%chk=000087786.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000087786

0 1
 Br   4.847900       1.500900      3.8500000E-02
 Cl  -5.358100     -0.6745000     -0.1131000    
 O  -0.7887000     -0.5141000     -0.1462000    
 O   -3.647400       1.578000      0.1957000    
 C   0.5357000     -0.1938000     -0.1240000    
 C    1.591400      -1.092300     -0.2677000    
 C   0.6966000       1.175100      6.4800002E-02
 C    1.395300      -2.554900     -0.4683000    
 C  -0.6158000       1.708000      0.1618000    
 C   -1.477400      0.6440000      2.7600000E-02
 C    2.879600     -0.5514000     -0.2141000    
 C    2.000900       1.697300      0.1154000    
 C    3.083300      0.8181000     -2.6200000E-02
 C    1.342100      -3.322200      0.8511000    
 C   -2.898700      0.5763000      4.2300001E-02
 C   -3.586900     -0.7946000     -0.1376000    
 H   0.4655000      -2.731700      -1.022800    
 H    2.199400      -2.960300      -1.094800    
 H  -0.8932000       2.742400      0.3111000    
 H    3.737100      -1.214200     -0.3195000    
 H    2.156700       2.762400      0.2616000    
 H    2.272800      -3.202600       1.416000    
 H    1.193100      -4.389800      0.6617000    
 H   0.5181000      -2.969200       1.480500    
 H   -3.293600      -1.222000      -1.100400    
 H   -3.283700      -1.459500      0.6758000    


%chk=000087786-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000087786

0 1
Br 4.934768 1.616705 -0.033295
Cl -5.400147 -0.831670 -0.007483
O -0.765660 -0.577775 -0.142193
O -3.640497 1.624624 0.277488
C 0.597788 -0.221418 -0.135558
C 1.674316 -1.114480 -0.308324
C 0.731737 1.185778 0.065199
C 1.475714 -2.608226 -0.488721
C -0.608509 1.713481 0.185750
C -1.484123 0.643516 0.058449
C 2.954459 -0.512155 -0.270738
C 2.028950 1.764128 0.102148
C 3.111249 0.888342 -0.067856
C 1.127461 -3.326333 0.843354
C -2.957528 0.581867 0.097340
C -3.547569 -0.820150 -0.098667
H 0.660263 -2.787051 -1.214913
H 2.394157 -3.049617 -0.916579
H -0.912121 2.745927 0.345123
H 3.841466 -1.139729 -0.401974
H 2.176083 2.836025 0.253260
H 1.933207 -3.194910 1.587264
H 0.989812 -4.408926 0.672119
H 0.193359 -2.926710 1.275838
H -3.263017 -1.219247 -1.086005
H -3.173618 -1.506595 0.678174


