%chk=000044839.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044839

0 1
 Br   3.593200      5.8699999E-02 -0.8722000    
 Br  -4.439400     -7.1400002E-02  -1.101200    
 Br  -2.875100       1.630900       1.137200    
 Br  -2.850000      -1.601600       1.241500    
 O  -0.4155000     -6.0999999E-03 -4.1499998E-02
 O   0.8249000     -5.8800001E-02  -1.976400    
 C    1.936300      2.0900000E-02  0.2102000    
 C    1.914100       1.293700       1.087400    
 C    1.985500      -1.237000       1.107700    
 C   0.7532000     -2.0000000E-02 -0.7552000    
 C    1.900500       2.620500      0.3310000    
 C    2.145400      -2.568100      0.3759000    
 C   -1.616800     -4.0399998E-02 -0.8185000    
 C   -2.856400     -2.1299999E-02  7.4100003E-02
 H    2.782700       1.297800       1.759200    
 H    1.029200       1.270600       1.736800    
 H    1.066900      -1.290500       1.706300    
 H    2.811400      -1.149200       1.825900    
 H    2.822200       2.788200     -0.2319000    
 H    1.802800       3.447100       1.043000    
 H    1.054100       2.680100     -0.3597000    
 H    1.376500      -2.699300     -0.3913000    
 H    3.128300      -2.673200     -9.0700001E-02
 H    2.042200      -3.392300       1.090100    
 H   -1.603800     -0.9486000      -1.436200    
 H   -1.617500      0.8263000      -1.493300    


%chk=000044839-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000044839

0 1
Br 3.777602 0.064673 -0.799232
Br -4.422676 -0.137429 -1.110696
Br -2.829844 1.541559 1.229725
Br -2.724440 -1.747872 1.204470
O -0.352014 -0.012193 -0.054592
O 0.897048 -0.015698 -2.018646
C 2.012707 0.041246 0.248660
C 1.943295 1.334126 1.107093
C 1.997289 -1.229706 1.141848
C 0.864793 0.002554 -0.777743
C 1.859285 2.657915 0.323481
C 1.967614 -2.576694 0.394702
C -1.571445 -0.049117 -0.882124
C -2.776738 -0.094264 0.063697
H 2.828953 1.337057 1.769114
H 1.048073 1.231191 1.752190
H 1.099210 -1.146082 1.785786
H 2.882785 -1.178125 1.802143
H 2.731000 2.788908 -0.340171
H 1.830802 3.509368 1.026390
H 0.944000 2.706434 -0.295037
H 1.055684 -2.679473 -0.222098
H 2.844410 -2.690096 -0.265441
H 1.973263 -3.409009 1.120737
H -1.562840 -0.945380 -1.528174
H -1.622913 0.853105 -1.517881


