%chk=000090371.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000090371

0 1
 Br   4.102800      0.1548000      0.7568000    
 S   0.1109000       2.252700     -0.1868000    
 O    1.866800      -1.632500      -1.297700    
 O   -2.774100      -1.512800     -0.2400000    
 O   -1.057100      -2.134700       1.124400    
 N   0.5637000     -0.2813000      0.1328000    
 C    1.157200      0.9746000      0.6011000    
 C   -1.376200       1.133200     -0.1170000    
 C  -0.7894000     -0.2694000     -0.3850000    
 C    2.436900      0.5727000     -0.1448000    
 C    1.666100     -0.6977000     -0.5559000    
 C   -2.027100       1.298200       1.263100    
 C   -2.360500       1.544800      -1.213300    
 C   -1.519900      -1.402500      0.2623000    
 H    1.222700       1.024700       1.691900    
 H  -0.7259000     -0.4834000      -1.460400    
 H    2.659700       1.201000      -1.016900    
 H   -1.365300      0.9766000       2.075100    
 H   -2.306100       2.341900       1.451800    
 H   -2.947600      0.7091000       1.340600    
 H   -2.706200       2.576200      -1.076100    
 H   -1.912600       1.472800      -2.211200    
 H   -3.249100      0.9046000      -1.207900    
 H   -3.270700      -2.250900      0.1731000    


%chk=000090371-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000090371

0 1
Br 4.103877 0.114020 0.967944
S 0.161381 2.321876 -0.179960
O 1.931349 -1.523873 -1.630973
O -2.771394 -1.694593 -0.319891
O -1.332946 -1.886360 1.501244
N 0.601847 -0.312966 0.010334
C 1.208549 0.925131 0.572685
C -1.396535 1.145465 -0.111029
C -0.810183 -0.319135 -0.367190
C 2.527837 0.562860 -0.183161
C 1.738895 -0.647594 -0.776493
C -2.042011 1.292992 1.283638
C -2.363422 1.553738 -1.235857
C -1.610783 -1.376412 0.401821
H 1.252205 0.993512 1.667303
H -0.894758 -0.556427 -1.444005
H 2.876103 1.294267 -0.925714
H -1.359486 0.981869 2.092954
H -2.321155 2.345961 1.452915
H -2.961533 0.680378 1.353106
H -2.760402 2.569085 -1.061653
H -1.866429 1.538188 -2.221143
H -3.216716 0.851256 -1.263649
H -3.295291 -2.380537 0.176776


