%chk=000028816.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028816

0 1
 O  -0.9696000     -0.3093000      0.5205000    
 O    1.217000     -0.4060000      0.9498000    
 O   0.4682000     -0.6710000      -1.244500    
 O    3.210900       2.686300     -0.8423000    
 O    1.854200       2.276800      0.9349000    
 C   -4.596300     -0.2046000     -0.4556000    
 C   -5.905400      3.3599999E-02  0.3022000    
 C   -3.358100     -0.1481000      0.4378000    
 C   -7.146400     -4.7499999E-02 -0.5877000    
 C   -2.080500     -0.3577000     -0.3642000    
 C   -8.411800      0.2674000      0.1960000    
 C   0.2601000     -0.4821000     -5.2700002E-02
 C    2.520600     -0.5707000      0.4743000    
 C    3.243300      0.5308000      7.1500003E-02
 C    3.033900      -1.849300      0.4302000    
 C    4.543400      0.3453000     -0.3987000    
 C    4.334000      -2.034600     -3.9799999E-02
 C    5.088700     -0.9375000     -0.4543000    
 C    2.693700       1.878400      0.1225000    
 H   -4.503900      0.5456000      -1.250800    
 H   -4.641300      -1.183900     -0.9483000    
 H   -5.992600     -0.7032000       1.110400    
 H   -5.864400       1.021300      0.7783000    
 H   -3.425200     -0.9085000       1.225700    
 H   -3.308300      0.8177000      0.9558000    
 H   -7.053500      0.6605000      -1.419300    
 H   -7.226600      -1.050600      -1.021900    
 H   -1.979200      0.4292000      -1.120900    
 H   -2.106800      -1.333700     -0.8629000    
 H   -9.287600      0.2018000     -0.4570000    
 H   -8.548500     -0.4398000       1.020300    
 H   -8.374100       1.278800      0.6129000    
 H    2.447700      -2.703700      0.7538000    
 H    5.161400       1.181000     -0.7165000    
 H    4.758900      -3.033300     -8.2099997E-02
 H    6.102100      -1.081900     -0.8174000    
 H    2.835800       3.591700     -0.8000000    


%chk=000028816-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000028816

0 1
O -0.972778 -0.613508 0.327602
O 1.196221 -0.890016 0.722103
O 0.475494 -0.670852 -1.519925
O 3.192468 2.690316 -0.823902
O 1.167024 1.824470 -0.115702
C -4.657308 -0.043465 -0.530890
C -5.932555 -0.004779 0.341245
C -3.381417 -0.328750 0.296077
C -7.215444 0.289376 -0.469169
C -2.135021 -0.365836 -0.584742
C -8.484539 0.327922 0.409393
C 0.240670 -0.692656 -0.298370
C 2.570853 -0.792042 0.389945
C 3.172463 0.401790 -0.106141
C 3.347631 -1.932430 0.672841
C 4.576130 0.395046 -0.337328
C 4.739277 -1.911103 0.446739
C 5.354799 -0.745644 -0.068562
C 2.390134 1.644449 -0.332628
H -4.548287 0.925732 -1.060712
H -4.776427 -0.818178 -1.316976
H -6.047275 -0.974909 0.868173
H -5.813607 0.765832 1.131070
H -3.482883 -1.295669 0.825106
H -3.252244 0.451178 1.070316
H -7.099435 1.258452 -0.996272
H -7.333256 -0.481308 -1.258283
H -1.958951 0.592852 -1.105939
H -2.171900 -1.177118 -1.335309
H -9.387742 0.538143 -0.192383
H -8.639238 -0.638707 0.925041
H -8.405129 1.112358 1.185555
H 2.843314 -2.820884 1.063269
H 5.036677 1.307828 -0.722980
H 5.337213 -2.802068 0.665723
H 6.433492 -0.726785 -0.252946
H 2.615377 3.490160 -0.951039


