%chk=000100687.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100687

0 1
 O   0.2662000      -2.654000      0.5004000    
 O   0.2904000       2.588300     -0.4885000    
 N   -2.159800      -1.448500      0.2770000    
 N   -2.147300       1.403700     -0.2615000    
 N    2.646700       1.368100     -0.2628000    
 N    3.910000     -0.6496000      0.1148000    
 C   -2.349200      -2.554500     -0.6566000    
 C   -3.187800      -1.324200     -0.7518000    
 C   -3.067000       1.466100      0.8705000    
 C   -2.218200       2.639600      0.5121000    
 C   -1.029900     -0.6896000      0.1323000    
 C   -1.024100      0.6352000     -0.1178000    
 C   0.2503000      -1.449000      0.2738000    
 C   0.2619000       1.383700     -0.2607000    
 C    1.506100     -0.7094000      0.1320000    
 C    1.517700      0.6414000     -0.1230000    
 C    2.743400      -1.316400      0.2436000    
 C    3.790400      0.6690000     -0.1336000    
 H   -2.772100      -3.432900     -0.1922000    
 H   -1.591500      -2.705400      -1.412600    
 H   -3.005900     -0.6815000      -1.601200    
 H   -4.192000      -1.355200     -0.3558000    
 H   -2.805500      0.9043000       1.755900    
 H   -4.105500       1.473200      0.5742000    
 H   -2.670700       3.455800     -3.0999999E-02
 H   -1.428400       2.878600       1.210200    
 H    2.849800      -2.377500      0.4434000    
 H    4.712700       1.226400     -0.2410000    


%chk=000100687-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000100687

0 1
O 0.327732 -2.728348 0.303380
O 0.359029 2.748982 -0.361284
N -2.144244 -1.365682 0.144065
N -2.108378 1.437098 -0.114933
N 2.822686 1.392743 -0.196844
N 4.047056 -0.709929 0.069560
C -2.481516 -2.652360 -0.516585
C -3.234468 -1.370845 -0.882844
C -3.187190 1.467721 0.921641
C -2.406954 2.731437 0.546672
C -0.928871 -0.683056 0.043331
C -0.910856 0.725195 -0.042123
C 0.323331 -1.460715 0.148560
C 0.354613 1.492516 -0.184617
C 1.610507 -0.704877 0.069665
C 1.645322 0.704281 -0.107649
C 2.854808 -1.375477 0.154779
C 3.962925 0.645003 -0.103567
H -2.961006 -3.393786 0.129238
H -1.765276 -3.061572 -1.235703
H -3.016169 -0.906055 -1.850903
H -4.246430 -1.210054 -0.499470
H -2.970678 0.996799 1.887051
H -4.206527 1.331863 0.548175
H -2.875011 3.484016 -0.094470
H -1.673385 3.123320 1.258027
H 2.889327 -2.460235 0.290624
H 4.910321 1.187715 -0.173675


