%chk=000128987.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128987

0 1
 Br  -3.936600       3.918700      0.6882000    
 O    1.900100      5.6200001E-02 -0.8926000    
 O    3.663800      0.6060000       2.184600    
 O    3.512900       2.079400      -1.998900    
 O  -0.1932000      -3.390400     -1.2900000E-02
 O   -4.079800     -0.9519000     -0.3251000    
 N  -2.1000000E-02  -1.066700     -0.1576000    
 N   -2.123600      -2.162000     -0.1697000    
 C    1.411400      -1.039600     -0.1024000    
 C    3.239700     -0.1104000       1.044000    
 C    1.947800     -0.8474000       1.304300    
 C    2.835000      0.8063000     -9.9299997E-02
 C    4.002800       1.243100     -0.9657000    
 C  -0.7024000      0.1390000     -0.2635000    
 C  -0.7312000      -2.285200     -0.1065000    
 C   -2.034800      0.2534000     -0.3238000    
 C   -2.853100     -0.9874000     -0.2749000    
 C   -2.748500       1.561900     -0.4376000    
 C   -3.089500       2.176900      0.9094000    
 H    1.817400      -1.960300     -0.5383000    
 H    4.022600     -0.8176000      0.7448000    
 H    2.091600      -1.793500       1.835900    
 H    1.278500     -0.2380000       1.925400    
 H    2.308000       1.695100      0.2710000    
 H    4.497000      0.3867000      -1.436200    
 H    4.742200       1.803900     -0.3870000    
 H  -0.1037000       1.043400     -0.2756000    
 H    4.450600       1.118800       1.933400    
 H   -2.656300      -3.026800     -0.1343000    
 H   -3.655300       1.449900      -1.045700    
 H   -2.120300       2.263200      -1.004500    
 H    2.853400       1.570600      -2.501000    
 H   -2.197900       2.348800       1.519800    
 H   -3.796100       1.560600       1.473100    


%chk=000128987-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000128987

0 1
Br -4.485082 3.736648 1.056923
O 2.030293 -0.064514 -0.952605
O 3.621352 0.956578 2.201457
O 3.822636 1.601759 -2.439769
O -0.156528 -3.331018 -0.300694
O -4.129027 -0.872219 -0.481378
N -0.030651 -0.981382 -0.110271
N -2.114777 -2.048765 -0.398807
C 1.445006 -1.036493 0.000981
C 3.324779 0.052526 1.092227
C 1.991629 -0.655425 1.393729
C 3.032791 0.790066 -0.242096
C 4.219710 0.950213 -1.193783
C -0.690748 0.247274 -0.097032
C -0.727948 -2.207518 -0.277255
C -2.054856 0.377574 -0.215286
C -2.868851 -0.839310 -0.370735
C -2.756873 1.721846 -0.221927
C -3.588207 1.912485 1.060499
H 1.726469 -2.058329 -0.301730
H 4.140930 -0.687366 0.943577
H 2.107102 -1.533930 2.046430
H 1.327959 0.069966 1.898121
H 2.572661 1.775726 -0.026225
H 4.672410 -0.047234 -1.384610
H 4.982848 1.614282 -0.749367
H -0.036532 1.119990 -0.022046
H 4.553249 1.283454 2.135312
H -2.649096 -2.916034 -0.517078
H -3.436893 1.779928 -1.090958
H -2.019094 2.538398 -0.315531
H 3.088556 1.065906 -2.837670
H -2.972360 1.902431 1.972535
H -4.411353 1.187187 1.125862


