%chk=000047922.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047922

0 1
 O   -1.889500     -0.7134000     -0.9817000    
 O   -3.093100      0.1606000      0.8347000    
 C   -2.114900      0.4486000     -0.1724000    
 C    1.356000       2.114000      0.7235000    
 C   9.4599999E-02   1.710900     -1.1100000E-02
 C  -0.8387000      0.8665000      0.4694000    
 C    2.582500       1.267100      0.3587000    
 C   -2.569200      -1.768700     -0.3013000    
 C   -3.691300      -1.062700      0.4089000    
 C  -9.6900001E-02   2.357900      -1.359000    
 C    2.442600     -0.1676000      0.7867000    
 C    2.565700      -1.276300      3.3000000E-02
 C    2.396400      -2.638700      0.6515000    
 C    2.855800      -1.298300      -1.440700    
 H   -2.535700       1.233900     -0.8075000    
 H    1.181200       2.052100       1.806200    
 H    1.570300       3.171200      0.5221000    
 H  -0.6420000      0.4180000       1.443000    
 H    2.792100       1.371200     -0.7087000    
 H    3.453100       1.683600      0.8808000    
 H   -1.867200      -2.222600      0.4067000    
 H   -2.911500      -2.528400      -1.008300    
 H   -4.511100     -0.8196000     -0.2757000    
 H   -4.084900      -1.620300       1.262200    
 H   0.8314000       2.298600      -1.937900    
 H  -0.3516000       3.415400      -1.233800    
 H  -0.8676000       1.890100      -1.976100    
 H    2.237100     -0.2966000       1.849200    
 H    2.182700      -2.587500       1.724400    
 H    1.567000      -3.170800      0.1739000    
 H    3.309400      -3.229300      0.5229000    
 H    2.043900      -1.804200      -1.974000    
 H    3.784800      -1.846000      -1.631300    
 H    2.965900     -0.3081000      -1.885800    


%chk=000047922-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000047922

0 1
O -1.534623 -1.183178 -0.800494
O -2.994665 0.097298 0.574734
C -1.837801 0.223810 -0.325323
C 1.388358 2.140084 0.840396
C 0.191383 1.745731 -0.014791
C -0.680466 0.795012 0.426953
C 2.708152 1.394823 0.422776
C -2.561009 -2.076159 -0.213106
C -3.714120 -1.114854 0.129685
C 0.104721 2.449483 -1.358159
C 2.726479 -0.057007 0.857786
C 2.448274 -1.159836 0.103417
C 2.467012 -2.549152 0.720886
C 2.065700 -1.129445 -1.365039
H -2.118116 0.789839 -1.234736
H 1.187320 1.922563 1.906106
H 1.563525 3.232043 0.753556
H -0.525614 0.334518 1.411053
H 2.850423 1.489512 -0.670035
H 3.556769 1.927402 0.896753
H -2.161700 -2.568640 0.694397
H -2.823957 -2.832391 -0.971954
H -4.336441 -0.894788 -0.761777
H -4.347795 -1.440699 0.968751
H 1.060904 2.351379 -1.908407
H -0.064792 3.534333 -1.212011
H -0.694742 2.063537 -2.010372
H 2.959263 -0.216485 1.922997
H 2.721512 -2.519956 1.795023
H 1.476959 -3.035859 0.611589
H 3.200439 -3.204635 0.209871
H 1.001137 -1.414763 -1.480758
H 2.669096 -1.857399 -1.942756
H 2.195715 -0.135523 -1.824513


