%chk=000027632.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000027632

0 1
 Br  -6.224800      -1.682600      -1.033200    
 O    4.393200      0.9064000      -2.230000    
 N    2.491700     -0.8785000      0.7656000    
 N   -1.324300       1.363200      0.9153000    
 N   0.4705000      0.1160000     -1.0100000E-02
 N    2.406200      0.5229000      -1.129100    
 N   0.7901000       2.035400       1.389400    
 C    3.844600      -1.082000      0.6498000    
 C   -2.460100      0.6572000      0.4642000    
 C    1.822200     -8.1500001E-02 -0.1316000    
 C   2.5300000E-02   1.108900      0.7039000    
 C    4.519800     -0.4952000     -0.3501000    
 C   -3.660500       1.333400      0.2496000    
 C   -2.380700     -0.7156000      0.2338000    
 C    4.506600      -1.963100       1.662300    
 C   -4.783300      0.6357000     -0.1957000    
 C   -3.503300      -1.413300     -0.2118000    
 C    3.771600      0.3702000      -1.316000    
 C   -4.704700     -0.7376000     -0.4264000    
 H    2.006200      -1.334100       1.530300    
 H   -1.554400       2.256100       1.344000    
 H    5.586700     -0.6176000     -0.4936000    
 H   -3.734700       2.403700      0.4247000    
 H   -1.478300      -1.286200      0.4265000    
 H    5.582300      -2.060200       1.481400    
 H    4.071600      -2.967800       1.636100    
 H    4.372700      -1.554200       2.669300    
 H   -5.711600       1.177300     -0.3588000    
 H   -3.428100      -2.484800     -0.3790000    
 H   0.3610000       2.774100       1.936000    
 H    1.803700       2.009100       1.368300    


%chk=000027632-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000027632

0 1
Br -6.118737 -2.276811 0.502688
O 5.050012 2.000629 0.237638
N 2.381425 -1.077399 0.497012
N -1.379594 1.720821 0.184638
N 0.571810 0.367445 0.334295
N 2.824886 1.261051 0.279209
N 0.740262 2.740459 0.115925
C 3.741529 -1.398908 0.546195
C -2.414381 0.750158 0.262781
C 1.947477 0.245084 0.364401
C 0.007924 1.589074 0.213836
C 4.659909 -0.375043 0.460104
C -3.751065 1.235656 0.215553
C -2.189612 -0.646612 0.381093
C 4.080495 -2.861743 0.692318
C -4.845537 0.351432 0.285212
C -3.285388 -1.532837 0.451278
C 4.236729 1.031804 0.319563
C -4.601407 -1.032364 0.403383
H 1.656004 -1.794250 0.556705
H -1.714372 2.682233 0.094363
H 5.731485 -0.582217 0.494508
H -3.944136 2.312330 0.123826
H -1.161555 -1.007313 0.415558
H 5.171920 -3.000571 0.717814
H 3.679414 -3.453682 -0.152362
H 3.660312 -3.280213 1.626761
H -5.867856 0.737762 0.248220
H -3.106778 -2.608251 0.542502
H 0.320054 3.664437 0.024137
H 1.795971 2.553141 0.145946


