%chk=000094439.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094439

0 1
 Br -0.2057000      -1.553400      -2.195500    
 Cl   2.866400       1.521200     -5.9700001E-02
 O  -3.7200000E-02  -1.841300       1.539700    
 O   -2.512400       1.535700     -0.3273000    
 N  -0.2464000      0.9801000     -0.4757000    
 N   -1.579800     -0.2851000      0.7782000    
 C   0.6502000     -3.2299999E-02  4.4199999E-02
 C  -0.3322000     -0.8499000      0.8860000    
 C    1.231500     -0.8819000      -1.077800    
 C    1.727300      0.5847000      0.9261000    
 C   -1.561700      0.8222000     -3.8300000E-02
 H   4.7800001E-02   1.728300      -1.095800    
 H    1.772600      -1.756100     -0.7043000    
 H    1.868300     -0.3255000      -1.769700    
 H    2.301100     -0.1863000       1.450900    
 H    1.303000       1.257000       1.679700    
 H   -2.408900     -0.6392000       1.241400    


%chk=000094439-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000094439

0 1
Br -0.108836 -1.658888 -2.369384
Cl 2.888748 1.671909 -0.052070
O -0.008474 -1.885124 1.570100
O -2.586673 1.608437 -0.285118
N -0.287609 1.014281 -0.495276
N -1.581220 -0.256364 0.830806
C 0.616655 -0.023814 0.002155
C -0.340470 -0.873278 0.911904
C 1.253849 -0.917232 -1.086398
C 1.725231 0.549459 0.921974
C -1.594042 0.892443 -0.037354
H -0.008824 1.750831 -1.141468
H 1.731819 -1.792407 -0.619562
H 1.968991 -0.352472 -1.702098
H 2.347060 -0.248808 1.351863
H 1.295200 1.187345 1.707154
H -2.427506 -0.588118 1.294872


