%chk=000044403.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044403

0 1
 Br -0.3384000       2.407000     -0.6672000    
 O   -1.115300      -1.494300      0.1901000    
 O    4.315600      -1.187200     -0.3018000    
 N    3.980400       1.399500      0.1769000    
 C    2.149200     -0.1524000     -0.3417000    
 C   0.7573000     -0.2932000     -0.2030000    
 C    2.807600       1.154300     -0.6602000    
 C   0.2430000      -1.551100      9.4400004E-02
 C  -0.3652000      0.5719000     -0.2908000    
 C    2.959500      -1.283900     -0.1747000    
 C   -1.473600     -0.2050000     -4.4700000E-02
 C    1.022500      -2.693600      0.2658000    
 C    2.403700      -2.530600      0.1235000    
 C   -2.887000      4.8300002E-02  1.5400000E-02
 C    3.603800       1.427900       1.590000    
 C    4.628200       2.654400     -0.2041000    
 C   -3.672400     -6.8300001E-02  -1.134800    
 C   -3.484000      0.4137000       1.225000    
 C   -5.044000      0.1788000      -1.075900    
 C   -4.855500      0.6607000       1.284100    
 C   -5.635500      0.5432000      0.1336000    
 H    3.102200       1.120400      -1.717900    
 H    2.150600       2.007200     -0.5518000    
 H   0.5841000      -3.657000      0.4971000    
 H    3.051400      -3.395500      0.2490000    
 H    3.238700      0.4640000       1.957300    
 H    2.841400       2.188100       1.799100    
 H    4.480400       1.658900       2.207400    
 H    4.938800       2.623600      -1.254400    
 H    5.538100       2.811500      0.3858000    
 H    3.972600       3.521400     -6.3000001E-02
 H   -3.226900     -0.3515000      -2.085700    
 H   -2.890300      0.5100000       2.131200    
 H    4.568900     -0.3375000     -0.6942000    
 H   -5.651400      8.7499999E-02  -1.971600    
 H   -5.316300      0.9447000       2.225700    
 H   -6.703400      0.7356000      0.1796000    


%chk=000044403-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000044403

0 1
Br -0.451019 2.410742 -0.877581
O -1.223142 -1.455851 0.474471
O 4.318399 -1.155097 0.195048
N 4.145218 1.377722 -0.016456
C 2.131501 -0.111038 -0.136303
C 0.716052 -0.252384 -0.026981
C 2.841604 1.100645 -0.727370
C 0.185690 -1.492275 0.440747
C -0.466059 0.562708 -0.285642
C 2.933991 -1.231318 0.253535
C -1.618893 -0.167349 0.016381
C 0.961299 -2.600801 0.803372
C 2.355867 -2.453001 0.710486
C -3.068168 0.053572 0.003322
C 3.925608 1.911129 1.356768
C 5.032613 2.257005 -0.819443
C -3.681155 1.130446 -0.699037
C -3.905941 -0.859707 0.711250
C -5.081969 1.292315 -0.679264
C -5.303833 -0.691969 0.724974
C -5.902282 0.387566 0.032975
H 3.106222 0.887530 -1.783104
H 2.200085 2.001615 -0.721558
H 0.497722 -3.530076 1.145009
H 3.034621 -3.266236 0.981562
H 3.269383 1.222975 1.914454
H 3.452260 2.916953 1.337745
H 4.892666 1.979614 1.883278
H 5.248435 1.779154 -1.790411
H 5.985863 2.404885 -0.284068
H 4.575728 3.254043 -1.006888
H -3.070702 1.833037 -1.270765
H -3.446371 -1.695243 1.246266
H 4.538890 -0.111743 0.091941
H -5.533638 2.125962 -1.228262
H -5.927934 -1.402810 1.277718
H -6.989811 0.518778 0.045330


