%chk=000029665.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029665

0 1
 Br  -5.259700     -0.4753000      0.3557000    
 N   0.6636000      0.3888000     -0.7007000    
 N    2.782200      0.7979000     -2.9700000E-02
 N    1.104000      0.7038000       1.640400    
 N    4.880100     -0.1523000     -0.3982000    
 N    3.181900      -1.563600      0.1849000    
 C  -0.7054000      0.1890000     -0.4570000    
 C   -1.572500       1.277700     -0.4499000    
 C   -1.185700      -1.096400     -0.2237000    
 C   -2.931700       1.079300     -0.2072000    
 C   -2.545000      -1.294900      1.8900000E-02
 C   -3.418000     -0.2069000      2.7100001E-02
 C    1.456600      0.6140000      0.3100000    
 C    3.549700     -0.2611000     -7.0799999E-02
 H   -1.202100       2.283000     -0.6318000    
 H  -0.5123000      -1.949300     -0.2285000    
 H   -3.598500       1.937800     -0.2042000    
 H   -2.907500      -2.303500      0.1997000    
 H    1.803900      0.8913000       2.350300    
 H   0.1480000      0.5866000       1.956800    
 H    5.294800      0.7479000     -0.6132000    
 H    5.485500     -0.9650000     -0.4333000    
 H    2.232200      -1.812900      0.4389000    
 H    3.855100      -2.319900      0.1252000    


%chk=000029665-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000029665

0 1
Br -5.409047 -0.278097 -0.301341
N 0.797531 -0.350617 0.118658
N 2.972681 0.532858 0.666329
N 1.112953 1.542149 1.584401
N 4.998877 -0.287724 -0.106084
N 2.997231 -1.367631 -0.799370
C -0.612001 -0.272123 0.078420
C -1.330448 0.930679 -0.207250
C -1.362155 -1.474825 0.230705
C -2.737746 0.930822 -0.321816
C -2.768255 -1.483777 0.122592
C -3.444905 -0.276093 -0.148732
C 1.585936 0.540227 0.747771
C 3.618852 -0.380119 -0.084365
H -0.780862 1.862039 -0.383326
H -0.821481 -2.403870 0.438275
H -3.270582 1.858188 -0.553334
H -3.325418 -2.416863 0.249137
H 1.804405 2.111652 2.065666
H 0.126197 1.613407 1.819430
H 5.418505 0.460141 0.439868
H 5.582873 -0.912766 -0.653213
H 1.942995 -1.325592 -0.690164
H 3.503064 -2.056063 -1.352557


