%chk=000178472.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000178472

0 1
 Br -4.7899999E-02  0.7430000      -2.500600    
 Br   4.592300       1.758700      0.6369000    
 N    2.484500     -0.2517000      0.4547000    
 N    2.313900       1.402000      -1.017800    
 N   -1.678000      0.4799000      0.9839000    
 N   -3.748500     -0.5040000     -0.6320000    
 C    1.386000     -0.4908000     -0.2894000    
 C   0.5996000      -1.667300     -1.5600000E-02
 C  -0.5764000      -1.681800      0.9622000    
 C   -1.700000     -0.7961000      0.5507000    
 C    1.281100      0.5137000      -1.184200    
 C    3.019800      0.9121000     -2.2900000E-02
 C    3.016700      -1.043000       1.543500    
 C   0.9273000      -2.793900     -0.6777000    
 C   -2.717200      -1.279500     -0.2429000    
 C   -2.709300       1.255500      0.5947000    
 C   -3.726300      0.7722000     -0.1989000    
 C   -2.717500       2.671100       1.055300    
 H  -0.2104000      -1.359600       1.946300    
 H  -0.9491000      -2.702900       1.116700    
 H    3.210600     -0.3821000       2.392600    
 H    2.312600      -1.813300       1.860000    
 H    3.944300      -1.509500       1.201300    
 H   0.3750000      -3.716100     -0.5276000    
 H    1.750600      -2.827500      -1.385300    
 H   -2.743300      -2.303300     -0.5974000    
 H   -4.558600       1.389400     -0.5162000    
 H   -2.703300       3.350800      0.1974000    
 H   -3.610500       2.871600       1.655600    
 H   -1.839400       2.888400       1.672400    


%chk=000178472-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178472

0 1
Br 0.866640 -0.771771 -3.602246
Br 3.303885 2.631558 0.367535
N 1.915253 0.060553 0.296801
N 2.149552 1.028856 -1.749402
N -1.289537 0.229045 1.238120
N -3.520407 -0.128218 -0.490149
C 1.305990 -0.823087 -0.634665
C 0.622496 -2.084938 -0.280652
C -0.474633 -2.059924 0.797207
C -1.494723 -0.953849 0.580579
C 1.487618 -0.182022 -1.875884
C 2.392822 1.139470 -0.437968
C 2.031433 -0.152488 1.747398
C 0.898168 -3.229576 -0.966627
C -2.610205 -1.121532 -0.280705
C -2.188224 1.245179 1.029264
C -3.299040 1.048532 0.165993
C -1.938399 2.552314 1.740493
H -0.035337 -1.914806 1.800239
H -0.976202 -3.043936 0.799105
H 1.074885 0.099743 2.237126
H 2.294788 -1.204486 1.944975
H 2.833299 0.490412 2.141806
H 0.335989 -4.152835 -0.784648
H 1.681496 -3.266031 -1.729808
H -2.778200 -2.062894 -0.814139
H -4.027150 1.847878 -0.006216
H -0.983674 2.995385 1.402379
H -2.745896 3.278027 1.549831
H -1.854088 2.391443 2.829954


