%chk=000048878.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048878

0 1
 O   -1.407900       2.985500      0.2642000    
 N   -1.195400     -0.5877000     -9.2299998E-02
 N   0.3947000       1.140500      9.9399999E-02
 N   -1.854100       1.683000      0.1685000    
 N    2.846000      -1.589400      0.4930000    
 C   -2.614900     -0.9670000     -0.1282000    
 C   -3.273000     -0.2611000      -1.313300    
 C   -2.690500      -2.484100     -0.2963000    
 C   -3.262500     -0.5384000       1.188200    
 C  -0.9130000      0.6702000      4.1900001E-02
 C    1.617100      0.4376000      4.8999999E-02
 C    2.757800       1.034400     -0.4670000    
 C    1.707100     -0.8613000      0.5124000    
 C    3.948600      0.3173000     -0.5037000    
 C    3.940000     -0.9795000     -1.5699999E-02
 H   -3.578200      0.7769000      -1.187400    
 H   -2.632800     -0.3090000      -2.203100    
 H   -4.203900     -0.7821000      -1.574200    
 H   -2.184500      -2.997300      0.5297000    
 H   -2.198100      -2.801300      -1.222900    
 H   -3.727800      -2.835000     -0.3290000    
 H   -3.988800      0.2740000       1.083300    
 H   -3.852900      -1.364900       1.606000    
 H   -2.539300     -0.2740000       1.968100    
 H   0.5099000       2.148800      3.6600001E-02
 H   -2.846700       1.587100      0.3022000    
 H    2.734800       2.053200     -0.8437000    
 H   0.8734000      -1.385700      0.9648000    
 H    4.854700      0.7593000     -0.9018000    
 H    4.843000      -1.581100     -2.2100000E-02
 H   -1.881300       3.411000     -0.4707000    


%chk=000048878-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000048878

0 1
O -1.194718 3.251257 0.172560
N -1.296937 -0.458824 0.030940
N 0.406505 1.204407 -0.010837
N -1.844730 1.921306 -0.053557
N 2.783661 -1.688855 -0.323072
C -2.693845 -0.984282 -0.018208
C -3.384079 -0.594122 -1.355914
C -2.546908 -2.526552 0.051935
C -3.551984 -0.519851 1.197565
C -0.926722 0.786740 0.011260
C 1.584872 0.437825 -0.104925
C 2.828930 1.130550 -0.085462
C 1.619294 -0.985125 -0.221644
C 4.028868 0.402119 -0.186108
C 3.964877 -1.006196 -0.306180
H -3.465725 0.501872 -1.464015
H -2.799113 -0.981066 -2.209098
H -4.398159 -1.031872 -1.403994
H -2.072916 -2.823977 1.004158
H -1.902359 -2.880822 -0.771127
H -3.531733 -3.022545 -0.027583
H -3.924791 0.518204 1.093332
H -4.444847 -1.163831 1.293176
H -2.970704 -0.600443 2.133779
H 0.508513 2.220971 0.094476
H -2.602596 1.852983 0.641117
H 2.848774 2.223969 0.007739
H 0.684039 -1.546617 -0.223009
H 4.996587 0.914168 -0.172671
H 4.874779 -1.610966 -0.389014
H -1.395332 3.739475 -0.669720


