%chk=000153608.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000153608

0 1
 Br  -4.726200       2.110700      0.4800000    
 N   0.9078000      -1.128100      0.3155000    
 N   0.7141000      0.9815000     -0.3720000    
 N    3.085800       1.497200     -0.4150000    
 C   6.2799998E-02 -0.1159000     -5.2900001E-02
 C    2.187200     -0.6507000      0.2279000    
 C   -1.370000     -0.2876000     -7.1300000E-02
 C    2.037900      0.6631000     -0.2014000    
 C    3.437600      -1.208200      0.4712000    
 C   -2.206300      0.8020000      0.1707000    
 C   -1.917500      -1.543700     -0.3314000    
 C    4.523600     -0.3637000      0.2564000    
 C   -3.591200      0.6353000      0.1526000    
 C   -3.302200      -1.710400     -0.3495000    
 C   -4.139000     -0.6209000     -0.1076000    
 C    4.295700      0.9394000     -0.1733000    
 H   0.6464000      -2.058500      0.6143000    
 H    3.561800      -2.230800      0.8058000    
 H   -1.783600       1.783400      0.3771000    
 H   -1.294800      -2.410500     -0.5374000    
 H    5.535500     -0.7185000      0.4226000    
 H   -3.729100      -2.687700     -0.5550000    
 H   -5.215900     -0.7678000     -0.1263000    
 H    5.137600       1.605300     -0.3434000    


%chk=000153608-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000153608

0 1
Br -4.711773 2.298913 -0.148243
N 0.969755 -1.261036 0.067157
N 0.683906 1.009352 0.026722
N 3.075614 1.616050 0.085633
C 0.056559 -0.186427 0.025624
C 2.254948 -0.717981 0.095436
C -1.401599 -0.360452 -0.014270
C 2.055888 0.713078 0.070089
C 3.551538 -1.263515 0.138246
C -2.208361 0.810649 -0.054828
C -2.023798 -1.638035 -0.014160
C 4.604812 -0.322503 0.154210
C -3.605007 0.679691 -0.094164
C -3.429626 -1.741809 -0.054653
C -4.238358 -0.582904 -0.095233
C 4.325054 1.076513 0.127310
H 0.733184 -2.251222 0.074783
H 3.744224 -2.341010 0.158466
H -1.712398 1.785203 -0.054232
H -1.428983 -2.558517 0.017499
H 5.646431 -0.656209 0.187242
H -3.906626 -2.727328 -0.054723
H -5.328598 -0.661774 -0.126532
H 5.151216 1.796173 0.140223


