%chk=000055295.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000055295

0 1
 Br   6.483800      -1.043600      5.0400000E-02
 S   0.8627000      -1.445500      0.7469000    
 O   -4.000200     -0.5061000     -0.3612000    
 O   -2.054200       2.038000     -0.4157000    
 O   -4.316900       1.219500       1.163200    
 N   0.7437000      0.9395000     -0.2279000    
 N   -1.344100     -8.4100001E-02  0.3927000    
 C    2.349100     -0.6964000      0.2975000    
 C    2.083600      0.5808000     -0.2058000    
 C   1.7200001E-02 -4.4900000E-02  0.2473000    
 C    3.656000      -1.202600      0.3838000    
 C    3.166400       1.377600     -0.6372000    
 C    4.709400     -0.3937000     -5.0099999E-02
 C    4.470100      0.8799000     -0.5543000    
 C   -2.239100      0.9302000      5.9000000E-02
 C   -5.347100     -0.9558000     -0.1894000    
 C   -3.659600      0.5691000      0.3744000    
 C   -5.580700      -2.162000      -1.073800    
 H    3.835200      -2.198700      0.7787000    
 H    2.990600       2.374000      -1.032700    
 H    5.290800       1.508500     -0.8918000    
 H   -1.714700     -0.9449000      0.7873000    
 H   -5.510500      -1.228200      0.8594000    
 H   -6.039000     -0.1528000     -0.4676000    
 H   -6.603800      -2.533200     -0.9669000    
 H   -5.404100      -1.909500      -2.124500    
 H   -4.883800      -2.967300     -0.8191000    


%chk=000055295-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000055295

0 1
Br 6.490916 -1.256460 -0.205712
S 0.705935 -1.668215 -0.271190
O -3.967884 -0.490514 -0.171629
O -1.880551 2.430007 0.075350
O -4.701916 1.724141 0.008108
N 0.769472 1.042381 -0.012967
N -1.462634 0.098753 -0.113715
C 2.298081 -0.810404 -0.181833
C 2.105424 0.607465 -0.048366
C -0.073775 0.047271 -0.111555
C 3.581879 -1.383569 -0.230323
C 3.233048 1.456038 0.037303
C 4.680631 -0.503040 -0.141975
C 4.526163 0.899141 -0.009569
C -2.270997 1.248814 -0.022406
C -5.389407 -0.974534 -0.216836
C -3.781106 0.893755 -0.057071
C -5.343406 -2.491343 -0.352959
H 3.733123 -2.460578 -0.331861
H 3.083625 2.534284 0.138529
H 5.406670 1.543682 0.055442
H -1.985158 -0.782251 -0.189033
H -5.884543 -0.641591 0.712552
H -5.883083 -0.480903 -1.072657
H -6.374150 -2.888052 -0.387695
H -4.828599 -2.793187 -1.281010
H -4.826958 -2.953290 0.505678


