%chk=000047678.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047678

0 1
 N    1.617700      0.2337000      0.2091000    
 N   -4.067600      0.3115000     -0.4107000    
 C    2.762400     -0.2701000     -0.3607000    
 C    1.438600       1.620200      0.5997000    
 C   0.7081000     -0.7685000      0.4074000    
 C    3.916200      0.6069000     -0.7145000    
 C    2.458900       2.551000     -5.4000001E-02
 C    3.862500       1.949100      1.8500000E-02
 C    1.274700      -1.939800     -4.6200000E-02
 C  -0.6178000     -0.5344000       1.019300    
 C    2.569700      -1.627000     -0.5306000    
 C   -1.703100     -0.2093000     -2.7799999E-02
 C   0.6546000      -3.279700     -3.2299999E-02
 C   -3.077800     -1.3000000E-02  0.6097000    
 C   -5.381000      0.5113000      0.1850000    
 C   -6.416200      0.8579000     -0.8717000    
 H    1.539700       1.651900       1.690700    
 H   0.4281000       1.937200      0.3261000    
 H    4.860500      0.1013000     -0.4827000    
 H    3.900500      0.7829000      -1.797200    
 H    2.438400       3.528200      0.4408000    
 H    2.189500       2.715500      -1.105000    
 H    4.143500       1.809100       1.070100    
 H    4.592200       2.638600     -0.4204000    
 H  -0.5732000      0.2672000       1.765900    
 H  -0.9218000      -1.431100       1.574800    
 H    3.286900      -2.311800     -0.9625000    
 H   -1.420200      0.6946000     -0.5824000    
 H   -1.752000      -1.022700     -0.7640000    
 H  -0.3014000      -3.270900     -0.5658000    
 H    1.298500      -4.022700     -0.5142000    
 H   0.4734000      -3.609800      0.9957000    
 H   -3.364800     -0.9284000       1.141200    
 H   -3.017300      0.7986000       1.344800    
 H   -4.111100     -0.4376000      -1.101000    
 H   -5.704300     -0.3947000      0.7112000    
 H   -5.344000       1.327800      0.9157000    
 H   -6.145800       1.776500      -1.403400    
 H   -6.516100      5.2800000E-02  -1.607500    
 H   -7.394900       1.012900     -0.4064000    


%chk=000047678-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000047678

0 1
N 1.610088 0.214288 0.165985
N -4.107833 0.386155 -0.328118
C 2.801282 -0.266710 -0.401567
C 1.405969 1.605464 0.614430
C 0.738884 -0.865623 0.422896
C 3.912060 0.673624 -0.805738
C 2.379715 2.563029 -0.102670
C 3.825749 2.019923 -0.043720
C 1.380591 -2.040364 -0.010510
C -0.628223 -0.670110 1.025755
C 2.673366 -1.655029 -0.523516
C -1.719915 -0.238327 0.005137
C 0.819566 -3.441878 0.029329
C -3.104693 -0.066923 0.658282
C -5.471618 0.576788 0.211831
C -6.438991 1.045980 -0.888612
H 1.569406 1.668658 1.711267
H 0.359552 1.902297 0.418237
H 4.890582 0.188726 -0.632405
H 3.857098 0.884135 -1.895398
H 2.310599 3.558201 0.374857
H 2.075923 2.680796 -1.161510
H 4.121131 1.876787 1.015130
H 4.529668 2.749741 -0.484907
H -0.592128 0.076770 1.846329
H -0.940616 -1.621974 1.496850
H 3.425532 -2.324122 -0.942180
H -1.437810 0.713587 -0.484082
H -1.773301 -0.999915 -0.799525
H 0.519392 -3.796863 -0.976529
H 1.565597 -4.161456 0.415915
H -0.072455 -3.508920 0.678753
H -3.392993 -1.026105 1.164089
H -3.042941 0.700567 1.457355
H -4.117807 -0.224688 -1.158309
H -5.877442 -0.349156 0.695500
H -5.415888 1.345845 1.008032
H -6.075732 1.984794 -1.341958
H -6.526861 0.289279 -1.692285
H -7.450303 1.217929 -0.477718


