%chk=000050397.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050397

0 1
 Br   1.263900       2.214800     -0.5605000    
 O    2.136900      -1.309600     -0.7929000    
 N    2.599500      2.5300000E-02   1.023200    
 C  -0.2944000      0.3900000       1.060200    
 C   -1.653500     -0.5154000     -0.9685000    
 C   0.5690000      0.4092000     -0.2228000    
 C  -0.2456000     -8.3400004E-02  -1.431600    
 C   -1.584100       1.217900      0.8619000    
 C  -0.7507000      -1.064000       1.325000    
 C   -2.364600      0.7020000     -0.3544000    
 C   -1.514100      -1.606400      0.1075000    
 C    1.837600     -0.3804000     -4.6999998E-02
 H   0.2366000      0.7704000       1.939600    
 H   -2.227300     -0.8953000      -1.820800    
 H   0.2144000     -0.9290000      -1.954000    
 H  -0.3597000      0.6993000      -2.192400    
 H   -1.363800       2.283800      0.7415000    
 H   -2.214500       1.144800       1.757200    
 H   -1.398100      -1.098900       2.210200    
 H   0.1035000      -1.712400       1.550400    
 H   -3.384000      0.4328000     -5.2800000E-02
 H   -2.459400       1.500200      -1.100300    
 H  -0.9860000      -2.475000     -0.3039000    
 H   -2.504000      -1.959800      0.4196000    
 H    3.471100     -0.4440000       1.245900    
 H    2.358900      0.8246000       1.599600    


%chk=000050397-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000050397

0 1
Br 1.264475 2.403125 -0.417331
O 1.877198 -1.632878 -0.424307
N 2.778745 0.010561 0.935878
C -0.366978 0.405510 1.095869
C -1.650844 -0.508530 -0.986425
C 0.560223 0.421229 -0.154632
C -0.244793 -0.002045 -1.413604
C -1.644290 1.250117 0.848130
C -0.804887 -1.076635 1.339450
C -2.450461 0.663407 -0.359574
C -1.490415 -1.647479 0.053630
C 1.814295 -0.470458 0.079655
H 0.181483 0.784257 1.977437
H -2.174876 -0.886128 -1.885224
H 0.313020 -0.802848 -1.930308
H -0.353792 0.846485 -2.108676
H -1.366697 2.302602 0.666164
H -2.250848 1.230023 1.772892
H -1.506322 -1.068870 2.194649
H 0.057891 -1.699077 1.633668
H -3.442881 0.300142 -0.031966
H -2.629514 1.444645 -1.122060
H -0.872386 -2.454262 -0.378629
H -2.480293 -2.077079 0.296375
H 3.582400 -0.584076 1.137177
H 2.788148 0.989762 1.221662


