%chk=000091899.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000091899

0 1
 Br   4.519500      0.3108000     -8.6800002E-02
 O    2.387700       2.541000      0.1935000    
 O    2.834100      -2.249700      0.3586000    
 O   -4.700700      0.5402000     -3.2200001E-02
 N   -1.974500     -0.5094000      -2.392800    
 C  -7.2899997E-02 -8.6999997E-02  0.7841000    
 C   0.7219000      -1.229900      0.6967000    
 C   0.4978000       1.174200      0.6131000    
 C    1.863500       1.292700      0.3547000    
 C    2.087500      -1.111600      0.4384000    
 C   -1.496700     -0.2112000       1.053300    
 C    2.658400      0.1497000      0.2674000    
 C   -2.491400     -0.3558000      0.1415000    
 C   -3.927700     -0.4869000      0.5764000    
 C    2.406500       3.068700      -1.130700    
 C    2.956800      -2.854200     -0.9267000    
 C   -2.202400     -0.4400000      -1.257000    
 C   -6.067100      0.4584000      0.3485000    
 H   0.2841000      -2.217000      0.8301000    
 H  -0.1158000       2.070200      0.6812000    
 H   -1.750000     -0.1696000       2.111100    
 H   -4.312200      -1.467600      0.2694000    
 H   -4.020900     -0.4114000       1.666700    
 H    1.388000       3.308400      -1.452200    
 H    2.861800       2.367400      -1.836900    
 H    2.995600       3.989800      -1.124100    
 H    3.279100      -2.131000      -1.682300    
 H    2.001600      -3.298600      -1.223700    
 H    3.705400      -3.648500     -0.8614000    
 H   -6.496400     -0.4983000      3.5500001E-02
 H   -6.612000       1.264600     -0.1498000    
 H   -6.172500      0.5834000       1.430600    


%chk=000091899-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000091899

0 1
Br 4.716870 0.346733 -0.352960
O 2.856347 2.614060 0.869652
O 2.755954 -1.891585 -0.948271
O -4.668545 -0.178819 -0.388677
N -2.109246 -3.010610 -0.522825
C -0.014838 0.277928 0.377644
C 0.649085 -0.848959 -0.183444
C 0.750003 1.432482 0.694515
C 2.141944 1.469670 0.465692
C 2.041858 -0.825405 -0.412713
C -1.454891 0.333729 0.656438
C 2.796110 0.340858 -0.085061
C -2.454095 -0.597955 0.477185
C -3.891135 -0.286002 0.853686
C 3.148797 3.584229 -0.208147
C 2.011948 -3.114634 -1.290368
C -2.246936 -1.906532 -0.077050
C -6.111927 -0.166445 -0.138484
H 0.082460 -1.744662 -0.438065
H 0.281000 2.316106 1.140242
H -1.788436 1.291548 1.082105
H -4.310590 -1.098285 1.488666
H -3.935648 0.665634 1.426433
H 2.208143 3.979450 -0.638380
H 3.762249 3.123151 -1.003951
H 3.713002 4.394935 0.276036
H 1.246298 -2.913712 -2.062704
H 1.533304 -3.554327 -0.395601
H 2.773869 -3.801117 -1.685304
H -6.441450 -1.093212 0.377036
H -6.589421 -0.108714 -1.128538
H -6.415982 0.712263 0.469415


