%chk=000052378.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052378

0 1
 Br  -3.684800       1.261900      -1.954900    
 O   -4.500300     -9.0499997E-02  0.7358000    
 O    4.133600      0.5014000     -0.6898000    
 O    2.746300       1.462400       1.489800    
 O    3.674000      -1.724300     -0.6217000    
 O   0.7099000       1.837700      0.5461000    
 C  -0.4850000     -0.6773000     -0.1462000    
 C   -1.281500      5.7799999E-02  -1.024300    
 C   -1.038700      -1.209500       1.018200    
 C   0.9222000     -0.8906000     -0.4448000    
 C   -2.631500      0.2605000     -0.7381000    
 C   -2.388700      -1.006700       1.304600    
 C   -3.185100     -0.2718000      0.4263000    
 C    1.966300     -0.1056000     -8.0700003E-02
 C    3.324200     -0.5632000     -0.4798000    
 C    1.719000       1.157700      0.6595000    
 H  -0.8474000      0.4710000      -1.932800    
 H  -0.4309000      -1.785000       1.712400    
 H    1.107900      -1.806700      -1.003500    
 H   -2.805600      -1.427300       2.215800    
 H   -4.694400     -0.5331000       1.579800    
 H    5.035700      0.2289000     -0.9625000    
 H    2.583900       2.294100       1.983900    


%chk=000052378-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000052378

0 1
Br -3.557096 2.219864 -0.584771
O -4.705745 -0.322298 0.689238
O 4.320340 0.207338 -0.765656
O 2.811042 2.126936 0.661990
O 3.623020 -1.811930 0.142456
O 1.189157 2.173682 -0.988450
C -0.496295 -0.630902 0.199168
C -1.213467 0.542227 -0.196919
C -1.244215 -1.722762 0.737769
C 0.946292 -0.827857 0.078846
C -2.601613 0.617147 -0.023944
C -2.632263 -1.640309 0.917771
C -3.330895 -0.463436 0.542129
C 2.017070 0.020411 -0.123334
C 3.358044 -0.630972 -0.194607
C 1.943110 1.506586 -0.237669
H -0.683554 1.371349 -0.672141
H -0.718902 -2.638245 1.032290
H 1.265615 -1.872835 0.219686
H -3.184359 -2.486495 1.345391
H -5.112928 -1.135142 1.081767
H 5.190599 -0.273617 -0.796262
H 2.766142 3.113059 0.528350


