%chk=000125497.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000125497

0 1
 O   -4.750100      0.4282000      0.1475000    
 N    1.258500     -0.5535000      0.2322000    
 N   -2.317800       1.592800      0.7012000    
 C   -1.196300     -0.4530000      9.7300000E-02
 C   3.7900001E-02  0.1469000      0.3813000    
 C   -2.365100      0.3169000      0.2735000    
 C    2.561200     -0.1334000     -8.5299999E-02
 C    3.678700     -0.8189000      0.4017000    
 C   -1.283000      -1.782100     -0.3508000    
 C   -3.591000     -0.2794000     -8.7000001E-03
 C   9.0000004E-02   1.461500      0.8217000    
 C    2.742700      0.9880000     -0.9008000    
 C   -2.522200      -2.353200     -0.6257000    
 C   -3.677400      -1.600700     -0.4542000    
 C   -1.106400       2.134800      0.9637000    
 C    4.964600     -0.3872000      7.6200001E-02
 C    3.521000      -2.020800       1.275200    
 C    4.028500       1.419600      -1.226200    
 C    5.139500      0.7320000     -0.7378000    
 C   -5.213400       1.161500     -0.9820000    
 H    1.189200      -1.538600      0.4632000    
 H  -0.4037000      -2.400600     -0.5075000    
 H    1.016000       1.962400       1.080300    
 H    1.898900       1.530000      -1.319400    
 H   -2.585600      -3.379600     -0.9740000    
 H   -4.645400      -2.045900     -0.6681000    
 H   -1.128700       3.162500       1.310800    
 H    5.841300     -0.9118000      0.4469000    
 H    4.485200      -2.374000       1.657400    
 H    2.898800      -1.788400       2.146000    
 H    3.069300      -2.845000      0.7136000    
 H    4.165100       2.287400      -1.865000    
 H    6.140500       1.067300     -0.9927000    
 H   -4.472600       1.904700      -1.293400    
 H   -6.132100       1.682700     -0.6991000    
 H   -5.437900      0.4852000      -1.813000    


%chk=000125497-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000125497

0 1
O -4.934627 0.052439 -0.411857
N 1.266480 -0.543093 0.006047
N -2.432426 1.603186 -0.120658
C -1.169301 -0.543414 -0.299975
C 0.075012 0.186659 -0.094951
C -2.407049 0.220468 -0.265284
C 2.606286 -0.086133 -0.125879
C 3.632178 -0.780985 0.591444
C -1.200834 -1.950161 -0.545767
C -3.657148 -0.498021 -0.417153
C 0.015057 1.586161 0.040533
C 2.948894 0.985071 -0.993626
C -2.427161 -2.605023 -0.715301
C -3.646198 -1.888827 -0.637457
C -1.249474 2.233456 0.009070
C 4.973315 -0.366827 0.418185
C 3.287255 -1.932835 1.519394
C 4.293294 1.383245 -1.137623
C 5.315176 0.710514 -0.430043
C -5.246228 1.406057 0.084141
H 1.160317 -1.526574 0.257378
H -0.274323 -2.523826 -0.659666
H 0.915470 2.177141 0.218947
H 2.168295 1.481104 -1.577473
H -2.451180 -3.680908 -0.918879
H -4.609414 -2.392857 -0.759265
H -1.294212 3.323915 0.118782
H 5.761388 -0.895592 0.967806
H 4.180117 -2.271750 2.070249
H 2.520808 -1.642163 2.263173
H 2.897614 -2.815711 0.970551
H 4.540772 2.208937 -1.813864
H 6.360975 1.015777 -0.539663
H -4.818738 1.570322 1.087546
H -6.347926 1.420830 0.121232
H -4.854263 2.177719 -0.594093


