%chk=000100747.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100747

0 1
 Br  -5.830100     -0.1646000      0.7611000    
 S   0.2767000      0.1458000     -0.7022000    
 S    3.559600      0.9576000       1.373700    
 O   0.5853000     -0.9188000      -1.656100    
 O   0.6320000       1.523900      -1.042400    
 N   -1.848600      -1.123400      0.1573000    
 N   -2.118300       1.185400     -0.4781000    
 C    1.134700     -0.2346000      0.8147000    
 C    2.602600     -0.1779000      0.5367000    
 C   -1.399500      6.0600001E-02 -0.3010000    
 C    3.323600     -0.9443000     -0.3373000    
 C    4.704500     -0.5938000     -0.3240000    
 C    4.970900      0.4264000      0.5623000    
 C   -3.162500      -1.154300      0.4626000    
 C   -3.423900       1.083600     -0.1533000    
 C   -4.006900     -7.1599998E-02  0.3261000    
 H   0.8120000      0.4885000       1.570000    
 H   0.8445000      -1.241700       1.129200    
 H    2.912200      -1.735200     -0.9502000    
 H    5.464800      -1.069200     -0.9300000    
 H    5.926900      0.8845000      0.7731000    
 H   -3.517800      -2.111700      0.8307000    
 H   -3.997500       1.993700     -0.2991000    


%chk=000100747-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000100747

0 1
Br -5.863699 -1.074678 0.402395
S 0.318285 0.963113 -0.572226
S 4.021278 1.092228 1.006994
O 0.750958 0.131929 -1.913276
O 0.396089 2.589050 -0.533882
N -1.661927 -0.810136 0.332012
N -2.507286 1.271294 -0.590660
C 1.338139 0.125234 1.084485
C 2.713113 -0.130736 0.704883
C -1.537340 0.419998 -0.215205
C 3.221318 -1.225039 -0.004691
C 4.623721 -1.133247 -0.287475
C 5.205182 0.037172 0.187816
C -2.942747 -1.250319 0.521535
C -3.790039 0.832114 -0.410090
C -4.044213 -0.444227 0.147501
H 1.148825 0.912570 1.827031
H 0.710209 -0.767717 1.214310
H 2.587427 -2.056177 -0.322172
H 5.185907 -1.898312 -0.827084
H 6.242605 0.359958 0.117940
H -3.073449 -2.240377 0.967745
H -4.597157 1.505206 -0.714085


