%chk=000006778.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000006778

0 1
 O    2.422600      0.6399000      0.4518000    
 O   -2.030700      0.2393000      0.6397000    
 O   0.8538000     -0.1662000      -1.073000    
 O   -1.943200      0.5950000      -1.662800    
 C   0.5700000       1.981400     -7.6499999E-02
 C  -0.8183000       2.078100     -0.1726000    
 C    1.326700       3.107600      0.2476000    
 C   -1.449700       3.300900      5.5500001E-02
 C    1.258700      0.7185000     -0.3081000    
 C   -1.636300      0.9201000     -0.5088000    
 C   0.6951000       4.330300      0.4756000    
 C  -0.6930000       4.427000      0.3795000    
 C    3.136400     -0.5490000      0.2790000    
 C   -2.820800     -0.8864000      0.3916000    
 C    4.097600     -0.6059000     -0.7054000    
 C   -2.200700      -2.102400      0.2104000    
 C    2.850100      -1.616900       1.099700    
 C   -4.188400     -0.7349000      0.3376000    
 C    4.809600      -1.792800     -0.8784000    
 C   -2.989300      -3.225700     -3.7999999E-02
 C    3.562200      -2.803900      0.9268000    
 C   -4.977000      -1.858300      8.9299999E-02
 C    4.542000      -2.891700     -6.2199999E-02
 C   -4.377400      -3.103800     -9.8499998E-02
 H    2.410800       3.071400      0.3155000    
 H   -2.530700       3.388700     -1.6400000E-02
 H    1.284300       5.208100      0.7244000    
 H   -1.184500       5.379200      0.5561000    
 H    4.306000      0.2497000      -1.340000    
 H   -1.120400      -2.197200      0.2586000    
 H    2.087400      -1.548300       1.869100    
 H   -4.654600      0.2343000      0.4842000    
 H    5.572400      -1.861200      -1.648500    
 H   -2.522400      -4.195300     -0.1840000    
 H    3.353600      -3.659700       1.562200    
 H   -6.057900      -1.763400      4.2199999E-02
 H    5.096300      -3.815900     -0.1967000    
 H   -4.991500      -3.978400     -0.2918000    


%chk=000006778-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000006778

0 1
O 2.051172 0.436315 0.613144
O -2.001543 0.291388 0.142722
O 0.511449 -0.050117 -1.101091
O -2.651913 1.503154 -1.768190
C 0.394547 2.067639 0.102631
C -0.945295 2.390322 -0.262413
C 1.231928 3.079189 0.636446
C -1.403535 3.722285 -0.140373
C 0.945488 0.712536 -0.208227
C -1.926585 1.370919 -0.763088
C 0.757263 4.399294 0.783289
C -0.558399 4.725317 0.381760
C 2.841750 -0.755471 0.559109
C -2.703572 -0.906053 -0.208296
C 2.545704 -1.904981 -0.210551
C -2.535520 -1.519064 -1.468005
C 3.978980 -0.700405 1.396525
C -3.492783 -1.485022 0.804779
C 3.426407 -3.008681 -0.126918
C -3.193600 -2.744551 -1.710943
C 4.843657 -1.811784 1.463773
C -4.139888 -2.714337 0.546815
C 4.570857 -2.971996 0.700364
C -3.994986 -3.344778 -0.711002
H 2.257570 2.821455 0.912327
H -2.427209 3.959006 -0.447141
H 1.415454 5.172530 1.192959
H -0.925999 5.752280 0.477460
H 1.665146 -1.935345 -0.851931
H -1.907810 -1.051843 -2.230242
H 4.164973 0.205144 1.981913
H -3.587469 -0.977444 1.769494
H 3.206915 -3.904075 -0.718670
H -3.075924 -3.231975 -2.684931
H 5.725688 -1.771617 2.111807
H -4.755278 -3.175174 1.327022
H 5.241660 -3.836021 0.752496
H -4.500502 -4.295841 -0.910122


