%chk=000094786.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094786

0 1
 Br  -3.983600     -0.1961000       0.000000    
 S   -1.284900       1.481600      3.9999999E-04
 C   0.1593000     -0.6631000     -9.9999997E-05
 C   0.2675000      0.7310000       0.000000    
 C   -1.214900      -1.077300     -3.9999999E-04
 C    1.351400      -1.426900      9.9999997E-05
 C    1.521700       1.372500     -1.9999999E-04
 C    2.597200     -0.7937000      3.9999999E-04
 C   -2.092700     -1.9300001E-02  9.9999997E-05
 C    2.679000      0.5914000     -3.0000001E-04
 H   -1.529500      -2.114400     -6.0000003E-04
 H    1.303500      -2.513200      1.9999999E-04
 H    1.595400       2.456300     -3.9999999E-04
 H    3.504700      -1.390900      6.0000003E-04
 H    3.652100       1.074900     -3.9999999E-04


%chk=000094786-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000094786

0 1
Br -4.034598 -0.204829 -0.000113
S -1.342141 1.576616 -0.000247
C 0.164275 -0.662088 -0.000001
C 0.289634 0.766591 -0.000121
C -1.217685 -1.110511 -0.000012
C 1.348140 -1.449048 0.000043
C 1.542171 1.410117 -0.000103
C 2.603834 -0.814255 0.000025
C -2.115134 -0.068776 -0.000121
C 2.702518 0.605185 -0.000021
H -1.516971 -2.160237 0.000055
H 1.273948 -2.542275 0.000072
H 1.620835 2.502044 -0.000113
H 3.518479 -1.417013 0.000052
H 3.688896 1.081279 0.000004


