0.3450000     -0.1146000    
 C    6.781900     -5.7000001E-03 -4.1099999E-02
 C   -2.686000       1.373600      0.2930000    
 C    6.186300      -2.345200     -0.1623000    
 C    8.148400     -0.3077000     -5.4600000E-02
 C    7.549900      -2.659500     -0.1772000    
 C    8.514000      -1.655100     -0.1237000    
 C   -4.795500      0.1866000      0.8384000    
 C   -6.133200     -0.2197000      0.3361000    
 C   -6.718300      -1.359900      0.8462000    
 C   -6.747900      0.5565000     -0.6245000    
 C   -7.974400      -1.741200      0.3746000    
 C   -8.004100      0.1754000      -1.096100    
 C   -8.617400     -0.9735000     -0.5964000    
 C   -9.960300      -1.381700      -1.101200    
 H    2.169600      0.3903000       1.399300    
 H   0.6665000     -0.4702000      -1.137200    
 H   0.4823000      -1.122900      0.4949000    
 H    2.940500      -1.185600      -1.124900    
 H    3.039400      -1.702800      0.5650000    
 H    1.611600       3.483400     -0.6163000    
 H    1.391500       2.830300       1.011400    
 H    3.726700       2.468300       1.114200    
 H    4.044300       2.928500     -0.5719000    
 H  -0.6726000       2.868900     -0.1935000    
 H  -3.4499999E-02   1.930300      -1.551200    
 H   -1.720700      0.1334000      -1.189600    
 H   -1.852500     -0.5968000      0.4081000    
 H    6.611500       2.111700      6.9200002E-02
 H   -2.633300       1.579200       1.368400    
 H   -2.582900       2.319600     -0.2434000    
 H    5.446200      -3.139300     -0.2044000    
 H    8.900700      0.4729000     -1.4000000E-02
 H    7.859000      -3.700000     -0.2311000    
 H    9.567700      -1.922100     -0.1364000    
 H   -4.328500       1.113700     -0.9838000    
 H   -6.228800      -1.971500       1.598300    
 H   -6.320900       1.474900      -1.013500    
 H   -8.440700      -2.640200      0.7693000    
 H   -8.497800      0.7846000      -1.848700    
 H   -9.851200      -2.042200      -1.967100    
 H   -10.53000      -1.908200     -0.3278000    
 H   -10.55300     -0.5095000      -1.397300    


%chk=000051630-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000051630

0 1
O -3.978671 -0.849101 1.380897
N 2.553502 1.660121 -0.494774
N -0.269566 1.038025 -0.184834
N 6.245032 1.180440 0.230662
N -4.073282 1.040819 0.036360
C 2.124808 0.350945 0.096571
C 0.728385 -0.024643 -0.441604
C 3.129066 -0.779599 -0.253816
C 1.529536 2.716026 -0.292289
C 3.864225 2.146926 0.018269
C 4.547425 -0.322796 -0.046129
C 0.164427 2.290022 -0.845774
C 4.859132 1.026241 0.056142
C 5.791707 -1.060345 0.058372
C -1.655269 0.638107 -0.508649
C 6.844521 -0.088183 0.235565
C -2.685526 1.426994 0.340009
C 6.131443 -2.438305 0.023623
C 8.198650 -0.458028 0.373735
C 7.483030 -2.813687 0.161896
C 8.505719 -1.835104 0.334659
C -4.643073 -0.091780 0.601192
C -6.077022 -0.382239 0.240151
C -6.553820 -1.698516 0.464135
C -6.976018 0.586950 -0.276547
C -7.884227 -2.042829 0.156856
C -8.309513 0.237671 -0.578830
C -8.785274 -1.084061 -0.377840
C -10.210688 -1.464630 -0.735220
H 2.053408 0.441071 1.210803
H 0.825996 -0.238782 -1.537357
H 0.397793 -0.952056 0.060871
H 2.973305 -1.086588 -1.308737
H 2.897830 -1.662313 0.375166
H 1.871233 3.633041 -0.810780
H 1.406475 2.959039 0.794380
H 3.756732 2.589673 1.046607
H 4.206995 2.968132 -0.645025
H -0.569731 3.091716 -0.644779
H 0.239788 2.160740 -1.955963
H -1.889915 0.762242 -1.596664
H -1.781653 -0.431151 -0.263342
H 6.736252 2.066071 0.328591
H -2.487069 1.211917 1.403097
H -2.581938 2.515344 0.177923
H 5.354972 -3.200317 -0.109977
H 8.989201 0.289576 0.506607
H 7.757987 -3.874226 0.136890
H 9.547613 -2.158311 0.439017
H -4.584575 1.556732 -0.679496
H -5.859687 -2.429033 0.892554
H -6.663980 1.630681 -0.407561
H -8.233867 -3.066720 0.336302
H -8.994406 1.002391 -0.964852
H -10.269723 -1.843670 -1.774281
H -10.594453 -2.261846 -0.074671
H -10.893142 -0.599794 -0.662212


