%chk=000006488.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000006488

0 1
 Br   1.152600     -0.6417000       2.171900    
 O  -0.3540000      -1.321500      -1.128900    
 O   -3.073200     -0.7817000     -0.8024000    
 N   -1.289700      0.2082000      0.3383000    
 N   -3.460400      0.8326000      0.7859000    
 C    1.171500     -4.8799999E-02  0.2731000    
 C    2.276000     -0.8560000     -0.4520000    
 C    1.391800       1.476500      0.2601000    
 C  -0.2195000     -0.4646000     -0.2543000    
 C    3.716400     -0.5063000     -8.9599997E-02
 C    1.328500       2.092000      -1.133600    
 C   -2.640100      1.1300000E-02  3.1599998E-02
 H    2.131100      -1.930300     -0.2731000    
 H    2.167400     -0.7238000      -1.536500    
 H   0.6486000       1.988500      0.8834000    
 H    2.357900       1.728800      0.7141000    
 H    3.970200      0.5145000     -0.3892000    
 H    4.402100      -1.178100     -0.6170000    
 H    3.909100     -0.6134000      0.9812000    
 H   0.3561000       1.920400      -1.604600    
 H    2.106000       1.686500      -1.787400    
 H    1.480800       3.174400      -1.069700    
 H   -1.089600      0.8730000       1.079000    
 H   -3.084000       1.482400       1.467800    
 H   -4.468900      0.8090000      0.6778000    


%chk=000006488-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000006488

0 1
Br 1.110138 -0.066184 2.347005
O -0.375276 -0.596650 -1.504285
O -3.100953 0.512440 -1.123514
N -1.354905 0.215721 0.471372
N -3.599146 0.202394 1.134611
C 1.146783 0.166280 0.237797
C 2.175090 -0.850694 -0.297064
C 1.495582 1.661202 0.002743
C -0.273093 -0.135465 -0.339124
C 3.643829 -0.584704 0.080569
C 1.624437 2.025909 -1.498160
C -2.727001 0.310301 0.054986
H 1.873684 -1.861034 0.034896
H 2.056793 -0.849847 -1.397833
H 0.715861 2.290413 0.470428
H 2.442344 1.883506 0.525851
H 4.011633 0.373927 -0.327327
H 4.282564 -1.385742 -0.332385
H 3.784839 -0.570838 1.175820
H 0.698270 1.809043 -2.056649
H 2.449224 1.474322 -1.982265
H 1.838196 3.105553 -1.591647
H -1.126073 0.423043 1.450942
H -3.315335 -0.147313 2.048409
H -4.590783 0.326317 0.940725


