%chk=000122934.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000122934

0 1
 O    1.317300       1.401600     -0.2614000    
 O   -4.767200     -0.2537000     -0.5657000    
 C   -2.501300     -0.1383000      0.2646000    
 C   6.5300003E-02  0.8963000     -8.9000002E-02
 C   -3.873100     -0.6912000      0.4535000    
 C   -2.154400       1.080700      0.8471000    
 C   -1.564900     -0.8401000     -0.4947000    
 C  -0.8712000       1.597900      0.6702000    
 C  -0.2816000     -0.3229000     -0.6716000    
 C    2.387300      0.5355000     -0.1118000    
 C    2.404900     -0.3342000      0.9637000    
 C    3.411100      0.5630000      -1.041300    
 C    3.483200      -1.206100       1.114700    
 C    4.489300     -0.3090000     -0.8902000    
 C    4.525200      -1.193500      0.1878000    
 C   -6.069900     -0.7860000     -0.3760000    
 H   -3.832000      -1.788200      0.4563000    
 H   -4.261800     -0.3879000       1.434400    
 H   -2.875400       1.638000       1.439200    
 H   -1.825500      -1.787300     -0.9596000    
 H  -0.6067000       2.548100       1.126200    
 H   0.4194000     -0.8796000      -1.287900    
 H    1.617800     -0.3469000       1.712000    
 H    3.384200       1.250900      -1.881000    
 H    3.514100      -1.891000       1.957000    
 H    5.300900     -0.2991000      -1.611800    
 H    5.365400      -1.871400      0.3062000    
 H   -6.048300      -1.879300     -0.4172000    
 H   -6.712000     -0.4202000      -1.181800    
 H   -6.486200     -0.4525000      0.5795000    


%chk=000122934-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000122934

0 1
O 1.309342 1.045467 -0.632815
O -4.963029 0.222731 0.325442
C -2.652690 -0.392239 -0.122253
C 0.015533 0.504005 -0.407372
C -4.076835 -0.899548 0.028259
C -2.334413 0.976008 0.046259
C -1.614921 -1.302878 -0.444352
C -1.003517 1.426544 -0.093529
C -0.281991 -0.866886 -0.591643
C 2.474941 0.357254 -0.214930
C 2.512659 -0.488918 0.918928
C 3.647708 0.637899 -0.951854
C 3.744782 -1.063969 1.303430
C 4.871199 0.058550 -0.552542
C 4.926383 -0.797895 0.572958
C -6.351188 -0.199457 0.482457
H -4.405695 -1.405472 -0.909378
H -4.132817 -1.653631 0.847873
H -3.137982 1.676002 0.288371
H -1.845152 -2.365817 -0.592363
H -0.743144 2.481859 0.031560
H 0.509573 -1.574433 -0.857155
H 1.603714 -0.682971 1.496625
H 3.581879 1.304196 -1.817218
H 3.778982 -1.716030 2.183503
H 5.781220 0.275321 -1.122912
H 5.877080 -1.247101 0.878870
H -6.741882 -0.669870 -0.445435
H -6.928810 0.712338 0.699916
H -6.467028 -0.917457 1.322701


