%chk=000095579.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000095579

0 1
 Br  -1.512200      -2.489200      8.6400002E-02
 O   -3.044700       1.229800      0.3813000    
 O   -3.693000     -0.7251000     -0.6542000    
 C    2.145800      0.3509000     -0.3600000    
 C   0.9814000     -0.3825000      0.3107000    
 C    3.490000     -0.1081000      0.2091000    
 C  -0.3675000      0.1032000     -0.2302000    
 C    4.689000      0.6121000     -0.4116000    
 C   -1.541700     -0.5704000      0.4706000    
 C    6.022100      0.2110000      0.2005000    
 C   -2.877300     -6.4300001E-02 -2.4300000E-02
 C   -4.291900       1.832600      2.1700000E-02
 H    2.123700      0.1697000      -1.441300    
 H    2.036400       1.431700     -0.2098000    
 H    1.114100      -1.456100      0.1444000    
 H    1.020300     -0.2149000       1.394100    
 H    3.601800      -1.188500      5.4800000E-02
 H    3.496900      5.8699999E-02   1.293600    
 H  -0.4153000     -7.0200004E-02  -1.313400    
 H  -0.4355000       1.189600     -9.1499999E-02
 H    4.561700       1.695100     -0.2957000    
 H    4.715900      0.4092000      -1.488800    
 H   -1.496400     -0.4850000       1.560400    
 H    6.841000      0.7541000     -0.2814000    
 H    6.202200     -0.8612000      7.3899999E-02
 H    6.044600      0.4392000       1.270800    
 H   -4.397900       1.862700      -1.066900    
 H   -4.296700       2.857100      0.4032000    
 H   -5.122500       1.284600      0.4767000    


%chk=000095579-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000095579

0 1
Br -1.749651 -2.069825 0.587194
O -3.746966 0.767973 0.763595
O -2.947906 0.659242 -1.426308
C 2.324501 0.344068 -0.410814
C 1.074588 -0.096290 0.384546
C 3.649058 -0.082481 0.260753
C -0.237285 0.330612 -0.304968
C 4.902372 0.350917 -0.533637
C -1.508763 -0.026323 0.466979
C 6.222097 -0.081677 0.140897
C -2.779982 0.485958 -0.199003
C -5.058557 1.224883 0.239515
H 2.277211 -0.086095 -1.432818
H 2.316419 1.447256 -0.536418
H 1.084438 -1.196740 0.506911
H 1.116569 0.336364 1.406131
H 3.658986 -1.185434 0.385453
H 3.698867 0.346192 1.283742
H -0.303619 -0.087604 -1.325806
H -0.242182 1.436285 -0.424278
H 4.892600 1.453294 -0.657071
H 4.850712 -0.076428 -1.555947
H -1.480100 0.275358 1.525462
H 7.101956 0.239338 -0.446563
H 6.270273 -1.181863 0.247952
H 6.313014 0.357073 1.152637
H -4.932108 2.145546 -0.354362
H -5.669369 1.406457 1.134187
H -5.502872 0.439743 -0.394863


