%chk=000153609.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000153609

0 1
 Br  -5.972000     -5.3800002E-02  9.7000003E-03
 N   0.8939000      -1.069300      0.2262000    
 N   0.9026000       1.109800     -0.2343000    
 N    3.313200       1.389800     -0.2925000    
 C   0.1493000      5.4800000E-02 -1.1400000E-02
 C    2.213300     -0.7143000      0.1513000    
 C   -1.293600      2.8700000E-02 -5.9000002E-03
 C    2.190200      0.6458000     -0.1358000    
 C    3.404900      -1.415400      0.2996000    
 C   -2.009200       1.164300      0.3716000    
 C   -1.971300      -1.131600     -0.3792000    
 C    4.566800     -0.6646000      0.1416000    
 C   -3.403900       1.139900      0.3760000    
 C   -3.366000      -1.156200     -0.3750000    
 C   -4.082400     -2.0300001E-02  2.6000000E-03
 C    4.464400      0.6926000     -0.1447000    
 H   0.5449000      -1.995600      0.4347000    
 H    3.430800      -2.474800      0.5231000    
 H   -1.500300       2.078100      0.6689000    
 H   -1.444100      -2.029500     -0.6916000    
 H    5.540400      -1.133400      0.2410000    
 H   -3.947100       2.033100      0.6737000    
 H   -3.879600      -2.067300     -0.6712000    
 H    5.366300       1.286100     -0.2696000    


%chk=000153609-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000153609

0 1
Br -6.108562 0.084686 -0.023121
N 0.940510 -1.179511 -0.032778
N 0.887648 1.101081 0.152447
N 3.329648 1.456267 0.207774
C 0.140625 -0.020166 0.053676
C 2.274776 -0.773418 0.016176
C -1.326655 -0.039153 0.034919
C 2.222520 0.666010 0.131946
C 3.509181 -1.447507 -0.027948
C -2.018669 1.201008 0.104291
C -2.080290 -1.240891 -0.049417
C 4.653645 -0.622954 0.050604
C -3.425427 1.244336 0.087922
C -3.490628 -1.210525 -0.066358
C -4.149601 0.034742 0.001856
C 4.518132 0.792485 0.165635
H 0.605377 -2.137460 -0.112510
H 3.590995 -2.535637 -0.116711
H -1.429018 2.120268 0.170662
H -1.588586 -2.219799 -0.100452
H 5.655818 -1.061467 0.023804
H -3.949364 2.202679 0.141118
H -4.064045 -2.139465 -0.130806
H 5.413470 1.421291 0.226072


