%chk=000080689.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080689

0 1
 Br  -1.863400      -4.557000      0.1386000    
 Br   2.745400      -4.153700      0.6165000    
 Br  -5.132400     -5.0799999E-02  -1.176100    
 Br   5.421500      0.8842000     -9.1600001E-02
 O   0.2831000      -2.466300     -2.7100001E-02
 O   -1.453800       2.123100       1.842700    
 O   -4.408000      -2.975300     -0.4920000    
 O    4.980000      -2.096600      0.4608000    
 O   0.8042000       2.190100       2.285100    
 C   0.1932000      0.3295000     -0.6097000    
 C   -1.028200     -0.5136000     -0.5853000    
 C    1.385400     -0.2730000     -0.3424000    
 C   0.1521000       1.766300     -0.9076000    
 C  -0.9180000      -1.871200     -0.2945000    
 C    1.451500      -1.712900     -3.9999999E-02
 C  -8.8000000E-03   2.705500      0.1038000    
 C   -2.307900      4.1999999E-03 -0.8455000    
 C    2.647000      0.4769000     -0.3429000    
 C   -2.043200      -2.701000     -0.2607000    
 C   0.2777000       2.164600      -2.233500    
 C    2.622600      -2.321900      0.2261000    
 C   -3.436500     -0.8198000     -0.8134000    
 C   -3.304000      -2.173300     -0.5210000    
 C    3.830500     -9.4899997E-02 -8.3400004E-02
 C    3.905600      -1.551400      0.2228000    
 C  -4.5000002E-02   4.063000     -0.2148000    
 C   0.2416000       3.522100      -2.552100    
 C   8.0100000E-02   4.471200      -1.542800    
 C  -0.1444000       2.320400       1.503600    
 C   -1.717500       1.741100       3.197000    
 C   -3.210500       1.570400       3.379300    
 H   -2.436200       1.059700      -1.076000    
 H    2.633400       1.540100     -0.5608000    
 H   0.4032000       1.437700      -3.032200    
 H  -0.1705000       4.812600      0.5624000    
 H   0.3390000       3.840100      -3.585900    
 H   5.1800001E-02   5.528200      -1.791000    
 H   -4.126100      -3.880200     -0.2731000    
 H   -1.206500      0.7964000       3.413300    
 H   -1.346500       2.519000       3.873400    
 H   -3.448500       1.276600       4.405300    
 H   -3.736200       2.502300       3.146700    
 H   -3.597000      0.8084000       2.694100    


%chk=000080689-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000080689

0 1
Br -2.564700 -4.226801 0.201239
Br 1.968409 -4.166506 1.219991
Br -5.341381 0.472204 -1.770890
Br 5.213835 0.644204 0.590721
O -0.208543 -2.274400 0.199213
O -0.738299 1.645521 1.785590
O -4.935562 -2.422854 -0.860580
O 4.489140 -2.312279 1.249919
O -1.178080 3.921506 1.963383
C -0.051007 0.485413 -0.533425
C -1.307662 -0.234858 -0.630313
C 1.100751 -0.193260 -0.110379
C 0.009273 1.918670 -0.972269
C -1.342730 -1.611587 -0.252452
C 1.025480 -1.597772 0.272178
C -0.360948 3.029752 -0.153559
C -2.518856 0.364294 -1.081148
C 2.392163 0.449559 0.003562
C -2.537555 -2.352107 -0.320508
C 0.435822 2.166224 -2.303304
C 2.125566 -2.305497 0.720978
C -3.705127 -0.369456 -1.151744
C -3.738411 -1.744641 -0.771600
C 3.493567 -0.244125 0.445572
C 3.462470 -1.684897 0.842569
C -0.298497 4.344599 -0.688127
C 0.495314 3.477420 -2.822877
C 0.122901 4.573243 -2.011516
C -0.802264 2.937374 1.278892
C -1.135222 1.475168 3.221934
C -0.981665 -0.005378 3.551535
H -2.514833 1.416052 -1.377642
H 2.470925 1.505565 -0.267023
H 0.720180 1.316622 -2.933448
H -0.586123 5.172309 -0.031911
H 0.829946 3.638914 -3.852947
H 0.165064 5.593674 -2.405577
H -4.824156 -3.370956 -0.572839
H -0.477629 2.118969 3.832862
H -2.173891 1.834291 3.334058
H -1.254162 -0.177339 4.608451
H -1.643417 -0.625396 2.922192
H 0.059713 -0.340642 3.407337


