%chk=000126896.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126896

0 1
 Br   3.285600      -2.578000      0.2013000    
 O   -1.435200      0.1809000       1.819200    
 N   -1.996100     -0.2059000     -0.4284000    
 N    1.002100      -1.014700      0.3979000    
 N    2.247800       1.410500     -0.2600000    
 N   0.1602000       2.520600     -2.6799999E-02
 N    4.314100      0.2827000     -0.4860000    
 N   -3.897400     -0.2094000       1.074500    
 N   -4.197500     -0.5496000      -1.204400    
 C   0.3424000      0.1474000      0.3356000    
 C   -1.100200      4.4199999E-02  0.6427000    
 C   0.9310000       1.336900      1.7400000E-02
 C   -1.509200     -0.3550000      -1.799300    
 C   -3.397500     -0.3195000     -0.2020000    
 C    2.930900      0.2501000     -0.2023000    
 C    2.319200     -0.9411000      0.1208000    
 H   -2.280300     -0.6753000      -2.502700    
 H  -0.7020000      -1.093200      -1.820900    
 H   -1.110900      0.6078000      -2.133600    
 H   0.6496000       3.374300     -0.2662000    
 H  -0.8193000       2.454800     -0.2738000    
 H    4.899300      2.9500000E-02  0.3054000    
 H    4.573100     -0.2426000      -1.316500    
 H   -4.892100     -0.2966000       1.253700    
 H   -3.306500     -4.0899999E-02   1.879600    
 H   -5.159300     -0.6085000     -0.8527000    


%chk=000126896-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000126896

0 1
Br 2.950941 -2.481560 -1.321021
O -1.703866 1.457878 0.886986
N -2.099890 -0.365689 -0.548974
N 0.848532 -0.704706 -0.508932
N 2.465250 1.421760 0.281324
N 0.620747 2.632289 1.022011
N 4.380677 0.251804 -0.392076
N -4.010981 0.357879 0.742740
N -4.206712 -1.355600 -0.954230
C 0.233044 0.418184 -0.024925
C -1.244006 0.512784 0.117573
C 1.101323 1.502058 0.432026
C -1.627179 -1.246016 -1.657097
C -3.528288 -0.469478 -0.256235
C 3.021381 0.298365 -0.241614
C 2.151259 -0.793657 -0.611376
H -2.526472 -1.554103 -2.209101
H -1.114870 -2.136316 -1.265339
H -0.930225 -0.689264 -2.300733
H 1.283248 3.350580 1.308891
H -0.390022 2.648956 1.222633
H 4.931520 1.060094 -0.109655
H 4.829538 -0.580166 -0.770417
H -4.986828 0.273185 1.013172
H -3.382496 1.076116 1.132288
H -5.213825 -1.375979 -0.715418


