%chk=000092627.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000092627

0 1
 Br  -5.115400      0.6603000      0.4422000    
 O   -2.962700      -1.365900      0.2768000    
 N    3.162000      4.3299999E-02 -0.7027000    
 N    3.795600      0.1976000      0.3642000    
 N    4.379900      0.3388000       1.334600    
 C  -0.9787000     -0.1812000     -0.1146000    
 C  -0.3717000       1.054900     -0.3373000    
 C  -0.2064000      -1.342600     -8.7899998E-02
 C   -2.416200     -0.2604000      9.0499997E-02
 C    1.779400     -3.1700000E-02 -0.5068000    
 C    1.007200       1.129600     -0.5335000    
 C    1.172500      -1.267700     -0.2839000    
 C   -3.245500       1.025000      5.8300000E-02
 H  -0.9326000       1.983600     -0.3687000    
 H  -0.6542000      -2.317800      8.3800003E-02
 H    1.470800       2.097200     -0.7077000    
 H    1.765500      -2.178400     -0.2619000    
 H   -2.915200       1.720100      0.8333000    
 H   -3.219800       1.476700     -0.9358000    


%chk=000092627-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000092627

0 1
Br -5.360732 0.412675 -0.050984
O -2.934940 -1.510528 0.233342
N 3.187521 0.591252 -0.186299
N 4.058624 -0.319646 -0.043601
N 5.021205 -1.002720 0.062497
C -1.018281 -0.073796 -0.026696
C -0.466478 1.219564 -0.246934
C -0.132734 -1.175050 0.144083
C -2.493909 -0.347572 0.036545
C 1.791763 0.299785 -0.122279
C 0.924763 1.408805 -0.295200
C 1.257977 -1.001295 0.098622
C -3.417290 0.866321 -0.151428
H -1.115770 2.090553 -0.382335
H -0.571618 -2.163968 0.312325
H 1.359732 2.398034 -0.463662
H 1.926494 -1.859553 0.231802
H -3.239078 1.619983 0.633838
H -3.262749 1.328557 -1.140736


