%chk=000018061.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018061

0 1
 O    1.343100     -0.2598000      -1.972400    
 O   -3.555200      -1.707800      0.6055000    
 O   -4.287100      0.9697000      0.4675000    
 N    3.416100     -0.2702000      2.7899999E-02
 C    1.034100     -0.5715000     -0.6073000    
 C    2.042800      0.1334000      0.3214000    
 C  -0.3728000     -0.1674000     -0.3227000    
 C    4.355100      0.4234000      0.8965000    
 C   -1.321600      -1.133400      1.2600000E-02
 C  -0.7403000       1.176500     -0.3922000    
 C   -2.637900     -0.7555000      0.2783000    
 C   -2.056300       1.554300     -0.1265000    
 C   -3.005100      0.5885000      0.2088000    
 C    5.785100      1.9800000E-02  0.6025000    
 H    1.145100      -1.657900     -0.5000000    
 H    1.794500     -9.1200002E-02   1.366500    
 H    1.975900       1.219400      0.1857000    
 H    3.511300      -1.278100      0.1477000    
 H    4.266400       1.507500      0.7587000    
 H    4.136500      0.2026000       1.948200    
 H   -1.044900      -2.183400      6.9499999E-02
 H  -2.1800000E-02   1.944300     -0.6652000    
 H   -2.329800       2.604400     -0.1871000    
 H    2.271800     -0.5066000      -2.121900    
 H    5.935700      -1.053100      0.7630000    
 H    6.057000      0.2518000     -0.4328000    
 H    6.474600      0.5584000       1.260500    
 H   -4.410700      -1.269400      0.7560000    
 H   -4.355700       1.935200      0.3721000    


%chk=000018061-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000018061

0 1
O 1.657890 0.347987 -1.776785
O -3.379082 -1.449950 1.257778
O -4.380271 0.921231 0.445065
N 3.383137 -0.409580 0.140291
C 1.075856 -0.481772 -0.726886
C 1.958982 -0.306296 0.548956
C -0.369989 -0.085150 -0.470777
C 4.369013 0.244711 1.038436
C -1.217684 -0.961136 0.253734
C -0.865365 1.161867 -0.916128
C -2.541264 -0.585322 0.541438
C -2.199165 1.541835 -0.634397
C -3.028649 0.671483 0.094717
C 5.797800 0.080266 0.493615
H 1.110173 -1.554453 -1.031168
H 1.655786 -1.031580 1.335289
H 1.796482 0.712155 0.947764
H 3.653058 -1.385014 -0.057311
H 4.108762 1.318770 1.094046
H 4.317157 -0.154107 2.079226
H -0.872415 -1.944307 0.592365
H -0.203658 1.807263 -1.498800
H -2.584900 2.506572 -0.988827
H 2.641083 0.341338 -1.547552
H 6.087854 -0.986864 0.444455
H 5.876354 0.504457 -0.522802
H 6.525070 0.594699 1.146570
H -4.270439 -1.020682 1.349493
H -4.695676 1.785479 0.088994


