%chk=000051983.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051983

0 1
 O  -0.3551000       2.125000       1.095900    
 N    1.740700       1.679600     -0.6290000    
 N   -3.924000       2.260100      0.9481000    
 C   0.4073000       1.787200      -1.164600    
 C   -1.967600       1.112100     -0.3959000    
 C  -0.6078000       1.713600     -3.7400000E-02
 C   -1.969100     -0.3902000     -0.2013000    
 C    2.292400      0.4381000     -0.2776000    
 C    2.533000       2.901300     -0.4654000    
 C   -1.240300     -0.9356000      0.8403000    
 C   -2.699500      -1.181700      -1.069500    
 C    3.386100      0.3734000      0.5916000    
 C    1.752700     -0.7441000     -0.7943000    
 C   -3.062100       1.754000      0.3581000    
 C   -1.241800      -2.318900       1.019700    
 C   -2.701100      -2.565000     -0.8899000    
 C    3.934700     -0.8607000      0.9402000    
 C    2.301300      -1.978200     -0.4456000    
 C   -1.972100      -3.133500      0.1548000    
 C    3.392300      -2.036500      0.4218000    
 H   0.1908000       1.051300      -1.942700    
 H   0.2521000       2.760100      -1.647900    
 H   -2.130300       1.338100      -1.459000    
 H    3.533000       2.784800     -0.8981000    
 H    2.619500       3.167300      0.5934000    
 H    2.066400       3.752400     -0.9732000    
 H  -0.6786000     -0.3342000       1.546300    
 H   -3.271100     -0.7485000      -1.885000    
 H    3.832500       1.262200       1.027600    
 H   0.9200000     -0.7633000      -1.487800    
 H  -0.6775000      -2.761600       1.835400    
 H   -3.270000      -3.199500      -1.563100    
 H    4.782500     -0.9070000       1.617400    
 H    1.881700      -2.894100     -0.8518000    
 H   -1.973700      -4.210500      0.2950000    
 H    3.819400      -2.997500      0.6932000    


%chk=000051983-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000051983

0 1
O -0.276334 1.885349 1.281379
N 1.793999 1.605270 -0.700213
N -3.846651 2.450331 1.270300
C 0.393500 1.553239 -1.068412
C -2.072124 1.193828 -0.269824
C -0.602117 1.584174 0.115790
C -2.193215 -0.341683 -0.188394
C 2.481877 0.433486 -0.314997
C 2.400477 2.923166 -0.457180
C -2.087119 -0.996061 1.064021
C -2.375469 -1.104069 -1.367278
C 3.856276 0.498159 0.069246
C 1.848149 -0.847939 -0.313084
C -3.051100 1.884876 0.585331
C -2.171417 -2.403227 1.132850
C -2.456220 -2.513395 -1.295539
C 4.564930 -0.670850 0.412189
C 2.572700 -2.007690 0.029519
C -2.354417 -3.165461 -0.045173
C 3.937466 -1.937259 0.390619
H 0.174192 0.664761 -1.692816
H 0.142823 2.430356 -1.701593
H -2.247868 1.503508 -1.318831
H 3.330065 3.054145 -1.044857
H 2.633622 3.075790 0.614848
H 1.695124 3.712875 -0.762852
H -1.938937 -0.406120 1.975682
H -2.470747 -0.601394 -2.337890
H 4.376699 1.459156 0.101563
H 0.785765 -0.955138 -0.552099
H -2.091206 -2.904236 2.103376
H -2.603667 -3.097520 -2.210294
H 5.619309 -0.586884 0.700661
H 2.055474 -2.974336 0.023511
H -2.419901 -4.257429 0.011156
H 4.492765 -2.841777 0.658984


