%chk=000126645.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126645

0 1
 Br  0.4761000      -2.772700     -4.2599998E-02
 F   -3.942100      0.1750000       1.841900    
 O    3.392700      -1.936500      0.2263000    
 N    1.111800       1.311000     -6.8099998E-02
 N    3.250900      0.3479000      0.1610000    
 N    2.953900       2.679900      7.8800000E-02
 C   0.4850000      9.0000004E-02 -0.1026000    
 C  -0.9632000      0.1022000     -0.2446000    
 C    1.198900      -1.048600     -8.8000000E-03
 C   -1.774200      0.1336000      0.8893000    
 C   -1.538700      8.2599998E-02  -1.514600    
 C    2.475700       1.395500      6.2799998E-02
 C   -3.162200      0.1453000      0.7531000    
 C   -2.926900      9.4200000E-02  -1.650800    
 C    2.700800     -0.9252000      0.1357000    
 C   -3.738600      0.1256000     -0.5169000    
 H   0.5389000       2.144700     -0.1426000    
 H   -1.340800      0.1496000       1.886500    
 H  -0.9199000      5.8600001E-02  -2.408400    
 H   -3.375800      7.8800000E-02  -2.639700    
 H   -4.819400      0.1345000     -0.6226000    
 H    2.332100       3.477200      7.9999998E-04
 H    3.946000       2.869600      0.1704000    


%chk=000126645-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000126645

0 1
Br 0.713691 -2.830930 -0.730022
F -3.881851 1.238045 1.668999
O 3.658829 -1.815573 -0.507101
N 1.066534 1.285548 0.103166
N 3.302108 0.420609 0.090525
N 2.922985 2.667301 0.613647
C 0.498562 0.033503 -0.223736
C -0.988291 0.041866 -0.316921
C 1.364094 -1.029964 -0.398946
C -1.743910 0.627221 0.734993
C -1.660756 -0.473974 -1.455355
C 2.448218 1.418960 0.265017
C -3.141984 0.666420 0.616025
C -3.068467 -0.414039 -1.538562
C 2.852406 -0.871683 -0.291229
C -3.832921 0.160623 -0.497136
H 0.444340 2.096327 0.128668
H -1.267911 1.000234 1.647671
H -1.081549 -0.913182 -2.271717
H -3.576625 -0.813545 -2.421680
H -4.924277 0.215064 -0.539695
H 2.325025 3.450656 0.861985
H 3.932749 2.753312 0.705703


