%chk=000112068.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000112068

0 1
 O    1.548800      0.7737000      0.5219000    
 O  -0.9691000     -0.1048000     -0.1684000    
 O   -2.491700      -1.718300      0.4458000    
 C    1.400100     -0.3341000     -0.3726000    
 C    2.588000      -1.288900     -0.2325000    
 C    3.902500     -0.5497000     -0.4638000    
 C    3.974000      0.7004000      0.4060000    
 C    2.717100       1.544200      0.2410000    
 C   9.1700003E-02  -1.034400     -3.3100002E-02
 C   -2.224000     -0.5755000      0.1021000    
 C   -3.228800      0.5083000     -8.3200000E-02
 C   -2.794400       1.877800     -0.5077000    
 C   -4.514200      0.2013000      0.1446000    
 H    1.337500      6.1400000E-02  -1.394900    
 H    2.498100      -2.123100     -0.9371000    
 H    2.604100      -1.712100      0.7801000    
 H    3.979000     -0.2641000      -1.520100    
 H    4.749500      -1.209500     -0.2459000    
 H    4.063500      0.3917000       1.454900    
 H    4.863600       1.288000      0.1565000    
 H    2.738500       2.384600      0.9420000    
 H    2.645600       1.959900     -0.7710000    
 H   0.1140000      -1.390200       1.004300    
 H  -7.0400000E-02  -1.884200     -0.7062000    
 H   -2.102100       2.305600      0.2249000    
 H   -2.294700       1.837600      -1.481200    
 H   -3.641800       2.565600     -0.6006000    
 H   -5.293700      0.9476000      2.6699999E-02
 H   -4.834600     -0.7886000      0.4521000    


%chk=000112068-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000112068

0 1
O 1.704113 0.747461 0.822513
O -1.016836 -0.033386 -0.135930
O -2.476012 -1.637379 0.715651
C 1.403937 -0.256672 -0.218127
C 2.572048 -1.261187 -0.359535
C 3.891668 -0.512828 -0.665162
C 4.151659 0.586853 0.391651
C 2.924391 1.511228 0.504694
C 0.111494 -0.941957 0.199537
C -2.291409 -0.509275 0.192286
C -3.350307 0.493336 -0.164621
C -2.929495 1.815089 -0.772669
C -4.643141 0.148523 0.088225
H 1.250522 0.263673 -1.191654
H 2.343161 -1.984443 -1.166344
H 2.673954 -1.832169 0.584707
H 3.821350 -0.045200 -1.669336
H 4.736695 -1.224774 -0.700186
H 4.343432 0.120323 1.377192
H 5.044464 1.185240 0.124537
H 3.025415 2.236054 1.329481
H 2.775911 2.068831 -0.448131
H 0.105986 -1.139964 1.285882
H -0.034545 -1.897240 -0.337503
H -2.226361 2.348120 -0.108267
H -2.396966 1.659447 -1.728270
H -3.806913 2.458186 -0.955961
H -5.470280 0.828554 -0.141897
H -4.881833 -0.824246 0.531838


