%chk=000048596.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048596

0 1
 Br  -3.028700      -2.029100      0.4263000    
 O    1.479100      0.9527000      -1.982000    
 O  -0.8741000     -0.2338000       1.904500    
 O    2.564600      -2.845900      0.3521000    
 N    1.954800     -0.9961000     -0.8692000    
 N   0.7789000      -1.589200       1.071800    
 C  -0.1558000      0.1548000     -0.3787000    
 C  -0.5971000       1.614800     -0.2002000    
 C   -1.195400     -0.5896000      -1.235700    
 C    1.164900      0.1111000      -1.140800    
 C  -0.1197000     -0.5368000      0.9804000    
 C   0.4387000       2.436900      0.5134000    
 C   -2.565400     -0.5516000     -0.6266000    
 C    1.808000      -1.887500      0.1868000    
 C   0.3774000       2.470300       2.013500    
 C    1.405700       3.077700     -0.1614000    
 C   -3.436000      0.4412000     -0.8544000    
 H   -1.527900       1.714300      0.3689000    
 H  -0.7982000       2.071500      -1.180000    
 H  -0.8867000      -1.629100      -1.413300    
 H   -1.234500     -0.1419000      -2.239700    
 H    2.773500      -1.125100      -1.457400    
 H   0.7308000      -2.155300       1.914400    
 H   0.9401000       3.321800       2.413700    
 H  -0.6539000       2.582900       2.362900    
 H   0.8110000       1.567300       2.449900    
 H    1.437600       3.126500      -1.242100    
 H    2.165500       3.645800      0.3668000    
 H   -4.429500      0.4380000     -0.4178000    
 H   -3.184600       1.278800      -1.496400    


%chk=000048596-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000048596

0 1
Br -2.989173 -2.358936 0.294921
O 1.205730 0.664397 -2.435163
O -0.764351 -0.283556 1.888855
O 2.883138 -2.683330 0.315000
N 1.994498 -1.000739 -1.041687
N 0.970577 -1.535796 1.019622
C -0.153447 0.164145 -0.449219
C -0.460015 1.681386 -0.231393
C -1.329463 -0.512487 -1.299028
C 1.069118 -0.000988 -1.375635
C -0.019369 -0.538974 0.911002
C 0.556853 2.428168 0.646241
C -2.677060 -0.631710 -0.625441
C 2.007543 -1.807817 0.113429
C 0.075565 2.840219 2.025733
C 1.801983 2.741527 0.193657
C -3.676141 0.278786 -0.658093
H -1.460594 1.745784 0.229331
H -0.504867 2.139914 -1.236559
H -0.995840 -1.507936 -1.643292
H -1.435610 0.127044 -2.195311
H 2.767706 -1.157009 -1.697045
H 0.996252 -2.066897 1.896586
H 0.875177 3.328872 2.608460
H -0.769181 3.553104 1.940293
H -0.304131 1.969706 2.591066
H 2.133630 2.499654 -0.822234
H 2.514441 3.278946 0.830407
H -4.636797 0.119378 -0.162677
H -3.533074 1.220546 -1.202124


