%chk=000006623.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000006623

0 1
 O    4.703700       1.734100     -0.1083000    
 O   -4.672700       1.759700      0.1081000    
 C   6.8999999E-03  -1.389900     -3.9999999E-04
 C    1.248100     -0.5641000     -2.8700000E-02
 C   -1.291300     -0.5160000      2.9500000E-02
 C  -0.1387000      -2.358700       1.233500    
 C   2.6799999E-02  -2.362600      -1.231700    
 C    1.470400      0.3250000      -1.080000    
 C   -1.447100      0.3329000       1.079600    
 C    2.187100     -0.6812000      0.9962000    
 C   -2.169500     -0.6691000     -0.9968000    
 C    2.631600       1.097300      -1.106600    
 C   -2.604200       1.111500       1.106300    
 C    3.348500      9.1100000E-02  0.9697000    
 C   -3.326500      0.1096000     -0.9702000    
 C    3.570700      0.9805000     -8.1699997E-02
 C   -3.543900      0.9999000      8.1400000E-02
 H   0.6710000      -3.098400       1.255800    
 H  -0.1297000      -1.828700       2.193000    
 H   -1.082800      -2.916500       1.186600    
 H   0.9347000      -2.980200      -1.208700    
 H  -0.8219000      -3.057500      -1.228400    
 H   4.1700002E-02  -1.836000      -2.193200    
 H   0.7523000      0.4367000      -1.887800    
 H  -0.7220000      0.4336000       1.879200    
 H    2.064300      -1.357100       1.835200    
 H   -2.055600      -1.336900      -1.838900    
 H    2.792600       1.787100      -1.930700    
 H   -2.761000       1.802300       1.930400    
 H    4.076900     -4.1000000E-03   1.770500    
 H   -4.055100      1.9600000E-02  -1.771500    
 H    4.692700       2.291700     -0.9051000    
 H   -4.658700       2.317000      0.9052000    


%chk=000006623-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000006623

0 1
O 4.821271 1.731635 -0.034367
O -4.806620 1.803290 0.032517
C -0.016825 -1.486371 0.000342
C 1.259433 -0.608043 0.034950
C -1.279762 -0.588248 -0.034570
C -0.130680 -2.405277 1.253836
C 0.082322 -2.407335 -1.252874
C 1.414834 0.432106 -0.919638
C -1.418860 0.455697 0.917943
C 2.324947 -0.823855 0.945996
C -2.348620 -0.790018 -0.944993
C 2.579953 1.223344 -0.970281
C -2.572312 1.264141 0.967747
C 3.499339 -0.040989 0.912963
C -3.511279 0.010106 -0.912800
C 3.628256 0.982959 -0.048615
C -3.624612 1.037415 0.047298
H 0.697492 -3.136930 1.293199
H -0.127777 -1.820037 2.190829
H -1.079240 -2.969158 1.212452
H 1.022256 -2.985595 -1.211829
H -0.756659 -3.126573 -1.291704
H 0.088004 -1.822415 -2.190083
H 0.602469 0.638432 -1.626338
H -0.602999 0.651656 1.623526
H 2.251163 -1.610463 1.703290
H -2.286279 -1.578498 -1.701303
H 2.669844 2.022939 -1.717980
H -2.649798 2.066506 1.713878
H 4.316973 -0.210472 1.620127
H -4.331724 -0.148173 -1.619318
H 4.810501 2.419262 -0.745435
H -4.785713 2.491561 0.742739


