%chk=000089970.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000089970

0 1
 Br   5.129800      -1.592800     -1.8000000E-03
 S  -0.5204000       1.466000     -3.0000000E-03
 O  -0.6353000       2.185400      -1.263900    
 O  -0.5506000       2.201200       1.254700    
 C    1.038000      0.6212000     -2.7999999E-03
 C   -1.796400      0.2741000      1.2000001E-03
 C    1.625900      0.2989000      -1.210400    
 C    1.629000      0.3059000       1.205400    
 C   -2.304800     -0.1992000       1.210900    
 C   -2.307300     -0.2050000      -1.205200    
 C    2.852800     -0.3648000      -1.210000    
 C    2.855900     -0.3578000       1.205900    
 C   -3.323700      -1.151700       1.214300    
 C   -3.326300      -1.157600      -1.201700    
 C    3.467800     -0.6931000     -1.9000000E-03
 C   -3.834500      -1.630800      8.1000002E-03
 H    1.158800      0.5402000      -2.160000    
 H    1.165200      0.5492000       2.156200    
 H   -1.917500      0.1557000       2.161800    
 H   -1.922100      0.1420000      -2.159800    
 H    3.315400     -0.6204000      -2.159900    
 H    3.320800     -0.6085000       2.156000    
 H   -3.718500      -1.521500       2.156100    
 H   -3.722800      -1.532500      -2.140800    
 H   -4.627300      -2.373100      1.0800000E-02


%chk=000089970-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000089970

0 1
Br 5.262202 -1.649554 -0.004895
S -0.532906 1.543328 -0.003306
O -0.624338 2.305858 -1.450163
O -0.619267 2.313315 1.439936
C 1.112294 0.595826 -0.003471
C -1.888054 0.209653 0.002254
C 1.702106 0.295021 -1.240408
C 1.704804 0.298490 1.233005
C -2.377348 -0.222246 1.244346
C -2.379072 -0.231497 -1.235893
C 2.945374 -0.378420 -1.240048
C 2.948015 -0.375050 1.231749
C -3.409601 -1.189799 1.238152
C -3.411233 -1.199054 -1.220954
C 3.543337 -0.710776 -0.004343
C -3.917066 -1.678762 0.010766
H 1.221886 0.602819 -2.174940
H 1.226933 0.608897 2.167853
H -1.986462 0.204651 2.173919
H -1.989740 0.188352 -2.169294
H 3.438421 -0.630481 -2.182745
H 3.443086 -0.624559 2.174064
H -3.820023 -1.551594 2.186554
H -3.822917 -1.568005 -2.166048
H -4.718532 -2.425417 0.014110


