%chk=000163754.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000163754

0 1
 Br  -2.049500      -3.903400       1.393300    
 C   0.6236000     -0.2235000     -8.0399998E-02
 C  -0.2752000      0.8654000     -1.1900000E-02
 C   -1.670900      0.6348000     -6.3400000E-02
 C    2.019400      7.1000000E-03 -2.8899999E-02
 C   0.1287000      -1.540200     -0.2003000    
 C   -2.164100     -0.6839000     -0.1835000    
 C   0.2198000       2.182100      0.1080000    
 C   -1.257800      -1.753500     -0.2503000    
 C    2.512500       1.325800      9.1300003E-02
 C   -2.570700       1.724100      5.2000000E-03
 C    2.919100      -1.082200     -9.7400002E-02
 C    1.606300       2.395400      0.1580000    
 C    1.034300      -2.607600     -0.2670000    
 C  -0.6859000       3.249700      0.1747000    
 C    2.411100      -2.382100     -0.2163000    
 C   -2.062700       3.024100      0.1241000    
 C   -3.550000     -0.8954000     -0.2333000    
 C   -1.783500      -3.157800     -0.3788000    
 C    3.898400       1.537300      0.1412000    
 C   -3.950500       1.479900     -4.7100000E-02
 C    4.299000     -0.8380000     -4.5000002E-02
 C   -4.435500      0.1789000     -0.1656000    
 C    4.783900      0.4630000      7.3500000E-02
 H    1.987000       3.412600      0.2506000    
 H   0.7360000      -3.647500     -0.3388000    
 H  -0.3280000       4.273100      0.2673000    
 H    3.084000      -3.235900     -0.2664000    
 H   -2.734600       3.878200      0.1787000    
 H   -4.008600      -1.875000     -0.3041000    
 H   -1.130500      -3.836300     -0.9311000    
 H   -2.728700      -3.238600     -0.9191000    
 H    4.301900       2.543500      0.2334000    
 H   -4.661200       2.301900      5.1000002E-03
 H    5.009600      -1.660200     -9.6000001E-02
 H   -5.506800      2.2000000E-03 -0.2004000    
 H    5.854900      0.6405000      0.1132000    


%chk=000163754-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000163754

0 1
Br -2.245790 -4.248063 1.204362
C 0.632932 -0.234520 -0.081395
C -0.280583 0.869977 -0.031939
C -1.693213 0.636581 -0.064424
C 2.045904 0.006658 -0.026087
C 0.121609 -1.591466 -0.197690
C -2.206683 -0.712247 -0.177494
C 0.233993 2.226821 0.069005
C -1.280632 -1.821578 -0.289597
C 2.549787 1.360340 0.067410
C -2.606772 1.755602 0.013937
C 2.978145 -1.093466 -0.061403
C 1.621425 2.443420 0.111597
C 1.089712 -2.675069 -0.205244
C -0.709328 3.327352 0.130151
C 2.447937 -2.437983 -0.139403
C -2.068303 3.100106 0.106636
C -3.626176 -0.896244 -0.161761
C -1.800819 -3.191551 -0.547660
C 3.963599 1.575139 0.115538
C -4.000810 1.519829 0.003141
C 4.369320 -0.835628 -0.008080
C -4.500703 0.198366 -0.072814
C 4.856425 0.493089 0.077705
H 2.004136 3.468820 0.186125
H 0.735668 -3.709333 -0.227082
H -0.313295 4.346869 0.201344
H 3.153577 -3.276989 -0.135481
H -2.775555 3.935940 0.159613
H -4.048054 -1.904723 -0.183549
H -1.087440 -3.858964 -1.044082
H -2.761039 -3.210653 -1.076440
H 4.341513 2.601735 0.183951
H -4.691473 2.368563 0.064867
H 5.071835 -1.676658 -0.032270
H -5.581933 0.025177 -0.055550
H 5.935885 0.673252 0.116562


