%chk=000012818.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000012818

0 1
 Br   4.580000      8.8399999E-02  0.4947000    
 S   -1.718000     -8.6999997E-02 -0.7684000    
 O   -2.042100       1.116500      -1.511700    
 O   -2.003300      -1.384800      -1.351900    
 N   -2.420400      2.7999999E-03  0.8040000    
 C   1.7700000E-02 -3.8199998E-02 -0.4196000    
 C   0.6949000      -1.225100     -0.2101000    
 C   0.6586000       1.185700     -0.3645000    
 C   -2.085900      -1.069500       1.775300    
 C   -2.496600       1.336400       1.453300    
 C    2.062100      -1.186800      6.4400002E-02
 C    2.025700       1.223900     -9.0000004E-02
 C    2.727400      3.7700001E-02  0.1245000    
 H   0.1943000      -2.187500     -0.2477000    
 H   0.1281000       2.119600     -0.5217000    
 H   -2.060400      -2.044700       1.281500    
 H   -2.862500      -1.118600       2.545400    
 H   -1.123600     -0.8755000       2.256900    
 H   -2.896200       2.080100      0.7588000    
 H   -1.511200       1.653100       1.805300    
 H   -3.179600       1.293500       2.307800    
 H    2.594000      -2.120100      0.2302000    
 H    2.528900       2.186400     -4.5299999E-02


%chk=000012818-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000012818

0 1
Br 4.768878 0.202016 0.399093
S -1.747305 -0.119485 -0.732554
O -2.141513 1.229961 -1.548135
O -2.051353 -1.624048 -1.266842
N -2.664739 0.013983 0.921173
C 0.120535 -0.027579 -0.399069
C 0.816679 -1.225884 -0.166265
C 0.739990 1.233284 -0.425878
C -2.364372 -1.148195 1.787872
C -2.459762 1.345451 1.535794
C 2.208119 -1.156243 0.073190
C 2.131409 1.300742 -0.186475
C 2.842002 0.106281 0.066496
H 0.295163 -2.187815 -0.204434
H 0.160248 2.131887 -0.660570
H -2.443646 -2.070627 1.189190
H -3.145277 -1.182982 2.568981
H -1.369043 -1.099183 2.284973
H -2.596584 2.120404 0.763558
H -1.470125 1.469885 2.031150
H -3.251402 1.479374 2.295059
H 2.784413 -2.068157 0.251345
H 2.649585 2.263230 -0.206453


