%chk=000161682.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000161682

0 1
 Br -0.3375000      -2.674100     -0.1315000    
 N    3.386300      0.1927000     -0.2732000    
 N    4.272000      0.2825000      0.8419000    
 C   0.9980000      0.1218000     -0.9136000    
 C  -0.4099000      0.1935000     -0.4166000    
 C    2.016600      0.2390000      0.2275000    
 C   -1.117300     -0.9478000     -3.9099999E-02
 C   -1.015100       1.447700     -0.3359000    
 C   -2.429900     -0.8350000      0.4189000    
 C   -2.327800       1.560400      0.1221000    
 C   -3.035300      0.4191000      0.4994000    
 H    1.173600     -0.7826000      -1.506900    
 H    1.166300      0.9418000      -1.626600    
 H    1.850000     -0.5698000      0.9511000    
 H    1.850200       1.185200      0.7602000    
 H  -0.4770000       2.347300     -0.6235000    
 H    3.546900     -0.6876000     -0.7616000    
 H   -2.997100      -1.712900      0.7175000    
 H   -2.799000       2.536900      0.1856000    
 H   -4.057300      0.5071000      0.8562000    
 H    4.210200     -0.5718000       1.395200    
 H    5.230400      0.3221000      0.4975000    


%chk=000161682-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000161682

0 1
Br -0.404873 -2.742142 -0.147354
N 3.402853 0.037522 -0.227097
N 4.395223 0.204646 0.779214
C 1.026764 0.127757 -0.905951
C -0.415432 0.201835 -0.442141
C 2.019050 0.157060 0.286638
C -1.182469 -0.925236 -0.051950
C -1.059971 1.466766 -0.346392
C -2.512599 -0.824405 0.406368
C -2.387431 1.598507 0.112036
C -3.118228 0.449448 0.489710
H 1.194033 -0.797882 -1.490139
H 1.262993 0.981367 -1.565852
H 1.751319 -0.647295 1.012391
H 1.948915 1.119345 0.821827
H -0.493921 2.357679 -0.643672
H 3.521764 -0.820344 -0.793647
H -3.066635 -1.723159 0.692184
H -2.850234 2.589425 0.170522
H -4.150709 0.534964 0.844516
H 4.631573 -0.605824 1.364821
H 5.185313 0.775463 0.478567


