%chk=000046658.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046658

0 1
 Br   3.900900      0.2614000     -2.0600000E-02
 O  -3.2800000E-02 -0.3999000      0.6839000    
 O   -1.638900      0.8678000     -0.6223000    
 O    1.149100      0.1690000      -1.213400    
 C   -1.326100     -0.3751000      2.2100000E-02
 C   -2.370300     -0.7331000       1.086700    
 C   -1.350600      -1.460900      -1.061000    
 C    1.102000     -0.1166000     -2.6000001E-02
 C   -1.703100       1.999000      0.2349000    
 C    2.269700     -0.2115000      0.9156000    
 H   -2.209300      -1.746000       1.472700    
 H   -3.388200     -0.6569000      0.6904000    
 H   -2.298200     -6.2899999E-02   1.950500    
 H   -2.363300      -1.588600      -1.460400    
 H  -0.9983000      -2.422300     -0.6723000    
 H  -0.7226000      -1.201000      -1.918600    
 H   -1.776800       2.893200     -0.3904000    
 H  -0.8039000       2.083400      0.8514000    
 H   -2.595000       1.956500      0.8657000    
 H    2.160300      0.4977000       1.738600    
 H    2.391500      -1.234800       1.276100    


%chk=000046658-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000046658

0 1
Br 4.100401 0.161392 0.139779
O -0.006245 -0.371230 0.649453
O -1.657773 0.867738 -0.645173
O 1.270627 -0.066693 -1.316772
C -1.395238 -0.406056 -0.035118
C -2.310563 -0.746637 1.147711
C -1.424973 -1.438936 -1.163100
C 1.170980 -0.186696 -0.085737
C -1.779007 2.028062 0.253164
C 2.303642 -0.178659 0.947293
H -2.102220 -1.770449 1.498490
H -3.364878 -0.689566 0.825776
H -2.150764 -0.057608 1.993050
H -2.468887 -1.578677 -1.492756
H -1.032873 -2.406841 -0.808563
H -0.823228 -1.088423 -2.013303
H -1.818803 2.899488 -0.417137
H -0.901056 2.111489 0.920668
H -2.705530 1.983625 0.856563
H 2.132703 0.608248 1.697003
H 2.359786 -1.155170 1.452309


