%chk=000031224.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031224

0 1
 O   8.3800003E-02 -0.8567000     -0.3645000    
 O   -1.261500      -2.729900     -0.2282000    
 C    4.684000     -6.8999999E-03  0.2229000    
 C   -4.603500      5.4000001E-03  5.4499999E-02
 C    3.471800     -0.8390000      0.3023000    
 C    4.663400       1.153200     -0.5352000    
 C    5.823600     -0.3991000      0.9075000    
 C    1.247500      -1.685200     -0.4574000    
 C    2.453300     -0.8086000     -0.5712000    
 C   -4.492400       1.324600     -0.3848000    
 C   -5.807600     -0.4523000      0.5898000    
 C   -3.463800     -0.8927000     -4.5499999E-02
 C    5.811800       1.941400     -0.6107000    
 C    6.971900      0.3893000      0.8321000    
 C    6.965900       1.559500      7.2800003E-02
 C   -5.585100       2.186200     -0.2888000    
 C   -6.900400      0.4093000      0.6858000    
 C   -6.789000       1.728500      0.2465000    
 C   -2.174900     -0.5067000     -0.1731000    
 C   -1.098800      -1.520300     -0.2548000    
 H    3.429400      -1.532100       1.139600    
 H    3.782400       1.500600      -1.065400    
 H    5.844500      -1.308700       1.502000    
 H    1.175500      -2.311600      -1.354100    
 H    1.303400      -2.332300      0.4259000    
 H    2.466000     -0.1558000      -1.438700    
 H   -3.582200       1.719500     -0.8266000    
 H   -5.913000      -1.476800      0.9387000    
 H   -3.699700      -1.953800      7.9999998E-04
 H    5.806300       2.855400      -1.197500    
 H    7.870700      9.2100002E-02   1.364300    
 H    7.859600       2.173800      1.5100000E-02
 H   -5.500600       3.212300     -0.6349000    
 H   -7.837900      5.3199999E-02   1.102600    
 H   -7.640300       2.399000      0.3203000    
 H   -1.872300      0.5341000     -0.1990000    


%chk=000031224-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000031224

0 1
O 0.049272 -1.387859 1.149951
O -0.629512 -1.873434 -1.039647
C 4.540232 -0.018883 0.146674
C -4.359797 0.295890 -0.179100
C 3.481567 -0.843798 0.761899
C 4.498685 0.416627 -1.209627
C 5.657647 0.365478 0.940828
C 1.327026 -2.144988 0.887610
C 2.334890 -1.290255 0.173008
C -4.665685 0.967616 1.041341
C -5.326692 0.322021 -1.225497
C -3.098039 -0.419827 -0.408899
C 5.533747 1.208757 -1.743915
C 6.695285 1.158590 0.406592
C 6.637999 1.584831 -0.939954
C -5.893436 1.637031 1.203746
C -6.557056 0.991737 -1.062497
C -6.845543 1.652384 0.153895
C -2.061019 -0.578746 0.469858
C -0.855716 -1.334202 0.076501
H 3.656821 -1.120296 1.813601
H 3.654866 0.134170 -1.848654
H 5.706211 0.038399 1.987254
H 1.062760 -3.037541 0.290982
H 1.666221 -2.433554 1.895077
H 2.092246 -1.045531 -0.868477
H -3.940354 0.966817 1.862267
H -5.103723 -0.190146 -2.169536
H -2.970734 -0.882856 -1.398970
H 5.484357 1.534684 -2.789036
H 7.545077 1.443151 1.037051
H 7.441463 2.200147 -1.359654
H -6.113961 2.149430 2.146712
H -7.287605 0.999833 -1.878623
H -7.799704 2.174526 0.285001
H -2.065995 -0.171300 1.485339


