%chk=000015416.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000015416

0 1
 Br   2.261400      -2.256200      0.1409000    
 N  -0.7140000      0.6762000     -0.1870000    
 C   0.5157000      3.8899999E-02  0.3016000    
 C   -1.847900     -0.2313000     -3.4499999E-02
 C    1.737300      0.9902000      0.1399000    
 C   0.6550000      -1.303900     -0.4211000    
 C   -3.122600      0.6031000      0.1298000    
 C   -1.948100      -1.102400      -1.291200    
 C   -1.631800      -1.112300       1.201500    
 C  -0.9535000       1.926300      0.5286000    
 C    2.053100       1.355100      -1.315100    
 C    2.995400      0.4162000      0.8066000    
 H   0.4766000     -0.1332000       1.386200    
 H    1.566400       1.919300      0.6914000    
 H   0.8285000      -1.154900      -1.492500    
 H  -5.4200001E-02  -2.113200     -0.3245000    
 H   -3.291000       1.292300     -0.7071000    
 H   -3.993300     -6.8099998E-02  0.1268000    
 H   -3.199100       1.135800       1.084900    
 H   -1.896000      -2.178300      -1.092600    
 H   -1.237200     -0.8387000      -2.081700    
 H   -2.926800     -0.9615000      -1.770900    
 H   -1.569700     -0.4983000       2.111500    
 H   -2.551200      -1.700800       1.345300    
 H  -0.8547000      -1.866700       1.287500    
 H  -0.1571000       2.655900      0.3592000    
 H   -1.056800       1.798700       1.612600    
 H   -1.802100       2.501100      0.1425000    
 H    2.363100      0.4846000      -1.901200    
 H    1.190600       1.811600      -1.810200    
 H    2.872900       2.081500      -1.353500    
 H    3.609000       1.272300       1.126800    
 H    2.793600     -0.1212000       1.738200    
 H    3.669000     -0.1095000      0.1252000    


%chk=000015416-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000015416

0 1
Br 2.531558 -1.512219 -2.326528
N -0.843270 0.423478 -0.479238
C 0.545429 -0.139123 -0.465257
C -1.883395 -0.311693 0.334171
C 1.606100 0.663517 0.386730
C 0.859471 -0.353728 -1.961890
C -3.268477 0.359208 0.137791
C -2.006104 -1.774265 -0.177022
C -1.532260 -0.309676 1.855018
C -0.944554 1.893496 -0.531920
C 2.498822 1.647621 -0.409952
C 2.494741 -0.300270 1.216515
H 0.482162 -1.142005 -0.009806
H 1.017795 1.260409 1.113622
H 1.055540 0.579452 -2.512114
H 0.052235 -0.926629 -2.437181
H -3.515704 0.439082 -0.936311
H -4.043019 -0.260064 0.624295
H -3.316939 1.364957 0.590238
H -1.073090 -2.351541 -0.051949
H -2.275654 -1.780507 -1.248263
H -2.795171 -2.304075 0.387212
H -1.428591 0.724327 2.234130
H -2.327977 -0.806943 2.440341
H -0.586129 -0.846395 2.051487
H -0.172892 2.289937 -1.212188
H -0.818434 2.406502 0.451991
H -1.919324 2.198890 -0.945717
H 3.150575 1.109484 -1.121196
H 1.915865 2.396172 -0.976513
H 3.153463 2.203350 0.287185
H 3.183901 0.269219 1.868463
H 1.881167 -0.953166 1.866630
H 3.102657 -0.948204 0.561129


