%chk=000073839.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000073839

0 1
 Br  -4.502500      1.5000000E-03  0.6142000    
 N    3.830500      5.3599998E-02 -0.4235000    
 C    2.481800      5.0000002E-04  0.1674000    
 C    1.454600     -1.8000000E-03 -0.9953000    
 C    2.334800       1.231200       1.072700    
 C    2.408100      -1.278300       1.012800    
 C  -4.4999998E-03 -2.2000000E-03 -0.6009000    
 C  -0.6584000      -1.209600     -0.4224000    
 C  -0.6576000       1.206400     -0.4261000    
 C   -2.004900      -1.208500     -5.8499999E-02
 C   -2.004100       1.207400     -6.2100001E-02
 C   -2.677800     -9.9999997E-05  0.1217000    
 H    1.630900      0.8697000      -1.643300    
 H    1.638100     -0.8695000      -1.646000    
 H    1.392100       1.210700       1.629700    
 H    3.138700       1.278800       1.817600    
 H    2.366000       2.161700      0.4941000    
 H    1.462300      -1.343700       1.561000    
 H    3.209800      -1.311300       1.760700    
 H    2.500200      -2.175600      0.3898000    
 H    4.534500      8.2099997E-02  0.3134000    
 H    3.941700      0.9164000     -0.9551000    
 H  -0.1444000      -2.156100     -0.5622000    
 H  -0.1435000       2.152300     -0.5691000    
 H   -2.515300      -2.158100      8.0300003E-02
 H   -2.513800       2.157800      7.3799998E-02


%chk=000073839-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000073839

0 1
Br -4.621704 -0.062389 0.629781
N 3.868241 -0.002391 -0.467694
C 2.527980 0.030022 0.186331
C 1.490258 0.039603 -0.992576
C 2.345516 1.279474 1.095335
C 2.400765 -1.257611 1.031437
C 0.022963 0.020297 -0.599268
C -0.667239 -1.207750 -0.422714
C -0.706923 1.222991 -0.409712
C -2.032375 -1.244800 -0.058744
C -2.072748 1.211939 -0.045985
C -2.718772 -0.028278 0.128444
H 1.696946 0.942982 -1.602493
H 1.735610 -0.835228 -1.621975
H 1.351837 1.299096 1.578907
H 3.113293 1.284121 1.892094
H 2.459552 2.211242 0.507622
H 1.416900 -1.315586 1.527259
H 3.177833 -1.279473 1.820055
H 2.536804 -2.148825 0.393584
H 4.633032 -0.151197 0.202730
H 4.050173 0.824159 -1.052062
H -0.135327 -2.153075 -0.580758
H -0.206483 2.187689 -0.555153
H -2.548710 -2.200681 0.068617
H -2.620124 2.148969 0.091637


