%chk=000134133.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000134133

0 1
 O   -3.696600       1.195500       2.801100    
 O   -3.233100       3.099200      -1.377700    
 O   -5.951700       1.216500       2.548300    
 O   -4.391900      -2.502800      -1.664400    
 N   -3.112400       1.649700      0.4288000    
 N    3.100500       2.775000     -0.7155000    
 N    4.386600      0.3058000     -0.2851000    
 N    4.036700     -0.7386000       2.253500    
 N    4.524400      -2.860000       1.464000    
 N    5.047100      -3.225500     -0.8476000    
 N    5.065600      -1.397300      -2.344000    
 N   -6.811600      -3.964600     -0.8504000    
 N    5.018300      -5.011300      0.6665000    
 N   -7.270700      -4.793500      -1.368600    
 C   -4.531200       1.450500      0.5818000    
 C   -5.051600      0.2746000     -0.2508000    
 C   -4.498700      -1.098200      0.1821000    
 C    1.692600       2.698400     -0.6757000    
 C    3.881200       2.563200      0.4872000    
 C   -1.091900       2.549300     -0.5961000    
 C   -2.574800       2.470200     -0.5535000    
 C   -4.831500       1.289600       2.059900    
 C   0.9491000       2.917100      -1.835600    
 C    1.044000       2.405200      0.5239000    
 C  -0.4431000       2.842500      -1.795600    
 C  -0.3483000       2.330800      0.5636000    
 C    4.056000       1.093200      0.7501000    
 C    3.784100       3.080300      -1.956500    
 C   -5.080600      -2.253900     -0.6358000    
 C    3.883200      0.5764000       2.004800    
 C    4.539800      -1.008700     -3.4600001E-02
 C    4.366400      -1.549700       1.241100    
 C   -6.191600      -2.843500     -0.1504000    
 C    4.879400      -1.903400      -1.031300    
 C    4.856100      -3.632200      0.4125000    
 H   -5.033100       2.370500      0.2583000    
 H   -6.146900      0.2524000     -0.1771000    
 H   -4.811000      0.4488000      -1.307500    
 H   -4.727900      -1.262300       1.244200    
 H   -3.399900      -1.095200      0.1308000    
 H   -2.502800       1.096100       1.021700    
 H    4.887900       2.985300      0.3656000    
 H    3.471000       3.102300       1.349700    
 H    1.406600       3.148300      -2.792400    
 H    1.558500       2.237600       1.462200    
 H   -1.005100       3.011600      -2.710500    
 H  -0.8153000       2.132500       1.523900    
 H    4.872500       3.082500      -1.827900    
 H    3.509300       4.074700      -2.325300    
 H    3.566200       2.329800      -2.724700    
 H    3.618400       1.185800       2.860300    
 H   -6.660800      -2.504000      0.7675000    
 H   -3.892000       1.073700       3.754700    
 H    5.304700      -2.065800      -3.065700    
 H    4.564400     -0.5583000      -2.609500    
 H    5.266800      -5.630700     -9.2399999E-02
 H    4.883200      -5.363200       1.604200    


%chk=000134133-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000134133

0 1
O -4.194873 1.428112 2.977807
O -3.318981 2.521063 -1.570151
O -6.422394 1.318123 2.333465
O -4.755363 -2.790678 -1.495866
N -3.232567 1.581150 0.540136
N 3.116829 2.816696 -0.718375
N 4.602083 0.280159 -0.333164
N 4.482433 -0.758079 2.346186
N 5.129352 -2.899078 1.539012
N 5.529408 -3.239358 -0.883114
N 5.279004 -1.462186 -2.406874
N -7.443635 -3.485786 -0.937072
N 5.762353 -4.966412 0.664254
N -7.892347 -4.332572 -1.622187
C -4.692173 1.486703 0.586942
C -5.270133 0.297498 -0.245084
C -4.817268 -1.089798 0.277754
C 1.732826 2.627185 -0.656114
C 3.972032 2.550048 0.445739
C -1.128495 2.288533 -0.540718
C -2.615243 2.147571 -0.570949
C -5.218980 1.414567 2.015146
C 0.904604 2.889667 -1.795410
C 1.083578 2.182040 0.541001
C -0.485532 2.727248 -1.727830
C -0.310514 2.020889 0.589731
C 4.259076 1.072864 0.712992
C 3.756064 3.137536 -2.002924
C -5.408258 -2.217913 -0.574200
C 4.205467 0.526491 2.038674
C 4.878680 -1.029905 -0.051096
C 4.836013 -1.584069 1.283790
C -6.809648 -2.550507 -0.242064
C 5.240213 -1.944566 -1.131468
C 5.460027 -3.647011 0.446243
H -5.105694 2.406170 0.122392
H -6.372545 0.378470 -0.225451
H -4.933974 0.440260 -1.286147
H -5.131945 -1.219203 1.332182
H -3.717985 -1.170498 0.222086
H -2.709149 1.328662 1.377623
H 4.934011 3.070551 0.280493
H 3.530722 3.002235 1.355192
H 1.350087 3.227708 -2.734570
H 1.665256 1.945531 1.435623
H -1.115877 2.938209 -2.598144
H -0.743260 1.684368 1.540198
H 4.846856 3.182874 -1.863742
H 3.415422 4.116408 -2.395202
H 3.544908 2.363897 -2.767702
H 3.922613 1.171694 2.881018
H -7.362586 -2.055418 0.557550
H -4.592928 1.378059 3.888523
H 5.513006 -2.084320 -3.177175
H 5.038221 -0.482648 -2.558038
H 6.004384 -5.559546 -0.124888
H 5.721317 -5.327488 1.614067


