%chk=000108489.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000108489

0 1
 Br  -2.994000      -1.151700       1.859100    
 O   -1.742800     -0.6372000      -1.359100    
 O   0.6932000      0.8825000       1.461100    
 O    2.357400      -1.484800     -0.6825000    
 O    4.386800      -1.467900      0.3319000    
 N   -1.598600       1.261500     -2.9100001E-02
 N    1.963100       1.089400     -0.4744000    
 C  -0.3405000       1.756500     -0.5399000    
 C   -3.503000     -0.2002000      0.2311000    
 C   -2.199300      9.6900001E-02 -0.4850000    
 C   0.7987000       1.181300      0.2743000    
 C    3.218600      0.6200000      6.6600002E-02
 C   -4.435900      -1.076200     -0.5834000    
 C    3.396200     -0.8702000     -7.0600003E-02
 H  -0.2471000       1.484900      -1.596000    
 H  -0.3340000       2.845800     -0.4410000    
 H   -4.004500      0.7205000      0.5433000    
 H   -2.040700       1.787400      0.7192000    
 H    1.948200       1.359600      -1.453500    
 H    3.272000      0.8808000       1.127800    
 H    4.017800       1.120300     -0.4872000    
 H   -4.711800     -0.5765000      -1.518300    
 H   -5.357100      -1.291500     -3.1300001E-02
 H   -3.975600      -2.035300     -0.8475000    
 H    2.497000      -2.452700     -0.7599000    


%chk=000108489-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000108489

0 1
Br -4.259590 -1.431688 1.559920
O -2.887569 -0.583853 -1.781839
O 0.569944 0.835297 1.404707
O 4.357644 -0.302159 -1.406858
O 5.680140 0.457694 0.353009
N -1.605357 0.197845 -0.014973
N 2.067161 0.197218 -0.248437
C -0.342223 -0.055147 -0.697763
C -4.047693 0.161302 0.262222
C -2.806926 -0.118615 -0.602797
C 0.797292 0.365747 0.244364
C 3.234263 0.550878 0.562464
C -5.322045 0.321952 -0.557722
C 4.551759 0.249760 -0.129143
H -0.251736 -1.127209 -0.966287
H -0.292929 0.510375 -1.649338
H -3.878157 1.002869 0.954860
H -1.520316 0.538346 0.951830
H 2.238696 -0.188587 -1.180216
H 3.219953 0.011173 1.529112
H 3.223176 1.626159 0.827079
H -5.236323 1.228692 -1.187617
H -6.203355 0.426158 0.095519
H -5.456139 -0.539608 -1.230378
H 5.234430 -0.491397 -1.836019


