%chk=000048413.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048413

0 1
 O   0.1971000      0.4707000       2.084900    
 O  -0.1815000      -1.952100      -2.010600    
 O   -3.529900      0.8431000     -0.6788000    
 N   -1.669100      0.6950000      0.7230000    
 N   -1.819600     -0.5284000      -1.292100    
 C    1.429300      0.1675000     -0.6246000    
 C   0.2799000     -0.6403000     -4.0100001E-02
 C   0.9464000       1.446900      -1.323800    
 C    2.007500       2.509700      -1.037100    
 C    2.361300      0.7057000      0.4169000    
 C  -0.3897000      0.2079000       1.029900    
 C   0.7772000      -1.876500      0.6551000    
 C  -0.5758000      -1.119300      -1.192300    
 C    2.678300       1.983400      0.1865000    
 C    2.079800      -2.433700      0.1624000    
 C   -2.414300      0.3800000     -0.4252000    
 C   9.5600002E-02  -2.448300       1.658800    
 C   -2.272400       1.588800       1.707100    
 H    2.012100     -0.4021000      -1.360400    
 H  -1.4400000E-02   1.820000     -0.9587000    
 H   0.8264000       1.293200      -2.402600    
 H    1.549300       3.487100     -0.8598000    
 H    2.725700       2.596900      -1.858700    
 H    2.781900      0.1533000       1.244800    
 H    3.361600       2.559900      0.7929000    
 H   -2.377500     -0.8020000      -2.096500    
 H    2.081900      -2.576400     -0.9224000    
 H    2.949500      -1.843200      0.4517000    
 H    2.250200      -3.431900      0.5859000    
 H   0.4768000      -3.338600       2.149800    
 H  -0.8630000      -2.084200       2.011200    
 H   -3.242800       1.972900       1.384100    
 H   -1.593200       2.428700       1.886200    
 H   -2.396100       1.040500       2.646600    


%chk=000048413-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000048413

0 1
O 0.069678 0.970587 1.918307
O 0.016742 -1.499442 -2.273127
O -3.885474 0.110415 -0.395244
N -1.888245 0.553246 0.769879
N -1.890483 -0.724005 -1.238953
C 1.546481 0.326930 -0.585546
C 0.301140 -0.478923 -0.042302
C 1.189767 1.655744 -1.328860
C 2.419124 2.590896 -1.098822
C 2.566880 0.777879 0.450617
C -0.487865 0.400880 0.945240
C 0.732864 -1.803294 0.674504
C -0.506734 -0.934267 -1.275677
C 3.065195 2.004458 0.151134
C 1.840480 -2.609762 0.022151
C -2.638527 -0.012640 -0.283492
C 0.105200 -2.237337 1.798723
C -2.610641 1.365913 1.779662
H 2.028053 -0.365323 -1.305653
H 0.298408 2.121289 -0.865493
H 0.968555 1.491186 -2.397493
H 2.124123 3.649121 -0.971306
H 3.121364 2.557320 -1.957548
H 2.865554 0.155505 1.298739
H 3.852715 2.518670 0.711303
H -2.434821 -1.094371 -2.025131
H 1.637239 -2.776438 -1.051087
H 2.814383 -2.090338 0.094171
H 1.941825 -3.589051 0.519274
H 0.403292 -3.179294 2.272010
H -0.686458 -1.673609 2.302498
H -3.677257 1.363209 1.515766
H -2.214952 2.394172 1.783490
H -2.459107 0.934874 2.782367


