%chk=000076596.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000076596

0 1
 O  -0.8916000     -0.1875000      -1.797600    
 O   0.7809000      -2.042900     -0.9287000    
 O    4.725800     -0.2642000       1.064600    
 C   -2.828000       1.307900     -0.2752000    
 C   -3.202300      5.8300000E-02  0.5282000    
 C   -1.326100       1.600200     -0.2355000    
 C   -4.710900     -0.1878000      0.4980000    
 C  -0.4802000      0.5051000     -0.8698000    
 C   0.9017000      0.2832000     -0.3570000    
 C   -5.094400      -1.400700       1.330600    
 C    1.456300     -0.9765000     -0.4148000    
 C    1.579200       1.367500      0.1581000    
 C    2.752500      -1.162000      6.6399999E-02
 C    2.875100       1.182000      0.6393000    
 C    3.461800     -8.2699999E-02  0.5934000    
 H   -3.153700       1.184600      -1.315200    
 H   -3.364700       2.175500      0.1275000    
 H   -2.686800     -0.8225000      0.1291000    
 H   -2.871600      0.1814000       1.566800    
 H   -1.125100       2.531900     -0.7764000    
 H   -1.033100       1.737700      0.8114000    
 H   -5.240100      0.6918000      0.8826000    
 H   -5.042300     -0.3399000     -0.5358000    
 H   -4.606000      -2.305200      0.9541000    
 H   -4.806200      -1.264900       2.377800    
 H   -6.176800      -1.558700       1.293900    
 H    1.156800       2.366500      0.1878000    
 H    3.211100      -2.147300      3.1099999E-02
 H    3.424700       2.027200       1.044800    
 H    1.346100      -2.832700     -0.8772000    
 H    4.972200      -1.198800      0.9556000    


%chk=000076596-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000076596

0 1
O -1.032847 -0.740449 -1.315720
O 1.248214 -2.187042 -1.122106
O 5.128754 0.145231 0.752303
C -2.816987 1.153132 -0.262219
C -3.479447 0.093622 0.647767
C -1.300976 1.307488 -0.023147
C -4.996329 -0.050531 0.391068
C -0.476274 0.123871 -0.578350
C 0.981321 0.069120 -0.232627
C -5.664433 -1.099345 1.306361
C 1.813687 -1.060474 -0.526423
C 1.615380 1.179245 0.401623
C 3.194291 -1.052343 -0.203459
C 2.979401 1.207321 0.723819
C 3.772283 0.077360 0.414536
H -2.984772 0.872017 -1.319352
H -3.308042 2.133932 -0.098566
H -2.988189 -0.884281 0.481686
H -3.313769 0.363331 1.713010
H -0.935327 2.234937 -0.512727
H -1.096133 1.428968 1.059711
H -5.489193 0.933827 0.532836
H -5.155941 -0.329618 -0.670193
H -5.206706 -2.096184 1.162223
H -5.547017 -0.828002 2.372914
H -6.746621 -1.190424 1.097758
H 1.014122 2.059732 0.642444
H 3.811605 -1.932144 -0.437170
H 3.443792 2.072642 1.202792
H 1.931248 -2.896855 -1.240599
H 5.609203 -0.681583 0.497707


