%chk=000041498.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041498

0 1
 Br  -6.998700       1.771500       1.442000    
 O   -3.635800      0.4661000     -0.4300000    
 O    6.672800      0.8100000      0.1413000    
 O   -4.302700      0.4896000       1.774900    
 C  -0.6052000      -1.600900     -0.6938000    
 C   -1.548600     -0.5245000      -1.284800    
 C   0.5768000      -1.032700      0.1394000    
 C    1.313800      0.1179000     -0.5897000    
 C  -0.8026000      0.6916000      -1.853000    
 C   -2.426000     -0.1739000     -6.4700000E-02
 C   -1.555400      -2.445600      0.1834000    
 C   0.3130000       1.222500     -0.9616000    
 C    2.501900      0.6764000      0.2585000    
 C   -2.686300      -1.512300      0.6259000    
 C    1.585200      -2.147700      0.4782000    
 C   -2.404100      -1.114900      -2.433300    
 C    2.703500      -1.626500       1.370700    
 C    3.403200     -0.4429000      0.7573000    
 C    3.293700       1.728100     -0.5483000    
 C    4.632900       2.067000      8.3099999E-02
 C    4.744500     -0.4066000      0.7134000    
 C    5.450600      0.8162000      0.2685000    
 C   -4.505100      0.7494000      0.5973000    
 C   -5.721400       1.422200      2.5100000E-02
 H  -0.1900000      -2.223400      -1.497100    
 H   0.1820000     -0.6374000       1.086300    
 H    1.728200     -0.2888000      -1.524700    
 H   -1.510700       1.503800      -2.060700    
 H  -0.3548000      0.4220000      -2.819400    
 H   -1.881600      0.4862000      0.6214000    
 H   -1.069200      -2.906400       1.047300    
 H   -1.975600      -3.265600     -0.4117000    
 H   0.8122000       2.027200      -1.511300    
 H  -0.1030000       1.677900     -5.5700000E-02
 H    2.089000       1.171800       1.149000    
 H   -3.660500      -1.941000      0.3634000    
 H   -2.665800      -1.401200       1.715800    
 H    2.011000      -2.560500     -0.4458000    
 H    1.093700      -2.978600      0.9942000    
 H   -1.764500      -1.494400      -3.238400    
 H   -3.038900      -1.943200      -2.103700    
 H   -3.061700     -0.3533000      -2.867700    
 H    3.404900      -2.444500       1.575300    
 H    2.285900      -1.322500       2.339000    
 H    2.713000       2.652700     -0.6381000    
 H    3.466700       1.357900      -1.567900    
 H    4.503700       2.548900       1.058200    
 H    5.181400       2.752800     -0.5714000    
 H    5.357000      -1.229900       1.064200    
 H   -6.217800      0.7705000     -0.6966000    
 H   -5.456700       2.385800     -0.4144000    


%chk=000041498-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000041498

0 1
Br -6.713813 2.756003 1.235058
O -3.734946 0.331296 -0.405859
O 6.734245 1.066865 0.292434
O -3.982919 1.177449 1.761529
C -0.601841 -1.701642 -0.703660
C -1.595754 -0.624474 -1.266719
C 0.595599 -1.122637 0.115182
C 1.274030 0.091527 -0.575435
C -0.894611 0.652331 -1.794379
C -2.466525 -0.359830 -0.009472
C -1.511903 -2.620625 0.185407
C 0.224835 1.186741 -0.878903
C 2.472214 0.662119 0.265684
C -2.724825 -1.740430 0.636244
C 1.646162 -2.227334 0.376190
C -2.450263 -1.235693 -2.408401
C 2.798344 -1.707258 1.266327
C 3.428900 -0.440497 0.720951
C 3.219558 1.778591 -0.511607
C 4.554916 2.183273 0.147542
C 4.792382 -0.292295 0.690203
C 5.469609 0.975807 0.350704
C -4.383106 1.065690 0.587997
C -5.628530 1.679029 -0.048152
H -0.175740 -2.274419 -1.552669
H 0.212193 -0.774382 1.101916
H 1.692413 -0.264180 -1.545155
H -1.659776 1.436210 -1.963471
H -0.457490 0.425266 -2.788386
H -1.953361 0.311188 0.703177
H -0.954669 -3.012301 1.054304
H -1.861947 -3.497238 -0.387683
H 0.697219 2.054520 -1.374474
H -0.192225 1.563309 0.078992
H 2.028053 1.107716 1.188137
H -3.678193 -2.149982 0.256236
H -2.814808 -1.660485 1.731938
H 2.053541 -2.571779 -0.596571
H 1.181092 -3.107414 0.859242
H -1.795263 -1.531737 -3.248740
H -3.010114 -2.130633 -2.084036
H -3.182934 -0.500804 -2.784834
H 3.569603 -2.485760 1.410992
H 2.380706 -1.482444 2.272479
H 2.577070 2.672370 -0.603018
H 3.419884 1.416702 -1.540762
H 4.363000 2.629756 1.146007
H 5.092767 2.942422 -0.446848
H 5.450321 -1.120618 0.984373
H -6.283208 0.885798 -0.439698
H -5.341995 2.351711 -0.871011


