%chk=000151098.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000151098

0 1
 Br   6.341000      0.6702000     -0.6746000    
 S   0.1987000     -0.4354000      0.9990000    
 O   -3.311200      -1.794400       1.060000    
 O   -2.205200      -2.819600     -0.6329000    
 O   -4.144900       1.530900      -1.416500    
 N   -2.808700      0.6259000      0.2619000    
 C   -2.166800     -0.3976000     -0.5246000    
 C  -0.6508000     -0.1978000     -0.5970000    
 C   -2.544400      -1.793300     -5.6499999E-02
 C    1.898400     -0.1298000      0.5360000    
 C   -3.747000       1.506000     -0.2548000    
 C    2.412700       1.161500      0.6077000    
 C    2.698400      -1.184200      0.1050000    
 C   -4.276500       2.455100      0.7866000    
 C    3.738200       1.400600      0.2452000    
 C    4.024100     -0.9453000     -0.2573000    
 C    4.544000      0.3472000     -0.1871000    
 H   -2.562100     -0.3230000      -1.545600    
 H  -0.4271000      0.8115000     -0.9608000    
 H  -0.2225000     -0.9112000      -1.310200    
 H   -2.583900      0.6705000       1.251800    
 H    1.798900       1.994200      0.9418000    
 H    2.309300      -2.197400      4.3600000E-02
 H   -4.814800       3.272900      0.2995000    
 H   -4.958700       1.920000       1.452700    
 H   -3.453700       2.877600       1.370400    
 H    4.128000       2.413400      0.3057000    
 H    4.638600      -1.777100     -0.5918000    
 H   -3.548800      -2.703700       1.340800    


%chk=000151098-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000151098

0 1
Br 6.365581 -0.844400 -0.405903
S 0.125340 1.053884 0.720312
O -2.382905 -1.882876 1.387720
O -0.813027 -2.395588 -0.241889
O -3.858981 1.581339 -1.479020
N -3.046240 0.451615 0.370708
C -2.093419 -0.304692 -0.446952
C -0.841187 0.521447 -0.830336
C -1.680600 -1.618613 0.209771
C 1.837064 0.485192 0.330594
C -3.901249 1.365118 -0.227485
C 2.895851 1.374666 0.633292
C 2.120220 -0.802828 -0.184157
C -4.868806 2.082227 0.703931
C 4.238577 0.982743 0.428685
C 3.459575 -1.192962 -0.412764
C 4.503012 -0.297492 -0.098869
H -2.599280 -0.549733 -1.406339
H -1.164195 1.430768 -1.358541
H -0.166108 -0.066194 -1.470569
H -3.113036 0.228889 1.364725
H 2.676567 2.376005 1.017412
H 1.314416 -1.514128 -0.395959
H -4.648903 3.163947 0.690992
H -5.896069 1.953912 0.322813
H -4.822933 1.722825 1.746056
H 5.055117 1.671210 0.663676
H 3.678311 -2.186577 -0.814169
H -2.069494 -2.742006 1.780267


