%chk=000085681.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000085681

0 1
 Br   4.686700     -0.7021000     -0.4430000    
 O   -1.766200      -1.623300      -1.011400    
 O   -3.471500      -1.219300      0.4377000    
 N   -3.299100       1.452600     -0.2771000    
 C   -1.118500       1.014600      0.7517000    
 C   -2.092200      0.6287000     -0.3702000    
 C   0.3038000      0.5937000      0.4587000    
 C   0.7378000     -0.6554000      0.8685000    
 C    1.142700       1.466600     -0.2132000    
 C   -2.537300     -0.8144000     -0.2398000    
 C    2.050200      -1.043600      0.5986000    
 C    2.454900       1.078400     -0.4833000    
 C    2.908800     -0.1766000     -7.7200003E-02
 H   -1.436400      0.5879000       1.713000    
 H   -1.123800       2.103700      0.9007000    
 H   -1.656800      0.7919000      -1.362600    
 H   7.8299999E-02  -1.336700       1.398200    
 H   0.7976000       2.444700     -0.5354000    
 H   -3.751300       1.312200      0.6256000    
 H   -3.970800       1.168400     -0.9890000    
 H    2.388100      -2.024700      0.9223000    
 H    3.110900       1.765500      -1.011500    
 H   -2.044100      -2.562000     -0.9487000    


%chk=000085681-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000085681

0 1
Br 4.776512 -0.855258 -0.310673
O -2.417263 -1.363384 -1.650982
O -2.365956 -1.604175 0.661172
N -3.438388 1.300712 -0.138360
C -1.130323 1.118644 0.755639
C -2.121235 0.665244 -0.347889
C 0.295687 0.645317 0.517508
C 0.770701 -0.567500 1.079215
C 1.178820 1.403078 -0.293837
C -2.276523 -0.866022 -0.347787
C 2.089200 -1.018064 0.840856
C 2.500025 0.970117 -0.546332
C 2.937680 -0.240954 0.027280
H -1.501555 0.742521 1.727891
H -1.181350 2.221759 0.776653
H -1.744473 0.972340 -1.337763
H 0.103386 -1.169618 1.706090
H 0.837960 2.350091 -0.729839
H -3.875905 1.064258 0.758729
H -4.084331 1.216222 -0.929025
H 2.444242 -1.953721 1.282226
H 3.172659 1.565553 -1.170274
H -2.577772 -2.346361 -1.617896


