%chk=000023309.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000023309

0 1
 Br  -4.441800     -0.4105000      0.5496000    
 O   -1.939000      0.3422000      -1.679300    
 N   -1.045700      2.6900001E-02  0.4746000    
 C    1.261000       1.704400      0.1489000    
 C    1.333600      0.1709000      6.2100001E-02
 C    2.666900       2.304100     -6.9899999E-02
 C   0.7420000       2.122000       1.541900    
 C   0.3231000       2.346100     -0.8985000    
 C   0.1929000     -0.5749000      0.2268000    
 C    2.566500     -0.3863000     -0.1820000    
 C   0.2889000      -1.964000      0.1426000    
 C    2.662500      -1.775300     -0.2661000    
 C    1.523700      -2.564200     -0.1039000    
 C  -0.9129000      -2.836100      0.3118000    
 C   -2.003600      0.4432000     -0.4570000    
 C   -3.218000       1.051500      0.1984000    
 H    2.627000       3.398700      1.3700000E-02
 H    3.386400       1.987900      0.6953000    
 H    3.064300       2.098400      -1.071300    
 H    1.300100       1.614700       2.338100    
 H   0.8817000       3.200300       1.690500    
 H  -0.3201000       1.937100       1.713700    
 H   0.6490000       3.366800      -1.137200    
 H   0.3272000       1.788400      -1.841200    
 H  -0.7018000       2.472200     -0.5485000    
 H    3.497600      0.1445000     -0.3232000    
 H    3.623200      -2.244000     -0.4590000    
 H    1.616600      -3.644800     -0.1736000    
 H   -1.364900     -5.8800001E-02   1.437600    
 H   -1.401600      -2.638100       1.271600    
 H   -1.626400      -2.664700     -0.5008000    
 H  -0.6498000      -3.899400      0.2987000    
 H   -2.980700       1.534800       1.148500    
 H   -3.708800       1.758000     -0.4741000    


%chk=000023309-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000023309

0 1
Br -3.481926 1.602692 1.872083
O -2.232872 -0.495056 -1.581848
N -1.108836 0.041251 0.414388
C 1.369929 1.792266 0.290142
C 1.364742 0.246124 0.092329
C 2.800351 2.386495 0.140036
C 0.885153 2.179497 1.724396
C 0.484017 2.485628 -0.789814
C 0.176966 -0.559049 0.128763
C 2.585864 -0.433840 -0.152867
C 0.213597 -1.973296 -0.064971
C 2.640737 -1.826397 -0.367628
C 1.460766 -2.590285 -0.324231
C -1.034828 -2.829718 0.017526
C -2.197291 0.021127 -0.422702
C -3.504131 0.663603 0.057131
H 2.743559 3.484226 0.253458
H 3.493874 2.007124 0.912939
H 3.230850 2.176984 -0.855735
H 1.431877 1.605146 2.494331
H 1.075716 3.254611 1.900989
H -0.197927 2.031350 1.880311
H 0.513623 3.582602 -0.649275
H 0.860518 2.257284 -1.803220
H -0.567904 2.165569 -0.741425
H 3.519199 0.131284 -0.188837
H 3.604601 -2.310017 -0.561371
H 1.495884 -3.674793 -0.478059
H -1.218251 0.556774 1.292938
H -1.670748 -2.545897 0.876575
H -1.649193 -2.711576 -0.893809
H -0.768533 -3.894664 0.124315
H -3.816905 1.433504 -0.663390
H -4.283377 -0.108554 0.145334


