%chk=000127218.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127218

0 1
 Br  -7.400300      3.1399999E-02  -1.947700    
 O    4.196600       1.024700      -1.692900    
 N    5.315300     -3.9000001E-02  4.4700000E-02
 C    7.281300      -1.545200     -0.1791000    
 C    6.570800     -0.2501000     -0.6402000    
 C    7.694300      -1.526900       1.295800    
 C    6.419800      -2.781700     -0.4596000    
 C    7.454100      0.9884000     -0.5037000    
 C    4.230900      0.5851000     -0.5481000    
 C   -2.789300       1.319100      0.7623000    
 C   -4.103100     -0.7050000      0.6046000    
 C   -5.002000     -4.0100001E-02 -0.2630000    
 C   -1.594000       2.053500       1.316200    
 C   -2.995000     -7.0000002E-03   1.111900    
 C   -3.659900       1.981200     -8.4700003E-02
 C    3.066700      0.6690000      0.3775000    
 C   -4.766100       1.303300     -0.5978000    
 C   -4.339000      -2.048300      0.9398000    
 C   -6.110100     -0.7382000     -0.7703000    
 C  -0.3850000       1.927000      0.4339000    
 C    1.925100       1.243700     -2.6300000E-02
 C   0.7627000       1.354100      0.8270000    
 C   -5.445000      -2.726500      0.4265000    
 C   -6.328600      -2.072700     -0.4269000    
 H    8.199100      -1.649200     -0.7736000    
 H    6.344700     -0.3623000      -1.709000    
 H    8.222800      -2.451600       1.553700    
 H    8.375400     -0.6984000       1.511400    
 H    6.832000      -1.446200       1.964500    
 H    6.131600      -2.823800      -1.515200    
 H    6.974600      -3.697900     -0.2303000    
 H    5.506300      -2.785300      0.1441000    
 H    6.979300       1.855500     -0.9767000    
 H    7.625900       1.252900      0.5449000    
 H    8.424300      0.8347000     -0.9870000    
 H    5.252500     -0.3165000       1.019400    
 H   -1.835800       3.118000       1.430800    
 H   -1.384300       1.694800       2.332600    
 H   -2.296200     -0.5081000       1.779000    
 H   -3.496800       3.019700     -0.3590000    
 H   -5.420900       1.863600      -1.258500    
 H    3.168600      0.2556000       1.376200    
 H   -3.661400      -2.579400       1.605200    
 H  -0.4648000       2.344900     -0.5677000    
 H    1.836800       1.653400      -1.029300    
 H   -5.615700      -3.765300      0.6937000    
 H   0.8403000      0.9452000       1.831400    
 H   -7.183000      -2.622700     -0.8138000    


%chk=000127218-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000127218

0 1
Br -8.212132 -0.217556 0.114660
O 4.295480 0.286300 -1.745794
N 5.526540 0.250830 0.241257
C 7.165380 -1.654154 0.014408
C 6.795742 -0.184513 -0.376701
C 7.352869 -1.850384 1.538430
C 6.122267 -2.651226 -0.540427
C 7.918079 0.829387 -0.057529
C 4.359014 0.469831 -0.485599
C -2.868845 1.511358 0.419767
C -3.933056 -0.706632 0.147765
C -5.250293 -0.090772 0.189093
C -1.630810 2.395865 0.589558
C -2.771447 0.124965 0.266908
C -4.174603 2.105579 0.452280
C 3.201436 0.935095 0.331281
C -5.329289 1.331566 0.343330
C -3.816478 -2.126973 -0.007219
C -6.385206 -0.962443 0.069228
C -0.397971 1.897369 -0.127448
C 1.986955 1.190652 -0.246495
C 0.805996 1.646013 0.473122
C -4.953418 -2.927063 -0.118957
C -6.258500 -2.342338 -0.080856
H 8.139349 -1.858381 -0.479196
H 6.596837 -0.168804 -1.464891
H 7.671352 -2.886295 1.755351
H 8.117831 -1.173038 1.960210
H 6.400876 -1.683746 2.079318
H 6.006295 -2.545254 -1.633950
H 6.417521 -3.693960 -0.320166
H 5.131069 -2.473052 -0.083874
H 7.656706 1.827749 -0.449609
H 8.094753 0.924483 1.030687
H 8.867991 0.512301 -0.525210
H 5.522042 0.436512 1.246287
H -1.880684 3.412826 0.221026
H -1.408171 2.509100 1.670234
H -1.783432 -0.350681 0.237520
H -4.261344 3.193359 0.563792
H -6.314133 1.807884 0.371138
H 3.341596 1.070603 1.414002
H -2.816988 -2.575332 -0.037738
H -0.496209 1.739899 -1.212530
H 1.912317 1.037438 -1.333356
H -4.862775 -4.011695 -0.237565
H 0.900938 1.793819 1.560243
H -7.145948 -2.975094 -0.169084


