%chk=000016039.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000016039

0 1
 O   -2.989900       3.378600     -0.7056000    
 N   8.9800000E-02 -0.5985000      0.3568000    
 N    7.787700      0.2386000     -0.8351000    
 C   -2.115200      -1.381100      0.2187000    
 C   -1.524500      -1.872100       1.563100    
 C  -0.8183000      -1.226100     -0.6045000    
 C  -9.6199997E-02  -1.319200       1.617000    
 C   -3.006000      -2.452300     -0.4356000    
 C   -2.944900     -9.9600002E-02  0.4210000    
 C    1.472800     -0.5931000     -9.2399999E-02
 C   -3.495200      -1.996100      -1.803700    
 C   -2.586600       1.072100     -0.2426000    
 C    2.374200      0.1166000      0.9185000    
 C   -4.051500     -0.1153000       1.267700    
 C   -4.395200      -3.043700      -2.439100    
 C   -3.338100       2.232700     -5.9099998E-02
 C   -4.803000       1.045200       1.451400    
 C    3.808500      0.1490000      0.4539000    
 C   -4.446300       2.219400      0.7879000    
 C    4.659900     -0.8887000      0.8013000    
 C    4.252000       1.216000     -0.3126000    
 C    5.986900     -0.8588000      0.3718000    
 C    5.578900       1.245800     -0.7422000    
 C    6.446200      0.2085000     -0.4000000    
 C   -1.846000       3.322300      -1.556600    
 H   -2.095200      -1.559900       2.443500    
 H   -1.475300      -2.968500       1.584400    
 H  -0.4322000      -2.214900     -0.8933000    
 H  -0.9166000     -0.6491000      -1.528100    
 H   0.6040000      -2.155400       1.737800    
 H   2.1600001E-02 -0.6430000       2.470300    
 H   -3.864300      -2.693700      0.2038000    
 H   -2.446600      -3.390600     -0.5495000    
 H    1.535300     -6.7500003E-02  -1.054200    
 H    1.835100      -1.614800     -0.2700000    
 H   -2.654000      -1.815800      -2.481200    
 H   -4.067600      -1.065300      -1.739600    
 H   -1.730100       1.072800     -0.8974000    
 H    2.342400     -0.3712000       1.900800    
 H    2.021800       1.143400       1.086000    
 H   -4.348000      -1.017800       1.794600    
 H   -4.735400      -2.705300      -3.423000    
 H   -5.279300      -3.229700      -1.820800    
 H   -3.862800      -3.991000      -2.572400    
 H   -5.665800       1.035000       2.110800    
 H   -5.035500       3.120400      0.9351000    
 H    4.311000      -1.725300       1.400000    
 H    3.583600       2.027500     -0.5858000    
 H    6.652800      -1.673600      0.6445000    
 H    5.924700       2.082700      -1.343600    
 H   -1.999400       2.633800      -2.394600    
 H   -1.716100       4.320800      -1.987000    
 H  -0.9335000       3.099400     -0.9929000    
 H    8.416900     -0.5137000     -0.5880000    
 H    8.120800       1.011700      -1.395400    


%chk=000016039-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000016039

0 1
O -2.692231 3.632031 0.223025
N 0.044575 -0.555332 0.239329
N 7.887299 -0.037156 -1.027218
C -2.219317 -1.411391 0.126804
C -1.610444 -1.773984 1.531083
C -0.914230 -1.198017 -0.696031
C -0.304662 -0.942615 1.641065
C -3.026089 -2.611668 -0.445451
C -3.071041 -0.124286 0.253110
C 1.465456 -0.647533 -0.131896
C -3.556426 -2.420120 -1.885476
C -2.461868 1.154417 0.140825
C 2.333571 0.435937 0.564460
C -4.456851 -0.187457 0.551594
C -4.397269 -3.623698 -2.363487
C -3.225241 2.331997 0.312265
C -5.211892 0.997552 0.721937
C 3.798946 0.340194 0.170153
C -4.609452 2.263713 0.602796
C 4.709824 -0.466852 0.899404
C 4.298936 1.016959 -0.972367
C 6.058754 -0.598445 0.513150
C 5.643812 0.899355 -1.375738
C 6.549766 0.084436 -0.636934
C -1.262358 3.752400 -0.068290
H -2.316451 -1.566040 2.352726
H -1.376429 -2.855968 1.547800
H -0.549929 -2.193559 -1.053124
H -1.072384 -0.560162 -1.586075
H 0.509160 -1.542066 2.106227
H -0.452283 -0.039880 2.265397
H -3.874685 -2.853118 0.225386
H -2.365604 -3.503470 -0.424251
H 1.548870 -0.516035 -1.227814
H 1.894203 -1.656098 0.103994
H -2.702049 -2.271936 -2.575837
H -4.165389 -1.497575 -1.936386
H -1.381961 1.192202 -0.042047
H 2.225693 0.327776 1.661213
H 1.915586 1.425512 0.296344
H -4.961395 -1.153677 0.650706
H -4.754020 -3.481547 -3.400122
H -5.285088 -3.766559 -1.718409
H -3.808374 -4.560404 -2.333904
H -6.282226 0.930802 0.948715
H -5.175473 3.191134 0.732126
H 4.358779 -0.997862 1.793812
H 3.623197 1.656185 -1.555684
H 6.739491 -1.226168 1.102206
H 6.000776 1.441622 -2.260587
H -1.012609 3.310653 -1.052874
H -1.062040 4.834167 -0.083148
H -0.646977 3.267150 0.714500
H 8.533186 -0.615195 -0.498555
H 8.237157 0.451279 -1.845645


