%chk=000054924.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054924

1 1
 Br   7.302800      -2.863900      -1.381400    
 Cl  7.8100003E-02   6.075700     -0.3848000    
 O   -4.608000     -0.2365000      -1.935600    
 O   -5.367500      -2.456900     -0.4521000    
 N   0.3856000     -0.4560000       1.417100    
 N    1.929800       1.332100     -0.4620000    
 C   0.1735000      -1.887200       1.826600    
 C  -0.5447000      0.2165000      0.8008000    
 C   -1.276800      -2.100900       2.238700    
 C   -1.825600     -0.4660000      0.4286000    
 C   -2.187000      -1.616100       1.147700    
 C    1.736200      0.1290000       1.693700    
 C  -0.3535000       1.663200      0.4803000    
 C    2.374900      0.4147000      0.3455000    
 C   -2.634900     -1.8100001E-02 -0.6211000    
 C   -3.388200      -2.270000      0.8565000    
 C   0.8353000       2.140800     -0.1037000    
 C   -3.824000     -0.6871000     -0.9158000    
 C   -4.204300      -1.804600     -0.1737000    
 C   -1.373900       2.560100      0.8365000    
 C    3.567000     -0.3795000     -7.3799998E-02
 C   0.9410000       3.513100     -0.3772000    
 C   -1.240600       3.920800      0.5677000    
 C  -8.6999997E-02   4.396500     -4.6100002E-02
 C    3.716900      -1.688900      0.3727000    
 C    4.521900      0.1954000     -0.9072000    
 C    4.831900      -2.430400     -1.7800000E-02
 C    5.637000     -0.5461000      -1.297800    
 C    5.791900      -1.859200     -0.8531000    
 C   -5.604700      0.7291000      -1.608000    
 C   -5.303300      -3.519500      -1.401200    
 H   0.8357000      -2.114400       2.667900    
 H   0.4553000      -2.506600      0.9678000    
 H   -1.506800      -1.551400       3.160100    
 H   -1.439400      -3.166700       2.436100    
 H    2.317700     -0.5587000       2.310900    
 H    1.606700       1.048500       2.274900    
 H   -2.352500      0.8398000      -1.224900    
 H   -3.683500      -3.147600       1.426300    
 H   -2.278000       2.213900       1.331200    
 H    1.847500       3.892300     -0.8469000    
 H   -2.044800       4.597400      0.8448000    
 H    2.981800      -2.176200       1.003400    
 H    4.426100       1.218900      -1.259200    
 H    4.935500      -3.454000      0.3334000    
 H    6.376900     -8.5600004E-02  -1.947500    
 H   -6.147600      0.9848000      -2.522000    
 H   -5.141900       1.637800      -1.210000    
 H   -6.314500      0.3198000     -0.8822000    
 H   -6.308700      -3.932200      -1.521800    
 H   -4.639700      -4.313200      -1.043800    
 H   -4.958300      -3.149500      -2.371800    


%chk=000054924-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054924

1 1
Br 7.396125 -2.994633 -1.328186
Cl 0.057281 6.148370 -0.548942
O -4.636681 -0.124535 -1.858428
O -5.238190 -2.690892 -0.458862
N 0.468808 -0.465514 1.471081
N 2.083760 1.417658 -0.265174
C 0.329586 -1.934411 1.721749
C -0.513688 0.221299 0.825451
C -1.101733 -2.246708 2.183529
C -1.748403 -0.488535 0.480001
C -2.077082 -1.716272 1.149569
C 1.746140 0.200120 1.826319
C -0.315470 1.646845 0.509707
C 2.516343 0.447295 0.516853
C -2.631014 0.001910 -0.526841
C -3.254158 -2.394445 0.815239
C 0.936986 2.177714 0.008983
C -3.815061 -0.674325 -0.856362
C -4.122504 -1.916637 -0.204643
C -1.418631 2.545705 0.668874
C 3.664426 -0.383614 0.110615
C 1.016207 3.555981 -0.343610
C -1.308902 3.910483 0.378307
C -0.081225 4.398460 -0.139023
C 4.202819 -1.406817 0.943051
C 4.268023 -0.156585 -1.162972
C 5.303172 -2.179211 0.523741
C 5.364598 -0.921008 -1.591958
C 5.877426 -1.932513 -0.743455
C -5.932199 0.422686 -1.368937
C -5.664721 -2.955165 -1.865820
H 1.065826 -2.216956 2.490379
H 0.569133 -2.480715 0.788233
H -1.289056 -1.783887 3.173032
H -1.212275 -3.336845 2.309833
H 2.283727 -0.423719 2.550590
H 1.522597 1.174037 2.299976
H -2.403671 0.912200 -1.088151
H -3.519430 -3.340036 1.298403
H -2.360724 2.164897 1.073739
H 1.953174 3.926831 -0.766415
H -2.148838 4.589597 0.544795
H 3.786484 -1.613684 1.934234
H 3.861477 0.633165 -1.801038
H 5.713135 -2.957802 1.172603
H 5.820089 -0.736491 -2.568648
H -6.454981 0.774756 -2.269368
H -5.748830 1.268573 -0.681820
H -6.528176 -0.355254 -0.857462
H -6.701759 -3.308536 -1.784342
H -5.021281 -3.754262 -2.272241
H -5.591359 -2.051376 -2.489486


