%chk=000063639.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063639

0 1
 Br   2.411300      -4.154300     -0.3832000    
 Br   7.477200      -1.691100      0.1834000    
 O  -0.5140000     -4.9899999E-02  1.6600000E-02
 O    3.666000       2.157200      0.2019000    
 O   -7.405100     -0.6904000     -0.9529000    
 O   -7.355500     -0.7896000       1.239600    
 N    1.547100       1.133200      6.1799999E-02
 N    1.406100      -1.238100     -0.1320000    
 N    1.463100       3.448900      0.5641000    
 N   -6.774900     -0.7973000      0.1270000    
 C    3.601600     -0.1696000      8.8200003E-02
 C    2.804400      -1.306000     -7.7299997E-02
 C   0.8447000     -7.4900001E-02 -4.4300001E-02
 C    2.951100       1.159900      0.1468000    
 C   0.8884000       2.382000     -2.6600000E-02
 C   -1.101800      -1.336200     -2.7400000E-02
 C    4.995200     -0.2806000      0.1660000    
 C   -2.595000      -1.194000      1.3700000E-02
 C    3.422500      -2.559100     -0.1634000    
 C    5.596200      -1.535600      7.9700001E-02
 C    4.811100      -2.674000     -8.6499996E-02
 C   -3.307500      -1.074700      -1.174100    
 C   -3.252200      -1.183300       1.238900    
 C  -0.3079000       2.416900     -0.7176000    
 C   -4.695600     -0.9429000      -1.136300    
 C   -4.640400      -1.051600       1.276500    
 C   -5.362000     -0.9314000      8.9000002E-02
 C  -0.9637000       3.639500     -0.8097000    
 C   0.7968000       4.620100      0.4538000    
 C  -0.4075000       4.766900     -0.2156000    
 H  -0.7792000      -1.942900      0.8297000    
 H  -0.8253000      -1.865200     -0.9498000    
 H    5.613100      0.6054000      0.2909000    
 H    5.283100      -3.652000     -0.1544000    
 H   -2.798000      -1.079500      -2.133800    
 H   -2.699400      -1.273800       2.169900    
 H  -0.7210000       1.612100      -1.311400    
 H   -5.224800     -0.8508000      -2.081300    
 H   -5.125800      -1.046000       2.249000    
 H   -1.891100       3.721200      -1.368900    
 H    1.273300       5.469000      0.9326000    
 H  -0.8974000       5.731700     -0.2809000    


%chk=000063639-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000063639

0 1
Br 1.435482 -4.188905 -0.618842
Br 6.238551 -2.346720 2.029281
O -0.592629 0.515290 -1.681869
O 3.191549 2.089733 0.546255
O -5.886341 -3.045622 2.107265
O -5.376808 -1.103450 3.188966
N 1.243434 1.271567 -0.493111
N 0.902849 -1.092073 -0.846170
N -0.494021 2.787047 0.130868
N -5.235901 -1.933992 2.209857
C 2.940087 -0.316093 0.309415
C 2.096635 -1.366428 -0.181791
C 0.535862 0.162535 -0.977437
C 2.524842 1.095504 0.152702
C 0.671731 2.610790 -0.541190
C -1.519246 -0.586052 -2.043189
C 4.166246 -0.592492 0.963274
C -2.458080 -0.931300 -0.898488
C 2.533779 -2.710576 0.017186
C 4.552431 -1.926946 1.131520
C 3.746006 -2.997103 0.664781
C -3.190461 -2.144700 -0.958876
C -2.637182 -0.054325 0.201267
C 1.358920 3.639833 -1.217522
C -4.106136 -2.482141 0.054668
C -3.545533 -0.382794 1.227073
C -4.271848 -1.589382 1.136380
C 0.788865 4.931404 -1.205911
C -1.037695 4.037489 0.124249
C -0.433541 5.136566 -0.526874
H -0.931780 -1.466955 -2.354996
H -2.070841 -0.172704 -2.904792
H 4.771034 0.245259 1.320772
H 4.062457 -4.033263 0.806853
H -3.037750 -2.834492 -1.797222
H -2.059443 0.876071 0.257362
H 2.307603 3.435263 -1.718254
H -4.680052 -3.411934 0.029915
H -3.699361 0.272702 2.088180
H 1.292262 5.759074 -1.715041
H -1.981014 4.151687 0.668831
H -0.907763 6.121827 -0.493644


