%chk=000080598.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080598

0 1
 Br   2.196900      -1.620400     -9.9999997E-05
 S    1.932800       1.783600       0.000000    
 C   0.4837000      0.7294000      9.9999997E-05
 C   0.5529000     -0.6639000      9.9999997E-05
 C  -0.7575000       1.366000       0.000000    
 C  -0.6192000      -1.420300      9.9999997E-05
 C   -1.929400      0.6094000     -9.9999997E-05
 C   -1.860300     -0.7837000     -9.9999997E-05
 H  -0.8377000       2.450500     -9.9999997E-05
 H  -0.5882000      -2.507000      9.9999997E-05
 H   -2.896000       1.104800     -1.9999999E-04
 H   -2.772900      -1.372400     -9.9999997E-05
 H    2.844000      0.7995000      3.0000001E-04


%chk=000080598-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000080598

0 1
Br 2.250266 -1.657877 0.000104
S 1.960739 1.840353 0.000040
C 0.502839 0.738029 0.000014
C 0.541396 -0.679775 0.000032
C -0.768841 1.371940 -0.000049
C -0.645108 -1.446200 0.000004
C -1.958640 0.614831 -0.000088
C -1.900664 -0.799308 -0.000056
H -0.816715 2.466447 -0.000060
H -0.586702 -2.539030 0.000030
H -2.925092 1.130039 -0.000141
H -2.817558 -1.397607 -0.000072
H 2.913178 0.833659 0.000241


