%chk=000064609.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000064609

0 1
 Br  -4.550200      -2.910800     -0.3143000    
 O  -0.8854000       2.299000     -0.6944000    
 N  -4.3200001E-02  0.1691000     -0.3304000    
 N   -4.635200       1.119700      0.6450000    
 C    2.069700      0.9700000      0.7178000    
 C    2.124000     -0.6935000      -1.177300    
 C    4.279000      0.2966000     -0.3062000    
 C    2.992200      -1.350000       1.102300    
 C    1.342800      0.4933000     -0.5629000    
 C    3.482700       1.450000      0.3293000    
 C    2.205200     -0.1864000       1.730100    
 C    3.536700     -0.2057000      -1.557200    
 C    2.259200      -1.843200     -0.1575000    
 C    4.394100     -0.8545000      0.7074000    
 C   -1.054900       1.114500     -0.4173000    
 C   -2.427200      0.6272000     -0.1232000    
 C   -2.745100     -0.6924000     -0.3334000    
 C   -3.369200       1.496400      0.3566000    
 C   -4.037800      -1.117900     -4.8599999E-02
 C   -4.937300     -0.1811000      0.4342000    
 H    1.517700       1.795600       1.182300    
 H    1.608900      -1.060500      -2.073000    
 H    5.279400      0.6462000     -0.5844000    
 H    3.080400      -2.169600       1.824100    
 H    1.352500       1.318600      -1.287900    
 H    4.008200       1.822700       1.217300    
 H    3.413400       2.289500     -0.3734000    
 H    1.214000     -0.5321000       2.046800    
 H    2.718300      0.1672000       2.633000    
 H    3.468700      0.5981000      -2.300500    
 H    4.101000      -1.022300      -2.024400    
 H    2.817100      -2.673300     -0.6092000    
 H    1.275900      -2.244100      0.1124000    
 H    4.974900      -1.678400      0.2748000    
 H    4.936900     -0.5164000       1.598600    
 H  -0.2522000     -0.7610000      1.3900000E-02
 H   -2.035500      -1.405100     -0.7421000    
 H   -3.159300       2.544500      0.5413000    
 H   -5.961700     -0.4484000      0.6754000    


%chk=000064609-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000064609

0 1
Br -4.852000 -2.880346 -0.654312
O -0.810927 2.318411 -0.479894
N -0.034886 0.129061 -0.303879
N -4.692093 1.103153 0.738188
C 2.117488 1.005431 0.701045
C 2.149596 -0.731736 -1.158031
C 4.324393 0.302876 -0.342249
C 3.052324 -1.315068 1.148651
C 1.375838 0.481979 -0.570125
C 3.528824 1.488655 0.268587
C 2.252296 -0.127747 1.752509
C 3.563043 -0.244138 -1.581197
C 2.298361 -1.859515 -0.096886
C 4.462238 -0.824572 0.717282
C -1.037355 1.079251 -0.299991
C -2.439432 0.568420 -0.064507
C -2.864988 -0.738403 -0.415743
C -3.396846 1.452617 0.497484
C -4.205864 -1.093151 -0.169860
C -5.093999 -0.159976 0.409758
H 1.540421 1.851986 1.116802
H 1.605442 -1.113034 -2.045123
H 5.330239 0.648936 -0.650871
H 3.152668 -2.120814 1.902089
H 1.349767 1.303417 -1.311992
H 4.067910 1.896403 1.146404
H 3.438856 2.311137 -0.468825
H 1.250869 -0.468209 2.085158
H 2.770429 0.261019 2.651194
H 3.477092 0.543877 -2.355541
H 4.125350 -1.085463 -2.032847
H 2.856994 -2.706450 -0.541926
H 1.311021 -2.269975 0.205988
H 5.046797 -1.669366 0.300058
H 5.017168 -0.448298 1.599879
H -0.246891 -0.831367 -0.028917
H -2.188257 -1.448534 -0.901615
H -3.103330 2.475814 0.750117
H -6.139856 -0.414780 0.608140


