%chk=000013430.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000013430

0 1
 Br  0.1248000      -2.542200      0.5021000    
 N   -1.390700      0.8588000      0.5062000    
 C  -0.6798000      0.3256000     -0.6555000    
 C   0.7815000      0.1240000     -0.3761000    
 C   -2.818600      0.9864000      0.2174000    
 C  -0.8310000       2.151700      0.8986000    
 C    1.269300      -1.076700      0.1298000    
 C    1.646100       1.182400     -0.6393000    
 C    2.635000      -1.220800      0.3752000    
 C    3.011700       1.038200     -0.3939000    
 C    3.506100     -0.1632000      0.1134000    
 C   -3.390400     -0.3047000     -0.1772000    
 C   -3.864100      -1.359500     -0.5009000    
 H  -0.7848000       1.010900      -1.511000    
 H   -1.097000     -0.6137000      -1.030100    
 H   -3.345900       1.338200       1.112600    
 H   -2.997900       1.725500     -0.5740000    
 H   0.1572000       2.052900       1.357700    
 H   -1.451000       2.605400       1.682200    
 H  -0.7878000       2.866400      6.8700001E-02
 H    1.285400       2.121400      -1.049900    
 H    3.038900      -2.149500      0.7702000    
 H    3.690500       1.860300     -0.6012000    
 H    4.569500     -0.2756000      0.3037000    
 H   -4.282600      -2.295700     -0.7880000    


%chk=000013430-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000013430

0 1
Br 0.023621 -2.357912 0.786050
N -1.407770 0.877902 0.463244
C -0.635448 0.481462 -0.743795
C 0.828401 0.207589 -0.436186
C -2.874176 0.905532 0.213966
C -0.953107 2.149613 1.059859
C 1.285874 -0.957676 0.231271
C 1.816364 1.147157 -0.836595
C 2.652346 -1.176944 0.507874
C 3.189114 0.948302 -0.574909
C 3.608150 -0.217344 0.104059
C -3.434907 -0.388065 -0.220888
C -3.952811 -1.442354 -0.594148
H -0.690855 1.268814 -1.539841
H -1.111816 -0.431254 -1.145953
H -3.366136 1.205773 1.159432
H -3.152993 1.680037 -0.550247
H 0.116932 2.078494 1.314047
H -1.512949 2.341129 1.992643
H -1.090821 3.031946 0.381824
H 1.486816 2.050344 -1.364782
H 2.966323 -2.088374 1.025204
H 3.923210 1.693971 -0.897994
H 4.668718 -0.388784 0.317072
H -4.387678 -2.372862 -0.910507


