%chk=000063583.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063583

0 1
 Br   5.991700      -1.583400       1.716500    
 Br   6.659100       3.946400      0.7020000    
 O    1.773300       2.431900      -1.068900    
 N    1.447800      0.1466000     -0.5967000    
 N    3.202500      -1.065200      0.4810000    
 N   -3.582200      0.2236000      0.7647000    
 N   -4.528700       1.112800      -1.039100    
 C   0.1883000      0.1279000      -1.295100    
 C    2.006200      -1.015400     -2.1199999E-02
 C   -2.208200      0.3354000      -1.270200    
 C    2.152200       1.368900     -0.5825000    
 C    3.501300       1.317700      1.9600000E-02
 C  -0.9887000      0.3539000     -0.5932000    
 C   -3.437000      0.5677000     -0.5506000    
 C    3.979100      9.7300000E-02  0.4975000    
 C    1.194400      -2.249300      0.1107000    
 C   0.1667000     -0.1162000      -2.662200    
 C   -4.851900      0.5695000       1.150400    
 C   -2.240300      9.0999998E-02  -2.643100    
 C   -5.422300       1.122400      7.1999999E-03
 C   -1.052800     -0.1347000      -3.339000    
 C    4.297300       2.468200      7.9099998E-02
 C    5.268800      3.9600000E-02   1.039100    
 C   0.3887000      -2.429000       1.229900    
 C    1.244600      -3.215900     -0.8878000    
 C    5.579700       2.396800      0.6214000    
 C   -5.529600      0.4499000       2.364100    
 C    6.066300       1.183000       1.100000    
 C   -6.746800       1.588800      5.9599999E-02
 C   -6.846800      0.9193000       2.398500    
 C   -7.446600       1.478900       1.267800    
 C  -0.3759000      -3.589200       1.352000    
 C   0.4800000      -4.376200     -0.7657000    
 C  -0.3303000      -4.562900      0.3542000    
 H  -0.9368000      0.5576000      0.4739000    
 H    1.086800     -0.2942000      -3.212100    
 H   -3.180100      6.8700001E-02  -3.189600    
 H   -2.891500     -0.2212000       1.355000    
 H   -1.077500     -0.3262000      -4.407800    
 H    3.924100       3.417300     -0.2979000    
 H   0.3462000      -1.675800       2.011900    
 H    1.872700      -3.079200      -1.764000    
 H   -5.062000      1.5100000E-02   3.240200    
 H    7.067500       1.129300       1.522200    
 H   -7.221600       2.025100     -0.8133000    
 H   -7.413900      0.8466000       3.323200    
 H   -8.472000       1.834900       1.325400    
 H   -1.007400      -3.734000       2.223600    
 H   0.5153000      -5.134100      -1.542800    
 H  -0.9260000      -5.466000      0.4491000    


%chk=000063583-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000063583

0 1
Br 5.108707 -1.042910 3.159131
Br 7.131884 3.607795 0.378189
O 2.390765 1.986128 -2.049799
N 1.615629 0.082539 -0.883233
N 2.916000 -0.886809 0.902403
N -3.409925 0.383381 0.819585
N -4.571863 0.785335 -1.103940
C 0.321290 0.210052 -1.544755
C 1.875077 -0.933194 0.076208
C -2.111094 0.450163 -1.359718
C 2.578646 1.133541 -1.139500
C 3.738409 1.144177 -0.225266
C -0.837476 0.322988 -0.748846
C -3.350875 0.541564 -0.577881
C 3.830935 0.155119 0.806143
C 0.993426 -2.133331 0.177156
C 0.241705 0.262087 -2.952964
C -4.746096 0.534386 1.212135
C -2.193000 0.498360 -2.778616
C -5.460185 0.787149 -0.011800
C -1.025831 0.411670 -3.560394
C 4.707095 2.168382 -0.366505
C 4.930779 0.252120 1.715513
C 0.825124 -2.723230 1.459474
C 0.395649 -2.754038 -0.952851
C 5.771359 2.212177 0.541125
C -5.387736 0.478154 2.466119
C 5.894465 1.264263 1.591022
C -6.859500 0.993737 0.017987
C -6.783791 0.686162 2.471792
C -7.507559 0.940079 1.268112
C 0.047456 -3.888668 1.613969
C -0.368428 -3.928982 -0.795953
C -0.556027 -4.494655 0.486695
H -0.724578 0.314320 0.340994
H 1.150716 0.206395 -3.556405
H -3.181431 0.610303 -3.233922
H -2.629925 0.159008 1.433569
H -1.097336 0.460744 -4.651680
H 4.587362 2.897990 -1.171848
H 1.329217 -2.264285 2.315544
H 0.536688 -2.337029 -1.953677
H -4.841848 0.286020 3.395660
H 6.730345 1.319256 2.292590
H -7.407972 1.188748 -0.908262
H -7.325972 0.653349 3.423177
H -8.590255 1.096587 1.322564
H -0.080252 -4.328798 2.608811
H -0.817166 -4.402579 -1.675505
H -1.158904 -5.401716 0.604650


