%chk=000031194.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031194

0 1
 Br  -4.901800     -0.2737000      -1.155700    
 O   9.8600000E-02   3.124000      5.2600000E-02
 O   -1.837600       2.099600      0.1959000    
 O    4.146300      -1.562800     -0.1602000    
 O    4.185400      0.6318000     -0.1936000    
 N   -2.050100     -0.3783000      0.2431000    
 N  -0.5874000       2.076700      0.1119000    
 N    3.559500     -0.4540000     -0.1358000    
 C  -0.6400000     -0.3769000      0.1473000    
 C   7.6300003E-02  0.8183000      8.2300000E-02
 C   -2.819800      -1.579900      0.3123000    
 C   3.4899998E-02  -1.597200      0.1186000    
 C    1.467900      0.7931000     -1.1500000E-02
 C    2.142900     -0.4273000     -4.0300000E-02
 C    1.426300      -1.622400      2.4800001E-02
 C   -4.301500      -1.271000      0.4082000    
 H   -2.541800      0.5047000      0.2487000    
 H   -2.644400      -2.199400     -0.5761000    
 H   -2.539700      -2.164000       1.197100    
 H  -0.4779000      -2.552800      0.1673000    
 H    2.030700       1.722300     -6.2199999E-02
 H    1.919100      -2.591200      4.9000001E-03
 H   -4.900000      -2.185100      0.4449000    
 H   -4.536200     -0.6476000       1.276100    


%chk=000031194-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000031194

0 1
Br -5.139606 -0.301650 -1.105847
O 0.188887 3.200582 0.054357
O -1.859424 2.211668 0.137871
O 4.212712 -1.603317 -0.109555
O 4.257915 0.682091 -0.145321
N -2.055130 -0.401306 0.212380
N -0.549229 2.147112 0.088143
N 3.630749 -0.446551 -0.096586
C -0.690266 -0.398891 0.130251
C 0.085118 0.826695 0.071640
C -2.872735 -1.617437 0.261787
C 0.053897 -1.631105 0.102463
C 1.492688 0.806656 -0.001975
C 2.160658 -0.423680 -0.020544
C 1.443972 -1.650017 0.029756
C -4.350563 -1.295275 0.473253
H -2.500215 0.532903 0.167380
H -2.746741 -2.213831 -0.664163
H -2.551265 -2.255598 1.113848
H -0.487980 -2.579215 0.133081
H 2.048658 1.746901 -0.043535
H 2.002177 -2.589789 0.007477
H -4.943193 -2.217034 0.561016
H -4.521385 -0.643014 1.343422


