%chk=000037233.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000037233

0 1
 Br   1.944300       2.928700      0.4347000    
 Br   6.590400     -0.4543000      0.2003000    
 O   0.6189000      3.5599999E-02  4.0399998E-02
 O   -1.911400     -0.4504000     -0.1088000    
 O    4.946600       2.141000      0.4506000    
 O   -1.616400      -2.709600     -0.3700000    
 N   -5.453300      0.5806000     -0.1298000    
 C   -4.007100      0.7183000     -4.3600000E-02
 C   -5.953200     -0.3072000      0.9228000    
 C   -6.104900       1.889500     -3.8400002E-02
 C   -3.329700     -0.6357000     -0.1821000    
 C    2.508100      -1.200400     -3.8500000E-02
 C    1.391700      -2.065700     -0.1826000    
 C   0.2727000      -1.267300     -0.1277000    
 C    1.979800      7.9400003E-02  9.5399998E-02
 C   -7.453400     -0.5133000      0.8006000    
 C   -5.602700       2.829600      -1.121100    
 C   -1.114800      -1.575400     -0.2156000    
 C    3.904900      -1.357200     -6.3000000E-03
 C    2.749700       1.229400      0.2612000    
 C    1.425600      -3.531100     -0.3564000    
 C    4.135900       1.050300      0.2908000    
 C    4.705700     -0.2187000      0.1593000    
 C    5.372500       2.803700     -0.7351000    
 H   -3.693700       1.195700      0.8947000    
 H   -3.603800       1.337800     -0.8522000    
 H   -5.536300      -1.312900      0.8262000    
 H   -5.706200      6.2399998E-02   1.925800    
 H   -7.182900       1.795800     -0.2051000    
 H   -5.959300       2.351500      0.9463000    
 H   -3.582900      -1.101000      -1.142200    
 H   -3.582900      -1.315600      0.6350000    
 H   -8.024400      0.3586000       1.134300    
 H   -7.747800     -0.7611000     -0.2251000    
 H   -7.762500      -1.349000       1.438800    
 H   -6.265000       3.700500      -1.184600    
 H   -5.599800       2.351900      -2.106900    
 H   -4.601900       3.217900     -0.9080000    
 H    4.347800      -2.343800     -0.1082000    
 H   0.8900000      -4.028000      0.4592000    
 H   0.9548000      -3.817600      -1.302700    
 H    2.448700      -3.919300     -0.3652000    
 H    4.531400       3.296400      -1.231100    
 H    5.851200       2.109700      -1.432800    
 H    6.102200       3.568400     -0.4543000    


%chk=000037233-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000037233

0 1
Br 2.316640 3.065748 0.521160
Br 6.743356 -0.730741 0.257682
O 0.719144 0.264571 -0.020658
O -1.927605 -0.226821 -0.237866
O 5.292281 2.002089 0.627383
O -1.595428 -2.515110 -0.622527
N -5.541771 0.669899 0.181278
C -4.066900 0.801263 0.269832
C -6.119152 -0.112415 1.309360
C -6.240727 1.960163 -0.058873
C -3.403918 -0.417109 -0.383866
C 2.556795 -1.148120 -0.114931
C 1.368350 -1.961772 -0.313496
C 0.289915 -1.080402 -0.250222
C 2.110514 0.195328 0.057360
C -7.443666 -0.808958 0.943716
C -6.072201 2.474351 -1.501048
C -1.142619 -1.360676 -0.390603
C 3.942903 -1.435519 -0.061104
C 2.989727 1.266957 0.273254
C 1.324505 -3.446752 -0.540508
C 4.380922 0.988438 0.323656
C 4.825008 -0.366369 0.153848
C 5.852825 2.731455 -0.537128
H -3.705418 0.902381 1.319683
H -3.741707 1.709337 -0.266572
H -5.382885 -0.887001 1.595197
H -6.264566 0.529983 2.214587
H -7.316955 1.796367 0.130511
H -5.907499 2.746005 0.665525
H -3.647493 -0.471745 -1.458907
H -3.693670 -1.369774 0.093565
H -8.232571 -0.082960 0.676136
H -7.293338 -1.480490 0.080744
H -7.814866 -1.404822 1.798378
H -6.629431 3.419393 -1.641449
H -6.454668 1.726888 -2.217664
H -5.013290 2.673079 -1.747847
H 4.320783 -2.454085 -0.178854
H 0.702607 -3.947323 0.221974
H 0.861249 -3.686210 -1.513933
H 2.337060 -3.882982 -0.514196
H 5.046780 3.230452 -1.105650
H 6.416960 2.040767 -1.190318
H 6.530620 3.481342 -0.104611


