%chk=000052696.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052696

0 1
 Br  -2.608100      -1.570600       1.494900    
 O   -1.095700      -1.265300      -1.282600    
 C   -1.842700      4.6999999E-03  0.6214000    
 C   -2.959200      0.7591000     -9.8600000E-02
 C  -0.7942000     -0.5455000     -0.3314000    
 C   0.6403000     -0.2051000     -0.1202000    
 C   -2.433200       1.977100     -0.8464000    
 C   0.9556000       1.004000      0.4598000    
 C    1.600600      -1.111600     -0.5121000    
 C    2.299100       1.322500      0.6579000    
 C    2.944100     -0.7932000     -0.3139000    
 C    3.293400      0.4239000      0.2712000    
 H   -1.427900      0.5888000       1.443800    
 H   -3.470900      0.1055000     -0.8166000    
 H   -3.717200       1.083800      0.6249000    
 H   -3.263400       2.512800      -1.318100    
 H   -1.729400       1.695900      -1.635600    
 H   -1.932600       2.670500     -0.1635000    
 H   0.2123000       1.739400      0.7450000    
 H    1.343400      -2.065100     -0.9635000    
 H    2.571900       2.273100       1.107000    
 H    3.718300      -1.493200     -0.6141000    
 H    4.339500      0.6725000      0.4242000    


%chk=000052696-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000052696

0 1
Br -1.997170 -0.514067 2.302550
O -1.129462 -0.983753 -1.222697
C -1.754292 0.550849 0.546828
C -3.112768 0.720123 -0.136991
C -0.722337 -0.241084 -0.281772
C 0.740633 -0.091174 0.011162
C -3.018470 1.690098 -1.341927
C 1.244173 0.691288 1.086630
C 1.658140 -0.762495 -0.844690
C 2.634784 0.800880 1.296115
C 3.045656 -0.650111 -0.635519
C 3.538477 0.134259 0.435844
H -1.352360 1.514174 0.901101
H -3.466233 -0.267339 -0.480030
H -3.837801 1.106521 0.601542
H -4.019948 1.832176 -1.785331
H -2.356029 1.286910 -2.126700
H -2.641256 2.685016 -1.038355
H 0.561585 1.193915 1.779176
H 1.252735 -1.364304 -1.664763
H 3.014294 1.399723 2.130908
H 3.743542 -1.169856 -1.300666
H 4.618105 0.222250 0.601084


