%chk=000099367.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000099367

0 1
 Br  -6.364600      -1.146500      0.2754000    
 S   -1.214900      0.9071000     -0.1334000    
 O   -1.628200       1.802700      -1.195900    
 O   -1.242600       1.336400       1.251600    
 N   0.3326000      0.2869000     -0.4591000    
 C    1.523500       1.044500      2.3700001E-02
 C    3.245000      -1.063200     -7.2200000E-02
 C    2.815600      0.3721000     -0.5117000    
 C    1.439100       1.149100       1.545000    
 C    1.421100       2.458600     -0.5784000    
 C    3.983500      -1.088900       1.272800    
 C    4.102600      -1.762100      -1.142900    
 C    1.950900      -1.898900      8.4100001E-02
 C   -2.196700     -0.5709000     -0.2508000    
 C   -3.667200     -0.2816000      6.6999998E-03
 C   -4.499600      -1.545400     -0.1150000    
 H    2.732300      0.3591000      -1.609200    
 H    3.664600       1.040100     -0.3064000    
 H   0.4557000     -4.9699999E-02  -1.424300    
 H   0.8434000       2.000100       1.889500    
 H    2.436900       1.347400       1.954800    
 H    1.062000      0.2439000       2.029100    
 H    1.319000       2.421000      -1.669400    
 H   0.5763000       3.035100     -0.1876000    
 H    2.323400       3.038700     -0.3508000    
 H    4.311500      -2.104100       1.524800    
 H    4.875300     -0.4536000       1.238500    
 H    3.355900     -0.7431000       2.098000    
 H    5.030900      -1.206100      -1.314400    
 H    3.571800      -1.827400      -2.099400    
 H    4.373200      -2.780400     -0.8420000    
 H    1.381500      -1.955300     -0.8492000    
 H    1.309800      -1.575600      0.9055000    
 H    2.215300      -2.937700      0.3263000    
 H   -2.054300     -0.9764000      -1.257800    
 H   -1.806300      -1.283100      0.4834000    
 H   -4.029300      0.4740000     -0.7016000    
 H   -3.787800      0.1543000       1.006500    
 H   -4.189400      -2.311000      0.6016000    
 H   -4.471800      -1.958800      -1.126900    


%chk=000099367-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000099367

0 1
Br -6.393835 -1.167514 0.792063
S -1.345169 1.032402 -0.847027
O -1.854670 1.071916 -2.396555
O -1.577626 2.319032 0.136088
N 0.436586 0.406462 -0.936468
C 1.481379 1.032373 -0.039407
C 3.200700 -1.144454 -0.131697
C 2.832367 0.343075 -0.462469
C 1.079644 0.806518 1.434527
C 1.635215 2.558945 -0.312352
C 3.600482 -1.328048 1.359995
C 4.458199 -1.471670 -0.992955
C 2.083175 -2.153627 -0.502077
C -2.186830 -0.480521 0.007881
C -3.702081 -0.239692 0.051749
C -4.386093 -1.448027 0.707451
H 2.916280 0.471028 -1.564031
H 3.631743 0.981231 -0.031131
H 0.654796 0.584138 -1.940566
H 0.209334 1.436367 1.692552
H 1.912011 1.088710 2.101131
H 0.828555 -0.250665 1.624678
H 1.960611 2.742531 -1.354247
H 0.678164 3.081193 -0.141919
H 2.395203 2.994427 0.361830
H 3.995608 -2.349044 1.520535
H 4.393361 -0.612175 1.650383
H 2.749533 -1.190421 2.046274
H 5.283288 -0.763793 -0.784397
H 4.227722 -1.419441 -2.073882
H 4.823851 -2.491783 -0.772599
H 1.793295 -2.059768 -1.564566
H 1.171238 -1.997139 0.098414
H 2.440629 -3.187932 -0.332896
H -1.876230 -1.329415 -0.621501
H -1.706369 -0.519645 0.998559
H -4.088816 -0.097477 -0.973359
H -3.921516 0.678011 0.626028
H -4.078449 -1.597932 1.754191
H -4.255287 -2.376877 0.130671


