%chk=000041538.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041538

0 1
 Br -0.8187000      -1.402300       2.876300    
 Br -0.5700000      -2.806100      4.5299999E-02
 O   -2.001500      0.9924000     -0.4750000    
 O   -4.085800       1.983000     -0.6263000    
 O    3.011500      0.6695000      -1.340900    
 C   -4.967000     -0.9671000     -0.4667000    
 C   -3.569800      -1.497400     -0.3310000    
 C   -3.839200     -0.3029000      -1.189300    
 C   -5.568300     -0.3037000      0.7266000    
 C   -5.964600      -1.706600      -1.295100    
 C   -2.825800      -1.304800      0.9048000    
 C   -3.340100       1.020200     -0.7350000    
 C   -1.602400      -1.768700       1.212500    
 C   -1.433500       2.221700     -3.2600001E-02
 C   2.9700000E-02   2.096900      0.2264000    
 C   0.8459000       1.432900     -0.6894000    
 C   0.5824000       2.644900       1.384000    
 C    2.214700       1.316700     -0.4474000    
 C    1.951000       2.528700       1.626000    
 C    2.767200       1.864800      0.7102000    
 C    3.941000     -0.2281000     -0.8425000    
 C    3.553700      -1.124800      0.1367000    
 C    5.232700     -0.2038000      -1.336600    
 C    4.490200      -2.028300      0.6392000    
 C    6.169000      -1.107400     -0.8342000    
 C    5.797700      -2.019600      0.1538000    
 H   -3.379400      -2.438400     -0.8390000    
 H   -3.779000     -0.4479000      -2.263700    
 H   -5.854100      -1.054200       1.472700    
 H   -4.944100      0.4410000       1.227500    
 H   -6.484400      0.2253000      0.4369000    
 H   -5.497400      -2.227400      -2.138500    
 H   -6.483800      -2.458800     -0.6917000    
 H   -6.713200      -1.019700      -1.704100    
 H   -3.304500     -0.7361000       1.697300    
 H   -1.589100       2.992700     -0.7975000    
 H   -1.954600       2.532200      0.8816000    
 H   0.4255000       1.006500      -1.597000    
 H  -4.0399998E-02   3.166900       2.105500    
 H    2.382000       2.960100       2.524800    
 H    3.833400       1.810600      0.9136000    
 H    2.536900      -1.166300      0.5155000    
 H    5.523000      0.5060000      -2.105200    
 H    4.199800      -2.741900       1.404800    
 H    7.187200      -1.100800      -1.212100    
 H    6.526600      -2.723900      0.5440000    


%chk=000041538-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000041538

0 1
Br -7.759035 -0.156833 3.605229
Br -6.783762 -3.215281 2.934658
O -1.572519 0.455401 0.979270
O -3.710551 1.387823 0.973527
O 2.898291 0.624151 -1.367151
C -4.477045 -1.263329 -0.636885
C -4.737704 -1.585547 0.850220
C -3.354754 -0.984172 0.408277
C -5.211723 -0.111087 -1.317601
C -4.227022 -2.464341 -1.550268
C -5.677838 -0.795928 1.678571
C -2.960565 0.390221 0.802897
C -6.565661 -1.304548 2.567076
C -1.030635 1.788689 1.378608
C 0.467174 1.779410 1.170642
C 1.036828 1.152904 0.038832
C 1.306261 2.451250 2.093947
C 2.430718 1.207827 -0.163780
C 2.700045 2.512108 1.868988
C 3.277169 1.894605 0.738900
C 4.191899 0.046961 -1.453422
C 4.781092 -0.680500 -0.392669
C 4.828222 0.149000 -2.709798
C 6.034397 -1.298757 -0.600954
C 6.078141 -0.478485 -2.903834
C 6.689044 -1.200201 -1.851119
H -4.680657 -2.648512 1.109478
H -2.517052 -1.686693 0.411348
H -6.242087 -0.422979 -1.570118
H -5.264277 0.793150 -0.691541
H -4.698728 0.159838 -2.258981
H -3.713564 -3.287395 -1.020494
H -5.186187 -2.856235 -1.937182
H -3.602905 -2.173611 -2.415766
H -5.641307 0.296122 1.572809
H -1.535851 2.557169 0.763015
H -1.295849 1.973000 2.434957
H 0.413053 0.611555 -0.677557
H 0.874566 2.927300 2.981902
H 3.344205 3.043837 2.577568
H 4.354883 1.951028 0.559201
H 4.267164 -0.773075 0.569175
H 4.336527 0.711237 -3.509274
H 6.493593 -1.866470 0.215974
H 6.574863 -0.400888 -3.877176
H 7.659541 -1.683716 -2.004300


