%chk=000046438.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046438

0 1
 Br   2.984700       1.345400     -0.9379000    
 O   -2.423000     -0.6357000      0.4039000    
 O    2.359900      -1.089500       1.055300    
 O   -1.912600       1.264500     -0.7998000    
 C   0.6223000       1.329900      0.6570000    
 C    1.301500      0.4932000     -0.4255000    
 C  -0.6557000      0.6845000       1.199700    
 C    1.695200     -0.8969000      3.7000000E-02
 C   -1.726500      0.5106000      0.1456000    
 C    1.209800      -2.051900     -0.8008000    
 C   -3.455500     -0.9543000     -0.5345000    
 H   0.3900000       2.325800      0.2585000    
 H    1.305700       1.485900       1.502000    
 H   0.7036000      0.4402000      -1.339500    
 H   -1.078500       1.313000       1.991700    
 H  -0.4186000     -0.2877000       1.646100    
 H    1.593300      -1.952400      -1.819300    
 H    1.573500      -2.992500     -0.3781000    
 H   0.1174000      -2.065600     -0.8078000    
 H   -4.209200     -0.1613000     -0.5524000    
 H   -3.931900      -1.884300     -0.2130000    
 H   -3.028000      -1.104800      -1.530400    


%chk=000046438-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000046438

0 1
Br 2.844515 1.559210 -0.973597
O -3.057047 0.182606 0.592040
O 1.947226 -1.232890 1.229926
O -1.463720 -0.704383 -0.849514
C 0.455961 1.160793 0.686769
C 1.221537 0.412095 -0.409976
C -0.755089 0.369842 1.264834
C 1.808502 -0.947260 0.010492
C -1.746371 -0.104383 0.219628
C 2.133610 -1.919871 -1.105714
C -4.113570 -0.285531 -0.342021
H 0.117687 2.132522 0.284641
H 1.142833 1.362089 1.526979
H 0.654660 0.317200 -1.346658
H -1.280177 0.993798 2.005861
H -0.367322 -0.522094 1.792558
H 2.672972 -1.420961 -1.929792
H 2.725563 -2.764073 -0.721018
H 1.179940 -2.303395 -1.519752
H -3.998451 0.207212 -1.321826
H -5.058321 0.001668 0.139271
H -4.047539 -1.378095 -0.475330


