%chk=000048342.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048342

0 1
 Br  -3.254800      -1.687400      -1.045400    
 N   -1.062800      0.7607000     -0.5606000    
 C  -0.3735000      0.2625000      0.6290000    
 C    1.081700     -1.4900000E-02  0.3594000    
 C   -2.483900      0.9632000     -0.2808000    
 C  -0.4503000       2.005700      -1.022400    
 C    1.468100      -1.273900     -7.8400001E-02
 C    2.016300      0.9929000      0.5526000    
 C   -3.164200     -0.2887000      0.1987000    
 C    2.816400      -1.530400     -0.3285000    
 C    3.364500      0.7363000      0.3028000    
 C    3.764700     -0.5253000     -0.1381000    
 C   -3.722300     -0.4007000       1.411600    
 H  -0.8061000     -0.6776000      0.9922000    
 H  -0.4613000      0.9684000       1.467600    
 H   -2.996100       1.301100      -1.191700    
 H   -2.615300       1.768900      0.4553000    
 H   -1.052500       2.444500      -1.828000    
 H   0.5317000       1.839800      -1.475500    
 H  -0.3716000       2.759400     -0.2303000    
 H   0.7380000      -2.063500     -0.2327000    
 H    1.723200       1.976200      0.9090000    
 H    3.127700      -2.512600     -0.6721000    
 H    4.103300       1.517900      0.4544000    
 H    4.814400     -0.7251000     -0.3321000    
 H   -4.225600      -1.308800       1.727000    
 H   -3.685900      0.4174000       2.123500    


%chk=000048342-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000048342

0 1
Br -2.796445 -2.043952 -0.712536
N -1.097235 0.824634 -0.495896
C -0.254395 0.726167 0.716715
C 1.163790 0.251195 0.414573
C -2.543141 0.852553 -0.217271
C -0.669828 1.881970 -1.431490
C 1.381432 -0.814660 -0.495687
C 2.277042 0.833350 1.068157
C -3.087461 -0.426451 0.390755
C 2.687832 -1.288910 -0.743313
C 3.586687 0.356689 0.825466
C 3.795969 -0.706774 -0.081789
C -3.762405 -0.535831 1.557308
H -0.741272 -0.002574 1.394213
H -0.207368 1.698538 1.271916
H -3.063396 1.034359 -1.177533
H -2.838163 1.684127 0.476081
H -1.247707 1.806452 -2.369680
H 0.396903 1.744755 -1.675414
H -0.798610 2.915316 -1.021447
H 0.514790 -1.249713 -1.006316
H 2.120047 1.663827 1.768562
H 2.843762 -2.113016 -1.449103
H 4.439479 0.816908 1.337754
H 4.809872 -1.076028 -0.273816
H -4.168558 -1.483295 1.919694
H -3.917823 0.356363 2.176596


