%chk=000002441.chk
%nprocshared=4
%mem=4GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002441

0 1
 Br -0.7568000      -4.456900      0.8210000    
 O   -2.440000       3.493800     -0.5796000    
 N   -2.419800       1.208400     -0.7199000    
 N   8.5800000E-02   1.949600      0.7942000    
 N    1.912400     -0.5016000     -0.8898000    
 C  -0.7064000     -0.3230000      0.2402000    
 C   -1.944200     -7.3899999E-02 -0.3754000    
 C   0.3276000      0.7435000      0.4073000    
 C  -0.3698000      -1.634900      0.6128000    
 C   -1.270400       2.318100       1.137300    
 C    1.745600      0.4233000      7.4299999E-02
 C   -2.774600      -1.156400     -0.7028000    
 C   -2.067400       2.406200     -0.1369000    
 C   -1.228300      -2.695200      0.3248000    
 C   -2.421900      -2.458400     -0.3484000    
 C    2.768200       1.062300      0.7433000    
 C    4.071200      0.7246000      0.3946000    
 C    3.192700     -0.8040000      -1.201700    
 C    4.296100     -0.2254000     -0.5955000    
 H   -3.147600       1.247500      -1.429100    
 H   0.5699000      -1.836300       1.123100    
 H   -1.262800       3.306000       1.610800    
 H   -1.736100       1.632400       1.854500    
 H   -3.723600     -0.9918000      -1.208900    
 H   -3.096100      -3.274100     -0.5963000    
 H    2.592700       1.796500       1.521700    
 H    4.910000       1.199100      0.8950000    
 H    3.314000      -1.551000      -1.979300    
 H    5.303300     -0.5046000     -0.8830000    


%chk=000002441-Freq.chk
%nprocshared=4
%mem=4GB
#p freq=noraman PBEPBE/SDD

000002441

0 1
Br -0.953758 -4.605270 0.696851
O -2.628657 3.535529 -0.390028
N -2.325204 1.263091 -0.760566
N 0.105802 1.877443 0.884422
N 2.066698 -0.748561 -0.639718
C -0.692777 -0.382701 0.188154
C -1.960694 -0.062459 -0.394169
C 0.347562 0.664203 0.425894
C -0.417486 -1.743064 0.502882
C -1.275717 2.254407 1.241766
C 1.789910 0.363461 0.112965
C -2.885637 -1.100598 -0.688720
C -2.131228 2.440410 -0.020698
C -1.360414 -2.743805 0.230519
C -2.595176 -2.441412 -0.385262
C 2.809616 1.242541 0.568453
C 4.148952 0.967968 0.228988
C 3.367783 -1.001295 -0.958162
C 4.440622 -0.175608 -0.552661
H -2.966886 1.371028 -1.553006
H 0.546787 -2.001929 0.941933
H -1.257956 3.217058 1.772118
H -1.765168 1.487507 1.882849
H -3.850742 -0.847349 -1.142031
H -3.318263 -3.230297 -0.609690
H 2.521528 2.114902 1.159838
H 4.952257 1.630894 0.567150
H 3.544703 -1.898440 -1.562269
H 5.467242 -0.423857 -0.839500


