%chk=000128900.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128900

0 1
 Br  -3.220900       2.566600      0.2476000    
 S    4.243800     -0.2507000       1.892200    
 O    2.451500       1.373600      0.7078000    
 O   -5.240200      0.3116000      0.7095000    
 N    2.416000       1.192400     -0.7381000    
 N  -0.2031000      -1.518900     -0.4823000    
 N    2.699400      -2.593900     -0.9906000    
 C    1.951500     -0.2023000      -1.005400    
 C   0.5002000     -0.3556000     -0.6235000    
 C    2.956100      -1.254500     -0.4387000    
 C  -0.3849000      0.6924000     -0.4494000    
 C   4.8200000E-02   2.112100     -0.5733000    
 C    1.451300       2.206100      -1.216600    
 C   -1.658900      0.1447000     -0.1395000    
 C    3.027600      -1.364000       1.096400    
 C   -1.516500      -1.244800     -0.1656000    
 C    3.806400       1.333100       1.129300    
 C   -2.924100      0.6909000      0.1558000    
 C   -2.581200      -2.116900      8.8500001E-02
 C   -3.996700     -0.1699000      0.4149000    
 C   -3.825500      -1.552000      0.3811000    
 H    1.983500     -0.3093000      -2.100500    
 H    3.953200     -0.9882000     -0.8169000    
 H  -0.6476000       2.678700      -1.199900    
 H   6.6600002E-02   2.572000      0.4218000    
 H    1.358500       2.102200      -2.305900    
 H    1.861100       3.209200      -1.046900    
 H   0.1835000      -2.447500     -0.5816000    
 H    2.048700      -1.213800       1.563500    
 H    3.350800      -2.369100       1.392600    
 H    3.450300      -3.227900     -0.7201000    
 H    2.712400      -2.552400      -2.008800    
 H    4.506800       1.553800      0.3143000    
 H    3.941400       2.114600       1.883200    
 H   -2.449600      -3.193400      6.0600001E-02
 H   -4.667800      -2.209700      0.5836000    
 H   -5.201700       1.283400      0.6951000    


%chk=000128900-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000128900

0 1
Br -3.311776 2.597627 0.154860
S 4.470827 -0.341091 1.683648
O 2.431822 1.386065 0.762378
O -5.284091 0.200182 0.765798
N 2.505888 1.200828 -0.756767
N -0.114550 -1.525239 -0.473545
N 2.402608 -2.615127 -1.027828
C 1.990844 -0.184262 -1.073466
C 0.535334 -0.312577 -0.692909
C 2.930645 -1.300571 -0.529562
C -0.352672 0.754208 -0.530561
C 0.112578 2.186137 -0.662585
C 1.543987 2.237856 -1.274174
C -1.630163 0.170041 -0.174096
C 3.029591 -1.354436 1.014731
C -1.448098 -1.269545 -0.149192
C 3.755575 1.424762 1.314025
C -2.925611 0.657377 0.137319
C -2.497274 -2.162460 0.158118
C -3.984377 -0.221617 0.449869
C -3.761132 -1.630442 0.456287
H 2.089489 -0.227349 -2.182935
H 3.947059 -1.082470 -0.923251
H -0.561723 2.779920 -1.307713
H 0.119275 2.679667 0.327118
H 1.504770 2.074318 -2.368436
H 2.003874 3.223625 -1.092853
H 0.419192 -2.406504 -0.537053
H 2.097774 -1.023732 1.497681
H 3.258495 -2.380717 1.354331
H 2.945011 -3.405439 -0.654815
H 2.380508 -2.662082 -2.056775
H 4.465305 1.918930 0.632155
H 3.661967 1.941352 2.281685
H -2.336926 -3.245309 0.169652
H -4.611291 -2.272220 0.703396
H -5.332635 1.192893 0.739665


