%chk=000044530.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044530

0 1
 Br   4.900300      -1.528600     -0.1215000    
 O   -1.400900       3.161300      -1.122000    
 N  -0.7555000      0.7153000      0.1352000    
 C   -1.854200      6.7800000E-02 -0.5401000    
 C   -2.483600     -0.9998000      0.3508000    
 C   -1.025300       1.930500      0.9062000    
 C   -3.626100      -1.747600     -0.3412000    
 C   0.5465000      0.1982000      7.5999998E-02
 C  -0.6559000       3.157000      8.9299999E-02
 C   -4.188100      -2.847100      0.5465000    
 C   0.8096000     -0.9697000     -0.6477000    
 C    1.594000      0.8463000      0.7394000    
 C    2.105000      -1.483500     -0.7071000    
 C    2.889400      0.3324000      0.6798000    
 C    3.144900     -0.8325000     -4.3499999E-02
 H   -2.632300      0.8087000     -0.7687000    
 H   -1.579400     -0.3269000      -1.524400    
 H   -2.859000     -0.5359000       1.272000    
 H   -1.721800      -1.724700      0.6628000    
 H  -0.5404000       1.924000       1.888400    
 H   -2.100500       1.977000       1.124700    
 H   -3.265900      -2.191500      -1.276500    
 H   -4.426000      -1.044700     -0.6008000    
 H   0.4060000       3.191900     -0.1678000    
 H  -0.9044000       4.065000      0.6481000    
 H   -4.580900      -2.434100       1.481000    
 H   -5.004300      -3.366700      3.5000000E-02
 H   -3.417800      -3.584800      0.7931000    
 H   4.3499999E-02  -1.530000      -1.172600    
 H    1.465400       1.752300       1.321200    
 H    2.287700      -2.394200      -1.272000    
 H    3.688900      0.8507000       1.203100    
 H   -1.152400       3.966600      -1.607100    


%chk=000044530-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000044530

0 1
Br 5.097923 -1.605608 -0.098654
O -1.858119 3.274832 -0.904935
N -0.677059 0.714402 0.181434
C -1.811785 0.050979 -0.495745
C -2.481735 -1.064802 0.345745
C -0.965943 1.958757 0.906248
C -3.670155 -1.718888 -0.394677
C 0.622632 0.195540 0.120517
C -0.759558 3.238567 0.076877
C -4.350825 -2.829065 0.435116
C 0.893804 -1.065582 -0.504425
C 1.741729 0.899138 0.675541
C 2.199617 -1.588598 -0.571455
C 3.047177 0.370866 0.616706
C 3.273277 -0.870361 -0.008497
H -2.552539 0.832870 -0.738183
H -1.473064 -0.359160 -1.467201
H -2.835052 -0.631755 1.303774
H -1.733928 -1.838109 0.610287
H -0.356540 2.017869 1.827769
H -2.023638 1.943121 1.227744
H -3.315827 -2.141619 -1.357496
H -4.415159 -0.938960 -0.653670
H 0.228305 3.215077 -0.426196
H -0.806250 4.124991 0.746749
H -4.742099 -2.427512 1.388803
H -5.196674 -3.283456 -0.112739
H -3.634303 -3.635240 0.680816
H 0.082009 -1.657359 -0.934743
H 1.610038 1.873638 1.153590
H 2.370860 -2.555701 -1.054059
H 3.879236 0.934139 1.050361
H -1.679856 3.969688 -1.585804


