%chk=000134352.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000134352

0 1
 Br  -5.105900      -1.589800     -0.5289000    
 S   0.4257000       1.547700      0.3909000    
 O   0.5697000       2.495300     -0.7046000    
 O   0.4297000       2.023700       1.766300    
 O    2.804000       1.181000      -1.560000    
 O    3.057000      -2.787000      0.7304000    
 N    1.537700      0.2904000      0.2157000    
 N    3.186200     -0.9199000     -0.6459000    
 C    1.549900     -0.9131000       1.078800    
 C   -1.097500      0.6829000      0.1373000    
 C    2.555800      0.2798000     -0.7743000    
 C    2.676300      -1.674900      0.3887000    
 C   -2.042300      0.6729000       1.147300    
 C   -1.312200      3.4600001E-02  -1.065600    
 C   -3.242900     -8.6000003E-03  0.9476000    
 C   -2.512900     -0.6467000      -1.265200    
 C   -3.478100     -0.6684000     -0.2586000    
 H   0.6225000      -1.482600       1.010600    
 H    1.832000     -0.6680000       2.103900    
 H    3.955400      -1.220000      -1.234100    
 H   -1.885200       1.179600       2.093800    
 H  -0.5692000      4.6200000E-02  -1.857300    
 H   -3.985100     -1.5400000E-02   1.741700    
 H   -2.680800      -1.155100      -2.211100    


%chk=000134352-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000134352

0 1
Br -5.479071 -1.220952 -1.261739
S 0.283767 1.347325 0.630166
O 0.695845 2.565713 -0.345745
O 0.257955 1.526219 2.243116
O 1.345538 -0.374091 -1.928582
O 4.489699 -1.877369 1.253250
N 1.523928 -0.061459 0.435799
N 3.089152 -1.312007 -0.579734
C 2.480924 -0.396541 1.503690
C -1.339088 0.577612 0.067356
C 1.908372 -0.543424 -0.824162
C 3.503346 -1.292402 0.759441
C -2.206286 0.118215 1.071208
C -1.624617 0.541804 -1.306522
C -3.448587 -0.420680 0.668296
C -2.869485 0.000945 -1.698661
C -3.760032 -0.473012 -0.708919
H 2.011165 -0.951100 2.332956
H 2.988232 0.491481 1.922046
H 3.566156 -1.820697 -1.326265
H -1.932398 0.193786 2.128218
H -0.904179 0.903731 -2.045155
H -4.157405 -0.787029 1.415360
H -3.133130 -0.051469 -2.758019


