%chk=000027450.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000027450

0 1
 Br  -5.296400       1.237200      0.3060000    
 Br  -2.527700      -3.701900     -6.1700001E-02
 O    3.374300      -1.082900      3.2600001E-02
 O   0.1778000       2.020400      0.4251000    
 O   -2.402400       2.339800      9.3999997E-02
 N    1.013000      0.2903000     -0.8725000    
 C    3.252600      0.3485000      8.6999997E-02
 C    4.666600      0.8970000      2.3000001E-03
 C    5.445700     -0.1672000      0.7336000    
 C    4.743200      -1.431900      0.2871000    
 C    2.348300      0.8314000      -1.030300    
 C   3.2200001E-02  0.9436000     -0.1475000    
 C   -1.275900      0.2451000     -5.7900000E-02
 C   -2.440900      0.9757000      5.9599999E-02
 C   -1.276400      -1.135400     -9.5399998E-02
 C   -3.657400      0.2985000      0.1431000    
 C   -2.493000      -1.812600     -1.2200000E-02
 C   -3.683500      -1.095600      0.1071000    
 H    2.817300      0.5917000       1.064800    
 H    4.764500       1.890900      0.4475000    
 H    5.005900      0.9512000      -1.039200    
 H    6.514100     -0.1682000      0.5028000    
 H    5.328500     -3.6100000E-02   1.815900    
 H    5.168300      -1.812300     -0.6476000    
 H    4.787800      -2.224700       1.039000    
 H    2.708800      0.4806000      -2.003300    
 H    2.297300       1.925100      -1.046600    
 H   0.8101000     -0.5713000      -1.368100    
 H  -0.3604000      -1.716300     -0.1505000    
 H   -4.631400      -1.625500      0.1719000    
 H   -1.515100       2.668800     -0.1177000    


%chk=000027450-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000027450

0 1
Br -5.513650 1.160893 -0.207329
Br -2.573817 -3.788179 0.530645
O 3.358489 -1.004129 0.290137
O -0.172068 2.297886 -0.589380
O -2.661686 2.287700 -0.497670
N 1.101740 0.383646 -0.361416
C 3.414323 0.488751 0.436265
C 4.879199 0.896666 0.153543
C 5.677849 -0.404058 0.437145
C 4.713928 -1.495257 -0.065839
C 2.380781 1.087090 -0.532849
C -0.107863 1.013013 -0.392965
C -1.360625 0.224299 -0.203535
C -2.609227 0.941973 -0.275505
C -1.363447 -1.176025 0.037379
C -3.820589 0.208619 -0.107864
C -2.578196 -1.854215 0.197685
C -3.817766 -1.175042 0.126608
H 3.119626 0.707595 1.480531
H 5.204570 1.739660 0.784815
H 4.997048 1.193939 -0.905879
H 6.651673 -0.425649 -0.080797
H 5.854717 -0.518778 1.521422
H 4.787820 -1.623735 -1.165248
H 4.845673 -2.473072 0.425710
H 2.740486 0.971189 -1.575202
H 2.214035 2.161578 -0.344808
H 1.188689 -0.626231 -0.222602
H -0.430315 -1.742748 0.106819
H -4.759678 -1.714231 0.252876
H -1.665921 2.610752 -0.583792


