%chk=000038559.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000038559

0 1
 Br   6.414100      0.3726000     -0.7443000    
 Br -0.9623000       2.482800      0.9417000    
 N  -3.6600001E-02  -1.053500      0.2344000    
 C    1.360300      -1.361200     -4.8700001E-02
 C    2.194700     -8.0200002E-02 -5.9799999E-02
 C    3.670400     -0.3867000     -0.3475000    
 C  -0.5894000     -0.1729000     -0.7962000    
 C  -0.8263000      -2.282400      0.3290000    
 C    4.550800      0.8651000     -0.3794000    
 C   -2.012900      0.2159000     -0.4972000    
 C  -0.2696000      -3.212200       1.393800    
 C    4.517700       1.608700      0.9485000    
 C   -2.314900       1.348300      0.2485000    
 C   -3.023300     -0.5990000     -0.9936000    
 C   -3.647800       1.671400      0.5022000    
 C   -4.356300     -0.2760000     -0.7397000    
 C   -4.668600      0.8592000      8.2000000E-03
 H    1.467600      -1.890600      -1.004600    
 H    1.796600      -1.995700      0.7294000    
 H    2.087000      0.4194000      0.9092000    
 H    1.884600      0.6222000     -0.8368000    
 H    4.046900      -1.087600      0.4094000    
 H    3.747800     -0.9067000      -1.311400    
 H  -0.5536000     -0.6687000      -1.778300    
 H  -2.8200001E-02  0.7485000     -0.9510000    
 H   -1.843600      -2.068100      0.6675000    
 H  -0.8829000      -2.816600     -0.6276000    
 H    4.259200       1.529800      -1.198800    
 H   0.6362000      -3.731300       1.065300    
 H  -6.0600001E-02  -2.682800       2.330000    
 H   -1.006200      -3.991800       1.620200    
 H    5.242900       2.430800      0.9587000    
 H    4.758700      0.9481000       1.788900    
 H    3.536500       2.055800       1.134300    
 H   -2.802800      -1.477700      -1.593400    
 H   -3.910700       2.552000       1.082800    
 H   -5.151300     -0.9060000      -1.127800    
 H   -5.706600       1.111100      0.2049000    


%chk=000038559-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000038559

0 1
Br 6.476606 0.639048 -0.936449
Br -0.777847 2.230688 0.820925
N -0.035410 -1.175266 -0.050279
C 1.404903 -1.334626 -0.377719
C 2.241329 -0.074099 -0.062052
C 3.737265 -0.287410 -0.411992
C -0.764891 -0.446068 -1.122370
C -0.696411 -2.446908 0.348018
C 4.564889 0.992253 -0.218447
C -2.128304 0.070697 -0.683299
C -0.284980 -2.918081 1.755641
C 4.686112 1.484936 1.225503
C -2.316038 1.190026 0.166381
C -3.303375 -0.581238 -1.146566
C -3.595933 1.632965 0.561048
C -4.595669 -0.156915 -0.769882
C -4.742335 0.951897 0.092381
H 1.550842 -1.619123 -1.452026
H 1.802870 -2.173189 0.222395
H 2.112130 0.159863 1.009971
H 1.847142 0.794906 -0.625507
H 4.162567 -1.095365 0.215196
H 3.823474 -0.617732 -1.465054
H -0.907343 -1.087687 -2.029974
H -0.134404 0.408200 -1.429773
H -1.786572 -2.269053 0.347752
H -0.504667 -3.260834 -0.398496
H 4.218243 1.794734 -0.892320
H 0.793921 -3.147711 1.823271
H -0.514022 -2.132407 2.496192
H -0.837869 -3.836229 2.028573
H 5.331765 2.375903 1.294332
H 5.103949 0.698323 1.877743
H 3.682878 1.757486 1.607330
H -3.185777 -1.439687 -1.819243
H -3.697069 2.501870 1.217949
H -5.477962 -0.685530 -1.145694
H -5.736507 1.295362 0.397342


