%chk=000101309.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000101309

0 1
 Br   4.655400       2.001400      0.2122000    
 S  -0.5383000      -1.756200     -0.2219000    
 O  -0.8058000      -1.988300      -1.628400    
 O  -0.3259000      -2.876000      0.6751000    
 N   -1.750100     -0.7557000      0.4253000    
 C   -3.505600      0.9712000      2.0600000E-02
 C   -2.050600      0.5462000     -0.2117000    
 C   -3.844100       1.096600       1.506700    
 C   -3.851900       2.262800     -0.7214000    
 C   0.8900000     -0.7217000     -0.1020000    
 C    1.661500     -0.7660000       1.045800    
 C    1.210300      0.1121000      -1.159200    
 C    2.789200      4.9500000E-02   1.139900    
 C    2.338100      0.9277000      -1.065300    
 C    3.127700      0.8963000      8.4299996E-02
 H   -4.152300      0.1824000     -0.3879000    
 H   -1.871100      0.4793000      -1.290100    
 H   -1.372800       1.301300      0.2025000    
 H   -1.894300     -0.7942000       1.441600    
 H   -3.176600       1.808100       2.004400    
 H   -4.872400       1.449700       1.641400    
 H   -3.765900      0.1349000       2.022500    
 H   -3.251500       3.101300     -0.3529000    
 H   -4.908900       2.517800     -0.5912000    
 H   -3.663100       2.156200      -1.794800    
 H    1.410800      -1.412100       1.881300    
 H   0.6071000      0.1532000      -2.060700    
 H    3.392700      1.4600000E-02   2.043200    
 H    2.587300       1.582500      -1.896300    


%chk=000101309-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000101309

0 1
Br 5.127947 1.774904 0.304496
S -0.525230 -1.632883 -0.257077
O -0.849386 -1.717685 -1.846629
O -0.382352 -2.919311 0.723557
N -1.892504 -0.651821 0.455450
C -3.762211 0.936258 0.060247
C -2.286430 0.578934 -0.261620
C -3.978159 1.191340 1.569925
C -4.181707 2.166039 -0.778236
C 1.095184 -0.646339 -0.095511
C 1.878796 -0.844649 1.053405
C 1.458131 0.217615 -1.141566
C 3.085878 -0.118788 1.172170
C 2.664947 0.944015 -1.019100
C 3.455959 0.770049 0.138109
H -4.374986 0.064956 -0.241570
H -2.197060 0.363285 -1.342436
H -1.632025 1.448105 -0.020146
H -1.752161 -0.584837 1.474955
H -3.321781 2.007098 1.932454
H -5.023178 1.491460 1.767060
H -3.780523 0.285196 2.172075
H -3.584074 3.057171 -0.504986
H -5.245177 2.409479 -0.602790
H -4.050000 1.983297 -1.860832
H 1.574311 -1.568380 1.816653
H 0.836809 0.298479 -2.039256
H 3.726216 -0.251487 2.048364
H 2.983667 1.623400 -1.814165


