%chk=000044087.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044087

0 1
 Br  -4.702600      -1.904000     -0.2602000    
 O  -0.7569000      0.5595000     -3.0000001E-04
 O   -2.998900     -4.0700000E-02   1.543000    
 O   0.5169000       2.389100     -0.5738000    
 C   -3.145600      0.4466000      0.2074000    
 C   -1.946200       1.333600     -0.1140000    
 C   -3.204100     -0.7444000     -0.7361000    
 C    1.568100      0.3005000     -0.1075000    
 C   0.4077000       1.214400     -0.2585000    
 C    2.781600      0.8236000      0.2897000    
 C    1.396800      -1.043600     -0.3687000    
 C    3.871700     -3.4899998E-02  0.4318000    
 C    2.487100      -1.902100     -0.2265000    
 C    3.724400      -1.397700      0.1737000    
 H   -4.070400       1.031400      0.1641000    
 H   -2.032800       1.739000      -1.128600    
 H   -1.897300       2.157900      0.6073000    
 H   -2.325300      -1.390900     -0.6586000    
 H   -3.353600     -0.4431000      -1.776100    
 H    2.907800       1.882100      0.4968000    
 H   0.4482000      -1.459400     -0.6946000    
 H   -2.159200     -0.5293000       1.591200    
 H    4.835100      0.3575000      0.7441000    
 H    2.373600      -2.962800     -0.4303000    
 H    4.573400      -2.066000      0.2838000    


%chk=000044087-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000044087

0 1
Br -4.962235 -1.722359 -0.963105
O -0.807606 0.480476 0.062498
O -3.194604 -0.280077 1.477895
O 0.465901 2.416185 -0.153037
C -3.223033 0.383791 0.175016
C -2.026650 1.339381 0.029151
C -3.282606 -0.601178 -1.005460
C 1.590570 0.254214 0.021558
C 0.417361 1.168902 -0.033248
C 2.883956 0.836784 -0.042176
C 1.453436 -1.154386 0.132379
C 4.029551 0.017412 0.006216
C 2.603196 -1.970188 0.179679
C 3.891424 -1.387037 0.117428
H -4.145111 0.990570 0.196326
H -2.044100 1.912266 -0.915489
H -1.991470 2.042654 0.878542
H -2.445894 -1.315720 -0.994776
H -3.319156 -0.070728 -1.970327
H 2.965893 1.925328 -0.127910
H 0.454740 -1.597378 0.177530
H -2.320499 -0.740504 1.573281
H 5.026195 0.468543 -0.042185
H 2.497876 -3.056998 0.264413
H 4.782365 -2.023654 0.154903


