%chk=000063331.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063331

0 1
 Br  -5.633600     -0.5788000      -2.574100    
 Br  -6.237100     -0.9411000       3.043900    
 S    3.805800       2.796600       1.374000    
 S    1.090900       1.438400       1.146700    
 O    5.598600       1.345400     -0.6945000    
 O   -1.338900       1.111600       1.944800    
 N   -1.065500       1.199300     -0.3942000    
 N    4.409600      -1.792000      0.8213000    
 N   -2.830100      0.4850000      -1.804900    
 N   0.7846000       2.647200      -1.091600    
 N    2.024800       3.041600     -0.6207000    
 C    4.709100      0.5296000      6.6500001E-02
 C    5.286500     -0.8881000      0.1122000    
 C    4.499300       1.124100       1.462100    
 C   -3.102100      0.3476000      0.6253000    
 C   -3.594800      0.1835000     -0.6712000    
 C   -1.628300      0.9489000      -1.644000    
 C   -1.743600      0.9051000      0.8034000    
 C   0.1987000       1.814900     -0.2649000    
 C    3.293000      -2.381900      0.2529000    
 C   -3.886300      1.4600000E-02   1.736100    
 C   -4.888800     -0.3217000     -0.8438000    
 C  -0.8224000       1.157000      -2.909800    
 C    2.306500       2.484100      0.5376000    
 C   -5.172900     -0.4884000       1.548700    
 C   -5.674700     -0.6555000      0.2601000    
 C    2.941900      -2.125100      -1.086200    
 C    2.477900      -3.254600      0.9986000    
 C    1.816800      -2.718800      -1.658400    
 C    1.352900      -3.848400      0.4262000    
 C    1.022400      -3.580400     -0.9022000    
 H    3.761100      0.5077000     -0.4785000    
 H    5.546400      -1.257300     -0.8874000    
 H    6.247000     -0.8551000      0.6434000    
 H    3.855000      0.4950000       2.083400    
 H    5.464000       1.214500       1.973400    
 H    4.609200      -1.988500       1.795700    
 H   -3.499800      0.1469000       2.743800    
 H  -0.7516000       2.226500      -3.126200    
 H   -1.315000      0.6697000      -3.757000    
 H   0.1796000      0.7321000      -2.805800    
 H    5.666200      0.9576000      -1.583700    
 H   -6.679300      -1.047800      0.1170000    
 H    3.526900      -1.466900      -1.721400    
 H    2.720500      -3.473900       2.036100    
 H    1.558600      -2.510300      -2.692500    
 H   0.7336000      -4.518800       1.015000    
 H   0.1459000      -4.041900      -1.347500    


%chk=000063331-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000063331

0 1
Br -5.300118 -1.638542 -2.345802
Br -6.586310 -0.609587 3.194573
S 4.106508 3.033640 0.685431
S 1.526549 1.123911 0.898339
O 6.366279 0.873192 -0.517266
O -1.525640 1.501331 2.094873
N -1.104129 1.081951 -0.182154
N 4.000665 -1.678346 0.958003
N -2.653506 -0.126766 -1.568833
N 0.376497 2.917127 -0.726076
N 1.689333 3.373412 -0.555717
C 5.087935 0.412850 0.048842
C 5.250835 -1.069203 0.512198
C 4.777794 1.341510 1.226588
C -3.212101 0.315824 0.805637
C -3.531310 -0.221838 -0.483833
C -1.498667 0.494550 -1.424107
C -1.923616 1.006515 1.007314
C 0.125580 1.782255 -0.078361
C 2.985392 -2.132226 0.101914
C -4.102637 0.208194 1.902453
C -4.792011 -0.878195 -0.627973
C -0.542583 0.583148 -2.582087
C 2.420775 2.592320 0.246868
C -5.326501 -0.442383 1.708478
C -5.685307 -0.990285 0.450093
C 3.101322 -2.068475 -1.317861
C 1.788210 -2.671152 0.661704
C 2.046039 -2.523311 -2.139201
C 0.743338 -3.117276 -0.169837
C 0.857147 -3.044474 -1.580275
H 4.272191 0.458926 -0.700199
H 5.695765 -1.639131 -0.327653
H 5.986434 -1.103225 1.336295
H 4.062620 0.894850 1.936676
H 5.715044 1.587059 1.754196
H 3.876013 -1.845914 1.955151
H -3.809281 0.638120 2.863909
H -0.363417 1.631427 -2.876249
H -0.984880 0.034448 -3.424877
H 0.434040 0.131265 -2.327173
H 6.334369 0.868528 -1.504245
H -6.645616 -1.494619 0.318511
H 4.012378 -1.681742 -1.786359
H 1.682272 -2.732359 1.752676
H 2.159900 -2.472340 -3.228590
H -0.166493 -3.525755 0.284826
H 0.041401 -3.390005 -2.223123


