%chk=000029737.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029737

0 1
 O   -2.236800     -0.6678000     -0.1195000    
 O    1.539100       2.070600      0.1997000    
 O  -0.5795000      -3.033300     -0.5546000    
 C  -0.3884000      0.6228000      2.8800000E-02
 C  -0.8746000     -0.6664000     -0.1636000    
 C   -1.533100       1.445600      0.1989000    
 C    1.002700      0.8245000      1.6200000E-02
 C    1.840700     -0.2801000     -0.1891000    
 C   -2.625500      0.6155000      0.1003000    
 C  -6.7299999E-02  -1.783500     -0.3697000    
 C    1.312800      -1.559800     -0.3785000    
 C    3.325400     -0.1039000     -0.2070000    
 C   -1.557200       2.902200      0.4351000    
 C   -4.075800      0.8438000      0.1855000    
 C    3.949700     -0.2581000       1.174100    
 C    1.749800       2.856600     -0.9679000    
 C  -0.7821000      -3.828500      0.6114000    
 H    1.980700      -2.405200     -0.5343000    
 H    3.772900     -0.8448000     -0.8826000    
 H    3.613800      0.8644000     -0.6273000    
 H   -2.494500       3.214300      0.9079000    
 H  -0.7442000       3.213100       1.098200    
 H   -1.463600       3.445000     -0.5104000    
 H   -4.370000       1.044100       1.220200    
 H   -4.369600       1.701500     -0.4276000    
 H   -4.639700     -2.6500000E-02 -0.1652000    
 H    3.562800      0.4937000       1.870100    
 H    5.036100     -0.1380000       1.114100    
 H    3.740400      -1.246800       1.596400    
 H   0.7995000       3.255600      -1.332700    
 H    2.230300       2.281700      -1.765900    
 H    2.399300       3.695600     -0.7034000    
 H   0.1681000      -4.004000       1.125500    
 H   -1.196200      -4.792100      0.3021000    
 H   -1.492200      -3.342800       1.288100    


%chk=000029737-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000029737

0 1
O -2.104346 -0.888508 0.295471
O 1.618500 2.111873 0.029718
O -0.142207 -3.313772 -0.033792
C -0.250120 0.499318 0.121930
C -0.698089 -0.853141 0.118401
C -1.437117 1.333715 0.322029
C 1.135861 0.770631 -0.016432
C 2.050524 -0.306888 -0.129627
C -2.516520 0.473248 0.419000
C 0.180402 -1.951165 -0.014245
C 1.555825 -1.638404 -0.131799
C 3.551434 -0.056352 -0.181652
C -1.472509 2.836955 0.429141
C -3.981691 0.669974 0.629809
C 4.147602 0.204540 1.227420
C 1.665858 2.771679 -1.288772
C -1.558205 -3.712524 0.023080
H 2.252418 -2.478329 -0.223728
H 4.053161 -0.929145 -0.640327
H 3.774884 0.818232 -0.820120
H -2.433262 3.191177 0.841452
H -0.657424 3.197917 1.079149
H -1.336417 3.321176 -0.557410
H -4.332479 0.138852 1.534181
H -4.210431 1.741598 0.748311
H -4.567806 0.286982 -0.226569
H 3.686616 1.101798 1.675497
H 5.240096 0.365903 1.168792
H 3.960515 -0.652473 1.899418
H 0.653009 2.855596 -1.729364
H 2.317731 2.214500 -1.990288
H 2.080548 3.776289 -1.109773
H -2.027712 -3.387054 0.967487
H -1.539986 -4.811274 -0.035536
H -2.124864 -3.293925 -0.827554


