%chk=000011742.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000011742

0 1
 O    4.558300      -1.374000      9.0300001E-02
 C  -0.4409000       1.240200      2.4200000E-02
 C   0.9456000      0.5147000      4.2300001E-02
 C   -1.583100      0.2828000     -3.6899999E-02
 C  -0.4111000       2.184900       1.284400    
 C  -0.5618000       2.237500      -1.181200    
 C    1.188900     -0.3402000       1.070800    
 C    1.807700      0.7924000     -0.9716000    
 C   -1.699200     -0.5967000      -1.113300    
 C   -2.535300      0.2673000      0.9822000    
 C    2.425200     -0.9860000       1.087100    
 C    3.043900      0.1465000     -0.9553000    
 C   -2.767600      -1.491800      -1.170600    
 C   -3.603600     -0.6278000      0.9250000    
 C    3.352700     -0.7426000      7.4100003E-02
 C   -3.719700      -1.507300     -0.1515000    
 H   0.4655000       2.845100       1.260800    
 H   -1.298100       2.829500       1.319200    
 H  -0.3668000       1.631200       2.229300    
 H   -1.532800       2.749800      -1.150000    
 H   0.2043000       3.022000      -1.152400    
 H  -0.5126000       1.738800      -2.156300    
 H   0.4747000     -0.5427000       1.861000    
 H    1.625500       1.466300      -1.796700    
 H  -0.9684000     -0.6062000      -1.917400    
 H   -2.493200      0.9293000       1.839900    
 H    2.653000      -1.677600       1.893900    
 H    3.762700      0.3386000      -1.747500    
 H   -2.857600      -2.177400      -2.008200    
 H   -4.345600     -0.6405000       1.718100    
 H   -4.551400      -2.204300     -0.1959000    
 H    4.601400      -1.951200      0.8721000    


%chk=000011742-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000011742

0 1
O 4.692347 -1.397529 0.031197
C -0.435386 1.333472 0.021129
C 0.919041 0.581029 -0.024307
C -1.607417 0.317274 0.036166
C -0.422799 2.239936 1.288128
C -0.639250 2.254642 -1.219093
C 1.161550 -0.471252 0.897695
C 1.971298 0.933944 -0.907538
C -1.652154 -0.703362 -0.952996
C -2.673699 0.387080 0.966989
C 2.398122 -1.146171 0.942676
C 3.216541 0.269555 -0.878895
C -2.724810 -1.616741 -1.013878
C -3.751659 -0.529047 0.912220
C 3.430926 -0.771019 0.049298
C -3.784656 -1.533637 -0.078965
H 0.457830 2.905532 1.255469
H -1.326115 2.875845 1.339663
H -0.358365 1.643386 2.215799
H -1.639648 2.720280 -1.172609
H 0.110258 3.067191 -1.245374
H -0.575402 1.687184 -2.164564
H 0.362989 -0.779282 1.582480
H 1.830808 1.736657 -1.637736
H -0.827261 -0.788037 -1.670703
H -2.672779 1.155244 1.746540
H 2.554966 -1.959849 1.663559
H 4.024296 0.543266 -1.564412
H -2.734355 -2.394987 -1.785784
H -4.563458 -0.455685 1.645399
H -4.618687 -2.243177 -0.122434
H 4.737528 -2.111142 0.714779


