%chk=000018712.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018712

0 1
 O    3.953100     -0.3030000       1.313100    
 O    4.266000      -1.015200     -0.8621000    
 C   0.5217000     -0.5949000     -9.4400004E-02
 C    1.418000      0.6095000      0.4276000    
 C  -0.8737000     -0.6314000      0.6761000    
 C    2.756300      0.8090000     -0.3737000    
 C   0.3365000     -0.4491000      -1.630500    
 C   0.6091000       1.934600      0.4462000    
 C    2.510300      0.8483000      -1.892800    
 C    1.646000     -0.2962000      -2.403900    
 C   -1.547500      0.7262000      0.7709000    
 C  -0.6737000       1.842700       1.249800    
 C    1.210200      -1.957300      0.1952000    
 C   -1.849600      -1.718200      0.1393000    
 C    3.515300       2.093300      2.9200001E-02
 C    3.745500     -0.2798000     -3.4200002E-02
 C   -3.280300      -1.528100      0.6387000    
 C   -2.855900      0.9287000      0.5323000    
 C   -3.781600     -0.1559000      0.2785000    
 C   -5.013900      5.9099998E-02 -0.2034000    
 C    4.875000      -1.295100       1.776200    
 C   -5.971200      -1.066000     -0.4655000    
 C   -5.515600       1.438800     -0.5127000    
 H    1.657800      0.3924000       1.478100    
 H  -0.6515000     -0.9086000       1.718800    
 H  -0.3074000      0.4102000      -1.853000    
 H  -0.1708000      -1.327500      -2.043700    
 H   0.3753000       2.260200     -0.5740000    
 H    1.203800       2.734400      0.9007000    
 H    3.460100      0.8476000      -2.443500    
 H    2.015700       1.791200      -2.160300    
 H    1.410700     -0.1150000      -3.460200    
 H    2.206200      -1.236600      -2.388400    
 H   -1.192000       2.808300       1.205400    
 H  -0.4306000       1.669600       2.306000    
 H    1.440800      -2.059500       1.261400    
 H   0.5720000      -2.800200     -8.6700000E-02
 H    2.130500      -2.114600     -0.3626000    
 H   -1.508400      -2.712500      0.4482000    
 H   -1.881700      -1.718900     -0.9545000    
 H    4.540100       2.093600     -0.3638000    
 H    3.029900       2.992600     -0.3661000    
 H    3.584800       2.204700       1.117600    
 H   -3.309600      -1.650100       1.729200    
 H   -3.880800      -2.336500      0.2121000    
 H   -3.245900       1.937200      0.6274000    
 H    4.949900      -1.208200       2.863300    
 H    5.864200      -1.125100       1.340700    
 H    4.509400      -2.296100       1.528100    
 H   -7.004300     -0.6992000     -0.4618000    
 H   -5.780200      -1.512000      -1.446500    
 H   -5.936400      -1.842400      0.3045000    
 H   -6.267400       1.397500      -1.309800    
 H   -5.991000       1.879400      0.3693000    
 H   -4.741900       2.115800     -0.8858000    


%chk=000018712-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000018712

0 1
O 3.905389 -0.515174 1.365393
O 4.503374 -0.948401 -0.833810
C 0.555537 -0.538195 -0.117316
C 1.430492 0.669092 0.421582
C -0.841246 -0.573403 0.659325
C 2.809264 0.824641 -0.343075
C 0.356858 -0.376157 -1.655491
C 0.648476 2.012087 0.382175
C 2.582350 0.894914 -1.879661
C 1.693554 -0.242487 -2.426394
C -1.548507 0.775739 0.700124
C -0.687768 1.933877 1.149807
C 1.246608 -1.900579 0.179772
C -1.798411 -1.686351 0.150025
C 3.582864 2.106492 0.116958
C 3.792843 -0.314478 -0.017312
C -3.244406 -1.521272 0.677970
C -2.884826 0.935593 0.438241
C -3.831130 -0.177410 0.251221
C -5.126572 -0.003271 -0.187331
C 4.882799 -1.546796 1.782243
C -6.154823 -1.120674 -0.258606
C -5.681768 1.336189 -0.650676
H 1.669179 0.458277 1.485300
H -0.564606 -0.818061 1.714024
H -0.282946 0.506772 -1.854076
H -0.188829 -1.251071 -2.056358
H 0.449377 2.316241 -0.662832
H 1.261064 2.810547 0.838043
H 3.562839 0.881935 -2.390655
H 2.108756 1.870233 -2.107567
H 1.480430 -0.053247 -3.496667
H 2.254599 -1.194612 -2.386287
H -1.238516 2.889546 1.058605
H -0.453810 1.802657 2.230395
H 1.443356 -2.013523 1.262456
H 0.602816 -2.737819 -0.142041
H 2.202308 -2.024283 -0.353145
H -1.420297 -2.681566 0.447323
H -1.838785 -1.668922 -0.954562
H 4.611532 2.096752 -0.289392
H 3.088604 3.016088 -0.263453
H 3.646344 2.163314 1.217387
H -3.232771 -1.578917 1.787490
H -3.852646 -2.368667 0.317452
H -3.285545 1.957738 0.470332
H 4.848817 -1.539312 2.880933
H 5.890500 -1.294221 1.411593
H 4.590389 -2.532830 1.382066
H -7.099835 -0.802025 0.226107
H -6.411430 -1.357178 -1.312042
H -5.829486 -2.053105 0.228583
H -6.208302 1.213798 -1.618447
H -6.433691 1.725671 0.066250
H -4.909068 2.107510 -0.791979


