%chk=000038543.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000038543

0 1
 Br  -5.228000      -1.979700      0.2423000    
 Br  0.5316000      -2.494500      -1.083300    
 N  -0.7866000      0.8731000     -0.1969000    
 C   -2.210500       1.006500      0.1089000    
 C  -0.1312000      1.1500000E-02  0.7863000    
 C  -0.1461000       2.187300     -0.2324000    
 C   -2.894600     -0.3585000      5.9999999E-02
 C    1.325300     -0.1968000      0.4673000    
 C  -0.8147000       3.096600      -1.249600    
 C   -4.377500     -0.2326000      0.3679000    
 C    1.750000      -1.248900     -0.3344000    
 C    2.239400      0.7022000       1.003800    
 C    3.109700      -1.404800     -0.6042000    
 C    3.599100      0.5460000      0.7341000    
 C    4.034200     -0.5073000     -6.9799997E-02
 H   -2.366200       1.473200       1.090500    
 H   -2.722900       1.624600     -0.6352000    
 H  -0.5814000     -0.9752000      0.8943000    
 H  -0.2166000      0.4492000       1.792600    
 H  -0.1443000       2.677800      0.7490000    
 H   0.8868000       2.109100     -0.5824000    
 H   -2.750600     -0.8143000     -0.9281000    
 H   -2.493200      -1.056000      0.7997000    
 H  -0.9700000       2.591900      -2.209500    
 H   -1.770700       3.492900     -0.8936000    
 H  -0.1738000       3.965200      -1.440600    
 H   -4.891900      0.4131000     -0.3492000    
 H   -4.557200      0.1320000       1.383000    
 H    1.923800       1.519100       1.647000    
 H    3.467900      -2.219600      -1.228300    
 H    4.319400       1.242400       1.153500    
 H    5.092900     -0.6292000     -0.2788000    


%chk=000038543-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000038543

0 1
Br -5.364258 -2.085029 -0.159536
Br 0.299992 -2.193775 -1.152325
N -0.824820 0.985640 0.046795
C -2.274813 0.966650 0.365785
C -0.030860 0.235305 1.058513
C -0.298146 2.354552 -0.204199
C -2.957328 -0.370655 -0.024915
C 1.387672 -0.079903 0.605224
C -0.758609 2.939666 -1.552633
C -4.448690 -0.328115 0.312231
C 1.707769 -1.079426 -0.348642
C 2.476939 0.638917 1.168006
C 3.035580 -1.344401 -0.745357
C 3.814129 0.391010 0.790311
C 4.093943 -0.601994 -0.174290
H -2.457897 1.179871 1.451948
H -2.758412 1.783314 -0.200236
H -0.562714 -0.711598 1.261988
H 0.024306 0.793344 2.028629
H -0.565750 3.055705 0.628889
H 0.804002 2.284839 -0.217044
H -2.807551 -0.541515 -1.104818
H -2.484225 -1.218191 0.502210
H -0.472677 2.259917 -2.373716
H -1.852499 3.090837 -1.598122
H -0.281896 3.922761 -1.723756
H -4.998570 0.430374 -0.267379
H -4.642869 -0.199064 1.389181
H 2.255918 1.405780 1.920682
H 3.241225 -2.125248 -1.483515
H 4.628322 0.965269 1.244703
H 5.124888 -0.808536 -0.480715


