%chk=000126898.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126898

0 1
 Br  -5.643100       2.373700      0.9734000    
 O    2.010000     -0.7559000      0.4458000    
 O  -2.1500001E-02  0.3933000      0.4822000    
 O    4.042200       2.714700     -0.5300000    
 O    4.355100      0.6383000       1.291900    
 O    1.186500       2.528600     -0.9494000    
 O    3.127600      -3.263800      0.4110000    
 N   -2.091300      -2.150500     -0.7733000    
 C    3.349600       1.486700     -0.7366000    
 C    4.114100      0.3347000     -8.3499998E-02
 C    1.937600       1.603400     -0.1635000    
 C    3.287400     -0.9527000     -0.1732000    
 C    1.226000      0.2489000     -0.1960000    
 C    3.959800      -2.124100      0.5329000    
 C   -1.043800     -0.4116000      6.0600001E-02
 C   -2.420000     -0.1218000      9.4999999E-02
 C   -3.066900      -1.238600     -0.4387000    
 C  -0.8534000      -1.650400     -0.4701000    
 C   -3.197700      0.9724000      0.5228000    
 C   -4.458300      -1.315900     -0.5666000    
 C   -4.590700      0.9090000      0.4010000    
 C   -5.209100     -0.2185000     -0.1356000    
 H    3.299600       1.327200      -1.820900    
 H    5.093400      0.2134000     -0.5583000    
 H    1.969000       2.008800      0.8550000    
 H    3.113500      -1.226800      -1.222200    
 H    1.053700     -2.5599999E-02  -1.247400    
 H    4.097800      -1.934800       1.602200    
 H    4.932200      -2.351600      8.6499996E-02
 H    3.514700       3.419900     -0.9427000    
 H    3.507300      0.6023000       1.765900    
 H   0.2881000       2.563400     -0.5783000    
 H   2.8200001E-02  -2.244900     -0.6647000    
 H    2.265500      -3.041900      0.8026000    
 H   -2.264900      -3.058400      -1.182000    
 H   -2.712300       1.850400      0.9406000    
 H   -4.940500      -2.193300     -0.9843000    
 H   -6.292200     -0.2633000     -0.2282000    


%chk=000126898-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000126898

0 1
Br -5.720747 2.266389 1.133225
O 1.910770 -0.632490 0.373458
O -0.067193 0.633613 0.121591
O 4.291147 2.728168 -0.456530
O 4.242798 0.571080 1.549582
O 1.528045 2.787553 -1.150736
O 2.736913 -3.256369 0.365346
N -2.080993 -2.262120 -0.811563
C 3.504259 1.525780 -0.667542
C 4.138029 0.344042 0.107938
C 2.032878 1.743513 -0.254188
C 3.277258 -0.912591 -0.173970
C 1.249270 0.431490 -0.410659
C 3.734741 -2.194356 0.531870
C -1.018391 -0.363356 -0.176708
C -2.433434 -0.152014 0.001601
C -3.079676 -1.372119 -0.408852
C -0.820161 -1.656272 -0.664108
C -3.208849 0.943027 0.464005
C -4.484110 -1.517093 -0.364627
C -4.600330 0.776849 0.498674
C -5.247206 -0.426124 0.095176
H 3.498023 1.254255 -1.750241
H 5.179435 0.207610 -0.230404
H 1.972658 2.070057 0.804652
H 3.189758 -1.098335 -1.266344
H 1.193340 0.113720 -1.478450
H 3.935686 -1.984415 1.600539
H 4.657478 -2.574276 0.063456
H 3.791770 3.480155 -0.870781
H 3.326797 0.518119 1.932319
H 0.612633 3.040102 -0.869738
H 0.100581 -2.188481 -0.889893
H 1.893290 -2.920000 0.766197
H -2.231396 -3.210300 -1.147375
H -2.735532 1.873730 0.786210
H -4.979360 -2.443242 -0.674201
H -6.336980 -0.500596 0.144969


