%chk=000130524.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000130524

0 1
 Br   4.123700     -0.1130000       2.855100    
 Br   4.061400      0.2005000      -2.880800    
 O   -3.387500     -0.3419000      4.8400000E-02
 O   -4.530500       1.921100      0.9152000    
 O  -0.3659000       2.568200      0.1732000    
 O    5.196300     -0.2912000     -4.3299999E-02
 C   -1.267900      0.4129000      6.6000000E-02
 C   -2.597900      0.7625000      9.9600002E-02
 C   -1.228400      -1.004400     -1.1100000E-02
 C   -3.302400       2.051600      0.1761000    
 C   -2.556100      -1.419600     -1.9099999E-02
 C  -0.1701000       1.335400      0.1040000    
 C  -0.2190000      -1.980700     -7.5000003E-02
 C    1.269800      0.8998000      6.4599998E-02
 C   -2.957700      -2.752400     -8.6999997E-02
 C   -3.651900       2.643300      -1.201800    
 C  -0.5920000      -3.330000     -0.1436000    
 C   -1.937600      -3.706400     -0.1497000    
 C    1.875500      0.7778000      -1.158700    
 C    1.901800      0.6466000       1.253700    
 C    3.236200      0.2419000       1.217100    
 C    3.209900      0.3731000      -1.195200    
 C    3.890200      0.1050000     -7.4000000E-03
 H   -2.711200       2.783200      0.7334000    
 H   0.8366000      -1.739700     -7.3500000E-02
 H   -4.003300      -3.036500     -9.1100000E-02
 H   -4.306700       1.967100      -1.763300    
 H   -2.750300       2.821800      -1.796200    
 H   -4.193000       3.588200      -1.084600    
 H   0.1786000      -4.095200     -0.1933000    
 H   -2.196900      -4.760900     -0.2040000    
 H    1.331200      0.9902000      -2.074500    
 H    1.377900      0.7575000       2.198800    
 H   -5.111700       1.318500      0.4196000    
 H    5.501100     -0.4310000      0.8698000    


%chk=000130524-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000130524

0 1
Br 3.482568 -1.224480 2.654433
Br 5.136650 1.935707 -1.928776
O -3.361680 -0.242579 0.298960
O -3.681240 2.434370 1.328155
O -0.322438 2.228703 -1.427982
O 5.403899 0.194872 0.583007
C -1.198860 0.300753 -0.312099
C -2.470151 0.800787 -0.032256
C -1.281233 -1.160680 -0.178469
C -3.063153 2.183276 0.009992
C -2.624144 -1.447736 0.197697
C -0.082996 1.170978 -0.755494
C -0.399336 -2.253185 -0.383306
C 1.332364 0.832058 -0.392626
C -3.135633 -2.732626 0.412247
C -4.056967 2.420238 -1.147200
C -0.887442 -3.561659 -0.179539
C -2.232360 -3.802349 0.218231
C 2.375916 1.402610 -1.170015
C 1.658072 0.044456 0.741957
C 3.005057 -0.159574 1.068361
C 3.716703 1.172700 -0.839228
C 4.067204 0.385408 0.293952
H -2.239797 2.909816 -0.057923
H 0.636150 -2.092903 -0.697116
H -4.176562 -2.894435 0.704689
H -4.873302 1.674936 -1.133684
H -3.535880 2.353493 -2.118272
H -4.490223 3.429863 -1.047682
H -0.216489 -4.413407 -0.333259
H -2.575922 -4.830862 0.369262
H 2.105974 2.032823 -2.022117
H 0.869700 -0.376241 1.370729
H -4.441671 1.806910 1.442347
H 5.509418 -0.358743 1.404423


