%chk=000047886.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047886

0 1
 O   -3.232000       1.754700       1.525100    
 O   -4.806200       1.451700      -1.698500    
 C   -2.500900     -2.1600001E-02  9.4499998E-02
 C   -3.260100       1.296700      0.1712000    
 C   -1.071600     -6.2100001E-02  6.5700002E-02
 C   -3.239300      -1.225400      0.1181000    
 C   -4.728500       1.227000     -0.2913000    
 C  -0.4244000      -1.314400      2.6400000E-02
 C    1.816600     -0.2418000     -6.6999998E-03
 C    1.163900       1.008900      4.5299999E-02
 C  -0.2422000       1.081400      8.2099997E-02
 C   0.9823000      -1.385000     -1.2900000E-02
 C   -4.703100      -1.216200      0.1872000    
 C   -2.573300      -2.451100      8.9299999E-02
 C   -5.390900     -8.7600000E-02 -1.7300000E-02
 C   -1.183300      -2.492300      3.5500001E-02
 C    3.256900     -0.2858000     -4.5699999E-02
 C    3.987100      0.9308000     -2.9700000E-02
 C    1.917100       2.186800      6.0800001E-02
 C    3.307100       2.149000      2.3800001E-02
 C    4.016900      -1.481400     -0.1002000    
 C    5.392100      0.9238000     -6.6600002E-02
 C    5.414000      -1.474800     -0.1364000    
 C    6.101800     -0.2715000     -0.1196000    
 H   -2.758300       2.048900     -0.4474000    
 H   -5.305400       2.021400      0.1959000    
 H  -0.6947000       2.071300      0.1279000    
 H    1.431400      -2.376700     -4.5400001E-02
 H   -5.224200      -2.150100      0.3695000    
 H   -3.125500      -3.387900      0.1051000    
 H   -6.476800     -0.1169000     -2.0999999E-03
 H  -0.6954000      -3.465100      9.3999999E-03
 H    1.427400       3.158200      0.1014000    
 H    3.852400       3.090800      3.7099998E-02
 H   -2.370300       1.538100       1.918200    
 H    3.533300      -2.454700     -0.1162000    
 H   -4.219500      0.8137000      -2.140100    
 H    5.950400       1.858200     -5.4200001E-02
 H    5.959100      -2.413400     -0.1778000    
 H    7.187100     -0.2611000     -0.1476000    


%chk=000047886-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000047886

0 1
O -3.254241 1.739311 1.605319
O -4.895173 1.669778 -1.652924
C -2.510429 -0.049464 0.069939
C -3.244730 1.275830 0.185450
C -1.065774 -0.084484 0.032441
C -3.246673 -1.251083 0.092982
C -4.733711 1.256327 -0.230323
C -0.384883 -1.372241 0.019899
C 1.832190 -0.257879 -0.012102
C 1.152507 1.029752 0.005011
C -0.258147 1.087822 0.027458
C 1.034828 -1.420888 -0.005002
C -4.716970 -1.222267 0.120094
C -2.558893 -2.516320 0.078672
C -5.428039 -0.063984 -0.005424
C -1.172220 -2.575527 0.043179
C 3.303266 -0.290785 -0.035418
C 4.033141 0.951636 -0.042287
C 1.936854 2.249779 -0.004072
C 3.313837 2.211907 -0.026796
C 4.049948 -1.506342 -0.050843
C 5.459812 0.936221 -0.064303
C 5.453669 -1.502860 -0.072062
C 6.168215 -0.273252 -0.078967
H -2.761482 2.052102 -0.440157
H -5.221120 2.069813 0.331992
H -0.729691 2.077021 0.030659
H 1.503022 -2.411013 -0.016518
H -5.237601 -2.182682 0.224151
H -3.152464 -3.437923 0.096644
H -6.523192 -0.065389 -0.013394
H -0.657280 -3.543299 0.036522
H 1.405107 3.208324 0.006895
H 3.896506 3.140600 -0.033779
H -2.402013 1.467469 2.032937
H 3.529711 -2.469127 -0.046066
H -4.708950 0.882385 -2.227599
H 5.997980 1.891584 -0.069502
H 6.000768 -2.451813 -0.083375
H 7.263315 -0.274538 -0.095534


