%chk=000122829.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000122829

0 1
 Br -0.4596000     -8.5199997E-02   3.220800    
 Br  -4.033100     -0.6231000      -2.340200    
 Br  -3.767300     -0.5745000       3.424100    
 Br  -5.563100     -0.8440000      0.6265000    
 S  -0.8351000     -0.1463000      -2.338900    
 O   -1.895400      0.6340000      -3.299300    
 O   0.3094000      0.7238000      -2.154800    
 O  -0.6842000      -1.503800      -2.821900    
 O    4.274200      -4.115900      9.2600003E-02
 O    2.367800       5.148100      0.1248000    
 C   0.5401000      5.9099998E-02  0.2939000    
 C  -0.9272000     -0.1586000      0.3925000    
 C   -1.656100     -0.2675000     -0.7792000    
 C    1.530900      -1.047800      0.2402000    
 C   0.9938000       1.322700      0.2516000    
 C   -1.533200     -0.2466000       1.633500    
 C   -3.034300     -0.4709000     -0.7071000    
 C   -2.911300     -0.4500000       1.705500    
 C    1.895100      -1.555800     -0.9889000    
 C    2.052800      -1.530900       1.421800    
 C   -3.661800     -0.5621000      0.5352000    
 C   6.1500002E-02   2.438100      0.3013000    
 C    2.421100       1.585700      0.1552000    
 C    2.824400      -2.594900      -1.038800    
 C    2.982100      -2.569900       1.371800    
 C   0.4974000       3.703800      0.2606000    
 C    2.889900       2.839700      0.1124000    
 C    3.367900      -3.102000      0.1415000    
 C    1.953400       3.994500      0.1631000    
 H    1.575000      -1.174900      -1.941700    
 H    1.837600      -1.112400       2.392300    
 H   -1.011000       2.301100      0.3714000    
 H    3.159500      0.7941000      0.1137000    
 H    3.128500      -2.991600      -2.003900    
 H    3.413000      -2.951700       2.293500    
 H  -0.1878000       4.542800      0.2965000    
 H    3.951100       3.048000      4.0399998E-02
 H   -2.118000       1.554800      -3.025400    
 H    4.423400      -4.360700     -0.8369000    


%chk=000122829-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000122829

0 1
Br -0.139184 0.509863 3.236047
Br -4.262333 -1.337759 -1.742957
Br -3.369203 -0.171406 3.874159
Br -5.410827 -1.139580 1.389766
S -1.054711 -0.483811 -2.375238
O -2.128158 0.952188 -2.854401
O 0.475545 0.001192 -2.485692
O -1.464432 -1.822269 -3.172500
O 3.955396 -4.467605 -0.118047
O 2.382112 5.532415 0.006736
C 0.666491 0.197052 0.241622
C -0.803150 -0.075979 0.465413
C -1.705727 -0.467845 -0.553167
C 1.533313 -0.992600 0.145418
C 1.108458 1.529140 0.198699
C -1.334614 0.000639 1.788234
C -3.063163 -0.789635 -0.323185
C -2.694183 -0.301782 2.063175
C 2.668942 -1.007738 -0.720979
C 1.231156 -2.189431 0.865500
C -3.559126 -0.707256 1.009471
C 0.157578 2.627319 0.030731
C 2.517302 1.890315 0.352766
C 3.489560 -2.141692 -0.824442
C 2.047376 -3.326418 0.774097
C 0.567990 3.937266 -0.043375
C 2.936092 3.199411 0.303481
C 3.185782 -3.302302 -0.067486
C 1.992089 4.312397 0.075089
H 2.862058 -0.143299 -1.361047
H 0.360925 -2.222122 1.529112
H -0.906029 2.387793 -0.082808
H 3.237120 1.096684 0.577400
H 4.342354 -2.136328 -1.515066
H 1.825953 -4.236038 1.339017
H -0.143649 4.754541 -0.204350
H 3.985874 3.471846 0.459395
H -2.040850 1.081705 -3.843505
H 4.721274 -4.369671 -0.737385


