%chk=000080394.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080394

0 1
 O    1.919600      0.6145000       1.023000    
 O    1.740300      0.1785000      -1.303000    
 C   0.4092000      -1.170100      0.2501000    
 C    1.367500     -0.6599000       1.358600    
 C    1.206600      -1.128000      -1.077800    
 C  -0.8946000     -0.3553000      0.1118000    
 C   4.3900002E-02  -2.631600      0.5867000    
 C    2.599500      0.5684000     -0.2312000    
 C   -1.118600      0.7324000      0.9484000    
 C   -1.833700     -0.7163000     -0.8479000    
 C    3.112300       1.966200     -0.5325000    
 C   -2.296700       1.468700      0.8235000    
 C   -3.011800      2.0000000E-02 -0.9727000    
 C   -3.243300       1.112500     -0.1370000    
 H   0.8710000     -0.5828000       2.332600    
 H    2.203200      -1.358200       1.501200    
 H    2.038900      -1.843900      -1.060200    
 H   0.5924000      -1.388400      -1.945600    
 H  -0.5514000      -2.688200       1.505800    
 H  -0.5325000      -3.111300     -0.2118000    
 H   0.9439000      -3.239400      0.7368000    
 H    3.452900     -0.1191000     -0.1674000    
 H  -0.4272000       1.053400       1.717500    
 H   -1.679000      -1.562100      -1.510800    
 H    3.643500       1.991500      -1.489200    
 H    2.279400       2.675400     -0.6011000    
 H    3.778200       2.319400      0.2611000    
 H   -2.478700       2.318400       1.475100    
 H   -3.749100     -0.2573000      -1.720500    
 H   -4.160800       1.685500     -0.2339000    


%chk=000080394-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000080394

0 1
O 1.945287 0.625610 1.079957
O 1.789074 0.250413 -1.303061
C 0.399908 -1.183398 0.224755
C 1.348792 -0.694898 1.355403
C 1.218109 -1.091135 -1.102116
C -0.899790 -0.357112 0.117354
C 0.078789 -2.677471 0.508686
C 2.673182 0.607103 -0.192854
C -1.101806 0.850702 0.833760
C -1.943495 -0.804265 -0.737764
C 3.215782 1.999886 -0.447576
C -2.314003 1.569515 0.719598
C -3.152063 -0.086009 -0.859672
C -3.346885 1.105846 -0.124313
H 0.815653 -0.583199 2.313956
H 2.165983 -1.439815 1.485356
H 2.038846 -1.845230 -1.079893
H 0.582350 -1.272804 -1.983282
H -0.505774 -2.778556 1.440874
H -0.512258 -3.132612 -0.304876
H 1.008195 -3.268612 0.616387
H 3.472750 -0.172871 -0.119416
H -0.298641 1.253039 1.456859
H -1.820620 -1.726207 -1.319304
H 3.776480 2.019344 -1.396617
H 2.377632 2.712810 -0.513194
H 3.882902 2.303264 0.376096
H -2.444602 2.499908 1.284341
H -3.940020 -0.455670 -1.525952
H -4.284856 1.665324 -0.213890


