%chk=000096870.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096870

0 1
 Br  -3.678600       1.282000       3.161200    
 Br  -5.395600     -0.7346000      -1.935100    
 Br -0.4837000      -4.840900       1.265100    
 Br   4.227300      -2.596900      -1.210200    
 O    2.266100       1.284600       1.228100    
 O   0.3905000       2.580100       1.549300    
 O   -5.635600      0.3434000      0.9556000    
 O    2.391500      -4.615500      0.2039000    
 C  -0.2903000      4.4999998E-03 -0.7121000    
 C   0.4287000       1.113400      -1.392600    
 C   -1.706600      9.5200002E-02 -0.2700000    
 C   0.3746000      -1.140700     -0.4847000    
 C    1.123100       2.052300     -0.6573000    
 C   0.3698000       1.159000      -2.772000    
 C    1.786600       3.079900      -1.328000    
 C   -2.702100     -0.2878000      -1.144400    
 C   -1.979700      0.5589000      0.9998000    
 C    1.195600       2.018100      0.7987000    
 C    2.851100       1.670200       2.476600    
 C  -0.2884000      -2.250500      0.1773000    
 C    1.760100      -1.274900     -0.8994000    
 C    1.033400       2.186600      -3.442400    
 C    1.741800       3.147100      -2.720500    
 C   -3.309000      0.6437000       1.414300    
 C   -4.031300     -0.2031000     -0.7300000    
 C   0.3531000      -3.404300      0.4155000    
 C    2.445800      -2.407500     -0.6844000    
 C   -4.334700      0.2627000      0.5493000    
 C    3.313700       3.116500       2.387500    
 C    3.998800      0.7272000       2.804100    
 C    1.783900      -3.568600     -3.5000001E-03
 H  -0.1776000      0.4175000      -3.347400    
 H    2.342100       3.834600     -0.7771000    
 H   -2.458700     -0.6511000      -2.139900    
 H   -1.186000      0.8055000       1.694400    
 H    2.094100       1.570000       3.264200    
 H   -1.321100      -2.182500      0.5000000    
 H    2.284100     -0.4655000      -1.395100    
 H   0.9987000       2.238800      -4.526700    
 H    2.258400       3.947000      -3.242600    
 H    3.856600       3.408600       3.292500    
 H    2.479700       3.814500       2.269300    
 H    3.974700       3.262800       1.525900    
 H    4.459200      0.9759000       3.765000    
 H    3.641300     -0.3075000       2.843600    
 H    4.767800      0.7632000       2.024700    
 H   -5.653400      0.6853000       1.866200    


%chk=000096870-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000096870

0 1
Br -4.726831 3.017857 0.939831
Br -5.323491 -2.423448 -0.992583
Br -0.141033 -4.649705 2.063142
Br 4.168000 -2.607095 -1.316699
O 3.056912 1.666760 1.005013
O 0.888040 1.178511 1.728467
O -6.150330 0.316283 0.113865
O 2.616012 -4.539703 0.590223
C -0.478261 0.017088 -0.612633
C 0.169555 1.231335 -1.196393
C -1.938931 0.085210 -0.405704
C 0.282341 -1.136207 -0.324417
C 1.284698 1.880729 -0.579170
C -0.299089 1.728779 -2.441825
C 1.936420 2.951230 -1.238423
C -2.793742 -1.015592 -0.710903
C -2.528796 1.292617 0.068572
C 1.687980 1.528081 0.823401
C 3.606596 1.358112 2.384892
C -0.225225 -2.193828 0.539136
C 1.633074 -1.293497 -0.848275
C 0.343462 2.807757 -3.085046
C 1.473303 3.413577 -2.488468
C -3.913050 1.365331 0.250717
C -4.181698 -0.917799 -0.535870
C 0.540640 -3.294887 0.842575
C 2.384619 -2.407151 -0.556629
C -4.779610 0.273683 -0.041927
C 3.496927 2.623065 3.246437
C 5.036980 0.874317 2.145256
C 1.915371 -3.518183 0.315901
H -1.154726 1.239467 -2.919264
H 2.795444 3.422141 -0.752203
H -2.370046 -1.933221 -1.127995
H -1.890944 2.141780 0.325033
H 2.971805 0.555514 2.803514
H -1.201401 -2.065593 1.013436
H 2.031319 -0.530768 -1.522909
H -0.028691 3.165124 -4.050916
H 1.981677 4.245361 -2.987047
H 3.907811 2.423207 4.252897
H 2.444367 2.931987 3.362365
H 4.071373 3.452930 2.797698
H 5.501746 0.594861 3.108031
H 5.047500 -0.009671 1.485162
H 5.648351 1.667788 1.680418
H -6.436627 1.203063 0.466017


