%chk=000030578.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000030578

0 1
 Br   2.064500      -5.086800      0.1601000    
 O    1.864800      -1.752200      0.4882000    
 C   -3.963800      0.6985000     -0.5389000    
 C   -3.795200       2.062500      0.1530000    
 C   -5.188800     -5.1399998E-02  1.2800000E-02
 C   -5.067600       2.901900      5.0000001E-02
 C   -6.455500      0.7968000     -8.9500003E-02
 C   -6.282100       2.152100      0.5897000    
 C   -2.701000     -0.1391000     -0.4506000    
 C    3.538100      5.5999998E-03  0.4042000    
 C    4.351600      0.8651000     -0.5863000    
 C   -2.216400     -0.5406000      0.7943000    
 C   -2.024900     -0.5070000      -1.613800    
 C    2.485800     -0.8051000     -0.3701000    
 C  -0.3799000      -1.678000     -0.2874000    
 C    2.921300      0.8034000       1.575000    
 C   0.8786000      -2.511000     -0.1986000    
 C    5.527100       1.602500      6.3500002E-02
 C   -1.056000      -1.310000      0.8759000    
 C  -0.8644000      -1.276400      -1.532300    
 C    6.317100       2.465400     -0.9243000    
 C    1.952300       1.905000       1.167800    
 C   0.6245000      -3.821500      0.5377000    
 C    7.469800       3.220400     -0.2806000    
 H   -4.162700      0.9002000      -1.601500    
 H   -3.545200       1.932900       1.213600    
 H   -2.960400       2.612800     -0.2988000    
 H   -5.335100     -0.9890000     -0.5377000    
 H   -5.035400     -0.3276000       1.063600    
 H   -4.936600       3.838300      0.6040000    
 H   -5.241800       3.173200     -0.9985000    
 H   -6.709500      0.9474000      -1.146000    
 H   -7.295300      0.2607000      0.3670000    
 H   -7.184000       2.756600      0.4413000    
 H   -6.169300       2.006100       1.671100    
 H    4.226300     -0.7186000      0.8628000    
 H    3.694800       1.587300      -1.085800    
 H    4.750100      0.2166000      -1.377300    
 H   -2.725500     -0.2640000       1.713200    
 H   -2.389100     -0.2018000      -2.591100    
 H    2.983300      -1.348000      -1.183900    
 H    1.748100     -0.1323000     -0.8192000    
 H    3.718200       1.240700       2.186700    
 H    2.392100      0.1100000       2.240800    
 H    1.231600      -2.745500      -1.212600    
 H    6.201000      0.8730000      0.5289000    
 H    5.162400       2.256700      0.8626000    
 H  -0.6888000      -1.606800       1.854500    
 H  -0.3479000      -1.554200      -2.447200    
 H    6.712600       1.830000      -1.725500    
 H    5.641400       3.188800      -1.396100    
 H    1.095000       1.507700      0.6174000    
 H    2.441400       2.665000      0.5523000    
 H    1.564500       2.405400       2.061500    
 H  -0.2909000      -4.320700      0.2057000    
 H   0.6153000      -3.705600       1.625400    
 H    7.106300       3.896500      0.4997000    
 H    8.185700       2.527000      0.1719000    
 H    7.999300       3.817300      -1.029700    


%chk=000030578-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000030578

0 1
Br 2.208423 -5.103383 0.030413
O 1.954510 -1.797280 0.230146
C -4.197870 0.543748 -0.586387
C -3.959389 2.075325 -0.433310
C -5.207431 0.048712 0.490803
C -5.285584 2.869999 -0.483442
C -6.532957 0.844371 0.437127
C -6.287294 2.364900 0.581788
C -2.889567 -0.241632 -0.557214
C 3.645391 -0.037098 0.323417
C 4.361515 1.061585 -0.509906
C -2.053684 -0.240815 0.592777
C -2.460557 -0.983729 -1.686714
C 2.510244 -0.652868 -0.514800
C -0.418456 -1.693030 -0.522925
C 3.142555 0.450217 1.712817
C 0.889224 -2.494258 -0.491783
C 5.604044 1.669722 0.178599
C -0.838635 -0.954473 0.612236
C -1.242295 -1.699172 -1.672958
C 6.371290 2.658421 -0.729261
C 2.169840 1.651685 1.683467
C 0.653592 -3.815854 0.247497
C 7.606232 3.275430 -0.037827
H -4.671010 0.382551 -1.579009
H -3.453552 2.268264 0.535191
H -3.269422 2.423441 -1.226260
H -5.398999 -1.032692 0.350503
H -4.752523 0.163408 1.496376
H -5.083204 3.949249 -0.340261
H -5.739996 2.761265 -1.490474
H -7.037680 0.648458 -0.532024
H -7.218166 0.488575 1.230958
H -7.244002 2.916377 0.500131
H -5.881056 2.574673 1.593279
H 4.376201 -0.852177 0.511389
H 3.646427 1.873533 -0.756921
H 4.675646 0.622398 -1.480622
H -2.354392 0.326404 1.481994
H -3.084820 -0.993960 -2.588771
H 2.906899 -1.013384 -1.489821
H 1.709443 0.089855 -0.719236
H 4.019603 0.709453 2.337191
H 2.650695 -0.407088 2.209613
H 1.209329 -2.706622 -1.535921
H 6.288550 0.852630 0.489523
H 5.303286 2.194694 1.107623
H -0.192110 -0.929209 1.497252
H -0.928184 -2.258041 -2.564134
H 6.687035 2.133601 -1.654165
H 5.683126 3.467051 -1.051192
H 1.258442 1.427810 1.098626
H 2.639049 2.552077 1.245552
H 1.848612 1.912517 2.708985
H -0.217927 -4.354563 -0.151420
H 0.558212 -3.653549 1.331985
H 7.314225 3.831629 0.873085
H 8.323446 2.489603 0.266003
H 8.137478 3.977446 -0.706689


