%chk=000078702.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000078702

0 1
 Br  -2.787700     -0.4034000     -1.1500000E-02
 N    2.505800     -0.4193000     -4.9000001E-03
 C   5.7500001E-02 -0.3007000      1.9900000E-02
 C    1.364900      0.4888000     -9.8999999E-03
 C   -1.140500      0.6346000      6.5000001E-03
 H   1.2800000E-02 -0.9748000     -0.8456000    
 H   2.5800001E-02 -0.9352000      0.9152000    
 H    1.427700       1.146200      0.8638000    
 H    1.407400       1.118500     -0.9055000    
 H   -1.160000       1.262800     -0.8884000    
 H   -1.177000       1.266500      0.8981000    
 H    3.367400      0.1203000     -7.6600000E-02
 H    2.473200      -1.016400     -0.8303000    


%chk=000078702-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000078702

0 1
Br -2.896848 -0.416442 0.047118
N 2.530407 -0.412632 -0.058543
C 0.058818 -0.291936 -0.001076
C 1.383762 0.511913 -0.066731
C -1.154021 0.639142 0.013334
H -0.003248 -0.969653 -0.874740
H 0.077156 -0.924615 0.903190
H 1.459978 1.158861 0.828629
H 1.349939 1.192237 -0.954315
H -1.229309 1.262530 -0.891765
H -1.197801 1.269486 0.915376
H 3.437177 0.024098 0.125881
H 2.561290 -1.055089 -0.855557


