%chk=000130856.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000130856

0 1
 Br  -5.267800      0.6210000      0.3376000    
 S   0.9587000     -0.9090000     -0.5449000    
 O   -1.368100      -2.814200      1.9500000E-02
 O    4.604200     -0.6688000      -1.102200    
 O   -2.841000       2.495600     -0.2397000    
 O    3.786400       1.438200     -0.9081000    
 N    3.843200      0.6244000       1.920400    
 C    3.258400     -0.1585000      0.8300000    
 C    1.739100      2.0500001E-02  0.8132000    
 C  -0.7658000     -0.5047000     -0.2986000    
 C   -1.713600      -1.496600     -4.8400000E-02
 C   -1.154400      0.8329000     -0.3608000    
 C    3.905800      0.3028000     -0.4623000    
 C   -2.492500       1.179200     -0.1728000    
 C   -3.051600      -1.150300      0.1396000    
 C   -3.441100      0.1876000      7.7500001E-02
 H    3.503700      -1.214900      0.9952000    
 H    1.307800     -0.3243000       1.760100    
 H    1.492300       1.082100      0.7004000    
 H  -0.4258000       1.613300     -0.5682000    
 H    4.839400      0.4196000       1.991700    
 H    3.430900      0.3366000       2.807100    
 H   -3.782900      -1.931500      0.3341000    
 H  -0.4093000      -2.885000     -0.1295000    
 H    4.996900     -0.3453000      -1.940800    
 H   -2.048000       3.029100     -0.4193000    


%chk=000130856-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000130856

0 1
Br -5.034420 1.306171 -0.088355
S 0.878750 -1.632466 -0.204323
O -1.782666 -2.784121 0.841389
O 4.528629 1.068884 -0.821334
O -2.363394 2.491856 -1.062127
O 2.245245 1.465552 -0.771526
N 4.085196 0.101337 1.779745
C 3.253763 -0.341701 0.641303
C 1.839467 -0.676685 1.144722
C -0.750124 -0.769485 -0.156563
C -1.872682 -1.481992 0.344400
C -0.897150 0.550140 -0.632842
C 3.227531 0.808964 -0.373644
C -2.161894 1.180586 -0.611154
C -3.142449 -0.857615 0.356711
C -3.279332 0.458541 -0.116196
H 3.668446 -1.227916 0.099611
H 1.893219 -1.318646 2.039097
H 1.269363 0.235057 1.374171
H -0.012363 1.083007 -1.000442
H 5.005842 0.459235 1.508351
H 4.123085 -0.568082 2.553440
H -4.000197 -1.413127 0.742895
H -0.828165 -3.076278 0.777518
H 4.522310 1.832351 -1.460119
H -1.511111 2.886233 -1.373929


