%chk=000031469.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031469

0 1
 O   -1.261600     -0.4710000      -1.228500    
 O   -1.302200      0.8227000      0.7639000    
 O    2.889100       1.235400      0.5538000    
 C   0.8496000      0.3065000     -0.2738000    
 C    1.077800     -0.9697000      0.5593000    
 C   6.3600004E-02 -4.6000000E-02  -1.550600    
 C   2.0900000E-02   1.314300      0.5449000    
 C    2.206600      0.9174000     -0.6425000    
 C   -1.950000      0.5308000     -0.4765000    
 C    1.901100      -1.982000     -0.2201000    
 C   -3.338700      1.8000000E-03 -0.1613000    
 C    2.106700      -3.249900      0.5932000    
 C   -3.257600      -1.278800      0.6718000    
 C   -4.171300       1.057500      0.5686000    
 C    4.166200       1.811000      0.2978000    
 H   0.1185000      -1.423800      0.8386000    
 H    1.582700     -0.7310000       1.504000    
 H  -1.6799999E-02  0.8378000      -2.198500    
 H   0.5333000     -0.8115000      -2.170800    
 H   0.4674000       1.495100       1.528700    
 H  -4.6399999E-02   2.284600      3.6800001E-02
 H    2.043900       1.844700      -1.208200    
 H    2.812600      0.2693000      -1.283300    
 H   -2.032800       1.447100      -1.076800    
 H    2.897000      -1.602200     -0.4623000    
 H    1.420200      -2.285000      -1.152500    
 H   -3.842100     -0.2499000      -1.103700    
 H   -2.778500      -1.107600       1.641600    
 H   -4.262500      -1.670000      0.8663000    
 H   -2.699700      -2.063600      0.1507000    
 H   -3.749100       1.306700       1.547900    
 H   -5.192700      0.6961000      0.7296000    
 H   -4.234000       1.978800     -2.0199999E-02
 H    2.632700      -3.036300       1.529400    
 H    1.148900      -3.721100      0.8367000    
 H    2.704100      -3.972000      2.7300000E-02
 H    4.638800       2.037700       1.257100    
 H    4.060300       2.740800     -0.2692000    
 H    4.800700       1.105400     -0.2471000    


%chk=000031469-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000031469

0 1
O -1.256985 -0.438727 -1.277447
O -1.285666 0.765578 0.815919
O 2.956195 1.337850 0.560116
C 0.914674 0.298428 -0.280547
C 1.151464 -1.013555 0.523195
C 0.097710 0.054504 -1.580748
C 0.076569 1.283931 0.586403
C 2.239601 0.984822 -0.669107
C -1.978239 0.533698 -0.448572
C 1.810719 -2.182903 -0.242408
C -3.384163 -0.011947 -0.164614
C 2.093879 -3.383230 0.688191
C -3.330526 -1.332334 0.637588
C -4.236623 1.060841 0.552022
C 4.232656 1.991780 0.287021
H 0.173010 -1.348152 0.916166
H 1.783879 -0.755519 1.395415
H 0.019651 1.004509 -2.160530
H 0.552924 -0.715294 -2.223915
H 0.519639 1.411263 1.584706
H 0.015491 2.276936 0.083566
H 2.037981 1.908557 -1.262058
H 2.865809 0.309405 -1.295170
H -2.014486 1.503199 -1.009451
H 2.763685 -1.854618 -0.705338
H 1.151779 -2.518127 -1.067347
H -3.827662 -0.219168 -1.159417
H -2.886213 -1.159422 1.633350
H -4.350047 -1.737309 0.774204
H -2.720590 -2.086174 0.111077
H -3.791281 1.314164 1.530064
H -5.262175 0.686011 0.721895
H -4.309227 1.991044 -0.043528
H 2.785710 -3.097832 1.502799
H 1.159311 -3.747336 1.154791
H 2.548030 -4.226714 0.136001
H 4.685343 2.211315 1.266682
H 4.092994 2.939937 -0.275799
H 4.911880 1.330692 -0.293072


