%chk=000122692.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000122692

0 1
 Br   4.652500       1.635900     -0.5961000    
 O   0.3697000     -0.8771000      -2.196100    
 O    3.902100     -5.4000001E-03   1.948500    
 C   -3.706100     -0.7786000      0.8440000    
 C   -2.507800      -1.468300      0.2263000    
 C   -3.884500      0.6766000      0.3911000    
 C  -6.9499999E-02  -2.252500      0.2690000    
 C   -1.291000      -1.555300      0.7990000    
 C    1.082400      -1.303400      5.1899999E-02
 C   -2.764600       1.566800      0.8541000    
 C   -2.760200      -2.121400      -1.108500    
 C   -1.923200       2.303700      0.1045000    
 C    1.240300     -0.6653000      -1.169700    
 C    1.971000      -1.084700       1.094700    
 C    3.040900     -0.2086000      0.9116000    
 C    2.310300      0.2107000      -1.352700    
 C    3.210600      0.4392000     -0.3121000    
 C  -0.8211000       3.175100      0.6360000    
 C   -2.051700       2.312700      -1.395600    
 H   -3.617800     -0.8090000       1.938500    
 H   -4.614000      -1.348200      0.6084000    
 H   -4.809800       1.059900      0.8405000    
 H   -4.049100      0.7134000     -0.6885000    
 H   0.2265000      -3.004900       1.013500    
 H  -0.2427000      -2.842600     -0.6345000    
 H   -1.165900      -1.087500       1.775400    
 H   -2.636500       1.609300       1.935200    
 H   -3.303500      -3.061300     -0.9665000    
 H   -1.867700      -2.324500      -1.700100    
 H   -3.381300      -1.466700      -1.730600    
 H    1.835100      -1.588600       2.048300    
 H    2.438600      0.7143000      -2.308200    
 H   0.1509000       2.827900      0.2707000    
 H  -0.7905000       3.161500       1.730400    
 H  -0.9670000       4.212200      0.3177000    
 H   -2.463200       1.389300      -1.809200    
 H   -1.063500       2.423700      -1.857400    
 H   -2.669300       3.157100      -1.717600    
 H   0.6405000     -0.3388000      -2.959500    
 H    3.618900     -0.5403000       2.709900    


%chk=000122692-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000122692

0 1
Br 4.457470 1.933912 -0.774506
O 0.355329 -1.175014 -2.342526
O 3.771946 0.444667 1.845221
C -3.691287 -0.789575 0.902325
C -2.559826 -1.519262 0.184657
C -3.901272 0.684209 0.404665
C -0.098837 -2.338554 0.222824
C -1.341967 -1.654871 0.782674
C 1.027692 -1.341818 -0.028565
C -2.839555 1.634012 0.918983
C -2.899479 -2.046460 -1.200052
C -1.827596 2.229817 0.224476
C 1.218764 -0.754719 -1.306923
C 1.890916 -0.935815 1.012447
C 2.909826 0.029907 0.820197
C 2.229707 0.209128 -1.525651
C 3.068314 0.600328 -0.462915
C -0.832616 3.143158 0.923987
C -1.575735 2.049418 -1.261774
H -3.501331 -0.765473 1.992635
H -4.640794 -1.343687 0.749819
H -4.893857 1.022939 0.766729
H -3.952767 0.694833 -0.699652
H 0.253129 -3.093468 0.954279
H -0.334409 -2.872571 -0.711199
H -1.210510 -1.212087 1.782189
H -2.897069 1.839307 2.000646
H -3.512937 -2.967324 -1.130431
H -2.003959 -2.265223 -1.802849
H -3.505094 -1.306728 -1.758607
H 1.763268 -1.386489 2.006394
H 2.374719 0.655969 -2.516031
H 0.200969 2.756245 0.816794
H -1.052520 3.242851 2.001418
H -0.837379 4.157623 0.477005
H -2.308372 1.386059 -1.748602
H -0.568789 1.616134 -1.423006
H -1.592507 3.027943 -1.782498
H 0.573575 -0.716790 -3.191021
H 3.553639 -0.016229 2.692743


