%chk=000028522.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028522

0 1
 Br  -3.485900       1.658000      0.2884000    
 O    3.756900     -4.6000001E-03  0.3225000    
 N    1.611000      0.3274000     -7.8400001E-02
 N    2.619700     -0.4834000      0.3819000    
 C   0.2680000     -0.1035000     -6.4099997E-02
 C  -0.7622000      0.8258000      8.0600001E-02
 C  -2.9600000E-02  -1.460000     -0.1947000    
 C   -2.090000      0.3984000      9.4700001E-02
 C   -1.357300      -1.887400     -0.1806000    
 C   -2.387400     -0.9582000     -3.5999998E-02
 C    1.856800       1.687500     -0.6145000    
 H  -0.5554000       1.885500      0.2047000    
 H   0.7484000      -2.208200     -0.3218000    
 H   -1.589400      -2.943200     -0.2853000    
 H   -3.416600      -1.307700     -2.8100001E-02
 H    1.689800       2.439700      0.1640000    
 H    1.215700       1.901300      -1.478000    
 H    2.887300       1.801500     -0.9698000    


%chk=000028522-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000028522

0 1
Br -3.601356 1.675346 -0.031998
O 3.793168 -0.167216 -0.356256
N 1.594795 0.375687 -0.252207
N 2.600730 -0.617703 -0.268323
C 0.250124 -0.100047 -0.154459
C -0.817574 0.836274 -0.144031
C -0.028377 -1.493410 -0.067574
C -2.140103 0.362041 -0.046041
C -1.362805 -1.926688 0.028311
C -2.442510 -1.008951 0.041208
C 1.929926 1.807363 -0.331537
H -0.630969 1.909794 -0.211632
H 0.793815 -2.210400 -0.075699
H -1.574739 -2.998918 0.095295
H -3.476496 -1.354773 0.116836
H 1.572591 2.342599 0.565266
H 1.490618 2.263606 -1.235931
H 3.028962 1.874295 -0.385731


