%chk=000029503.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029503

0 1
 O   -3.646200     -0.9845000     -0.1453000    
 O   -3.227100       1.739100      0.2128000    
 N    3.806000      0.7130000      0.1091000    
 N    1.485400       1.056800      0.1435000    
 N    2.408600      -1.150800     -0.1411000    
 N   0.9997000      -3.018500     -0.3915000    
 C   1.4300000E-02 -0.8207000     -0.1081000    
 C   0.2404000      0.5537000      7.2499998E-02
 C   -1.291800      -1.335300     -0.1809000    
 C    1.148900      -1.621100     -0.2079000    
 C  -0.8708000       1.387000      0.1766000    
 C   -2.383900     -0.4798000     -7.3700003E-02
 C   -2.172800      0.8828000      0.1052000    
 C    2.501700      0.1774000      3.3199999E-02
 C    4.003700       2.135800      0.2959000    
 C    4.961100     -0.1562000      1.5200000E-02
 C   -4.253600      -1.389600       1.080400    
 C   -3.723400       2.310900     -0.9959000    
 H   -1.478200      -2.397300     -0.3216000    
 H  -0.7246000       2.456900      0.3180000    
 H    3.560100       2.468400       1.240700    
 H    3.551600       2.702200     -0.5259000    
 H    5.065400       2.402900      0.3253000    
 H    5.901500      0.4006000      8.7099999E-02
 H    4.972100     -0.6853000     -0.9441000    
 H    4.958900     -0.8934000      0.8257000    
 H   0.5681000      -3.274700      -1.275000    
 H   0.5604000      -3.492900      0.3925000    
 H   -3.675900      -2.193800       1.546900    
 H   -5.257000      -1.762900      0.8583000    
 H   -4.339500     -0.5413000       1.766700    
 H   -2.947700       2.910000      -1.483300    
 H   -4.564300       2.963600     -0.7460000    
 H   -4.077200       1.529000      -1.675300    


%chk=000029503-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000029503

0 1
O -3.678925 -1.003732 -0.197412
O -3.204900 1.839374 0.247114
N 3.887482 0.683283 0.174700
N 1.572508 1.075558 0.203574
N 2.492203 -1.168654 -0.201422
N 1.162704 -3.031627 -0.580141
C 0.056692 -0.858081 -0.170006
C 0.299492 0.545342 0.088123
C -1.280336 -1.342477 -0.245937
C 1.248230 -1.680186 -0.316477
C -0.827660 1.418324 0.208494
C -2.367148 -0.476688 -0.100416
C -2.130967 0.931805 0.098587
C 2.601523 0.192950 0.059664
C 4.075403 2.116238 0.455161
C 5.036421 -0.225870 0.035579
C -4.467966 -0.906844 1.053565
C -4.069710 1.977402 -0.948765
H -1.511003 -2.402430 -0.402852
H -0.656357 2.484663 0.375578
H 3.602515 2.400398 1.413126
H 3.609525 2.738289 -0.330438
H 5.155213 2.332146 0.501581
H 5.964575 0.359071 0.141576
H 5.034794 -0.726806 -0.949338
H 5.019466 -1.019027 0.805628
H 0.275468 -3.504510 -0.717028
H 2.033141 -3.551282 -0.670312
H -3.992378 -1.509365 1.850972
H -5.458192 -1.321519 0.809738
H -4.557704 0.144303 1.381922
H -3.487200 2.402575 -1.787881
H -4.866097 2.677371 -0.653426
H -4.496911 1.002002 -1.242832


