%chk=000065278.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000065278

0 1
 Br   5.449500       1.568900     -0.4005000    
 S   6.2700003E-02 -0.2210000     -0.5355000    
 O    3.037300      -2.742500     -0.1839000    
 O   -2.685200       2.016100      -1.476800    
 O   -1.676000       3.037200      0.2795000    
 O   -4.179000      -1.370100       1.297200    
 N   -3.037400     -0.2055000     -0.3603000    
 C    1.484300     -0.9747000      0.3439000    
 C    2.526500      -1.497400     -0.6748000    
 C  -0.9638000      0.1222000      0.9087000    
 C   -2.318100      0.7178000      0.5195000    
 C    2.031100      5.4699998E-02   1.298800    
 C    3.695100     -0.5759000     -0.9100000    
 C    3.186900      0.7006000       1.085700    
 C    3.984100      0.4512000     -9.4700001E-02
 C   -2.175600       2.035500     -0.2193000    
 C   -3.899800      -1.161400      0.1195000    
 C   -4.522500      -1.955800     -0.9971000    
 H    1.097600      -1.818500      0.9282000    
 H    2.061200      -1.721800      -1.642200    
 H  -0.4673000      0.8441000       1.562300    
 H   -1.117200     -0.8077000       1.466900    
 H   -2.932500      0.8945000       1.409500    
 H    1.503000      0.2445000       2.228900    
 H    4.316500     -0.7833000      -1.777600    
 H    3.543700       1.414200       1.821700    
 H   -2.869200     -0.1437000      -1.360800    
 H    2.298000      -3.374100     -0.1636000    
 H   -5.126200      -2.766900     -0.5806000    
 H   -5.164000      -1.305800      -1.598800    
 H   -3.742900      -2.388200      -1.631000    
 H   -2.592500       2.884900      -1.922800    


%chk=000065278-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000065278

0 1
Br 4.674520 1.320446 -2.286314
S 0.005496 -1.112624 -0.219409
O 3.748992 -2.045150 1.229368
O -1.893857 2.227444 -0.746720
O -0.970251 2.176317 1.382833
O -4.425153 -1.568803 0.611581
N -3.056795 -0.125096 -0.572393
C 1.631124 -0.780931 0.809441
C 2.753893 -1.660455 0.191631
C -1.311893 -0.785935 1.108506
C -2.341735 0.276423 0.641720
C 1.911105 0.692318 0.834410
C 3.545518 -0.963039 -0.893283
C 2.825834 1.253317 -0.014627
C 3.576904 0.397493 -0.935128
C -1.664444 1.635557 0.496956
C -4.090186 -1.045711 -0.497678
C -4.781218 -1.382176 -1.811924
H 1.390849 -1.167409 1.815356
H 2.284014 -2.577388 -0.221338
H -0.807266 -0.443249 2.026261
H -1.847741 -1.727603 1.302277
H -3.087484 0.357586 1.461385
H 1.332999 1.320056 1.520884
H 4.142367 -1.584281 -1.565347
H 3.003578 2.332563 -0.022600
H -2.802074 0.327155 -1.451645
H 3.386078 -2.810260 1.748172
H -4.673467 -2.462474 -2.010525
H -5.860718 -1.175360 -1.713946
H -4.383924 -0.819766 -2.673870
H -1.406765 3.093134 -0.804035


