%chk=000047310.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047310

0 1
 Br  -5.175600      -1.415400       1.289400    
 Br  -1.623600      -2.627900      -1.421500    
 O   0.9573000      0.8995000      2.3600001E-02
 O   -2.917300     -0.2402000      0.1691000    
 O   -4.658800       1.265300      0.1065000    
 O  -0.4696000       1.731500      -1.572100    
 N   -1.107200       1.549900      0.6527000    
 C    3.191000      0.1366000     -0.3417000    
 C    1.962100      0.7144000     -0.9798000    
 C   -2.439700       2.068100      0.5357000    
 C    4.169700      0.9864000      0.1616000    
 C    3.339900      -1.243500     -0.2589000    
 C    5.312200      0.4493000      0.7550000    
 C    4.482300      -1.780300      0.3347000    
 C   -3.469300       1.001600      0.2459000    
 C   -3.794800      -1.347400     -9.8399997E-02
 C  -0.2284000       1.422600     -0.4098000    
 C    5.468400     -0.9339000      0.8416000    
 C   -2.998300      -2.636500     -3.3599999E-02
 H    1.586400      3.9299998E-02  -1.758900    
 H    2.196300       1.677100      -1.451100    
 H   -2.690100       2.543100       1.488400    
 H   -2.469300       2.804800     -0.2727000    
 H    4.057200       2.065400      0.1015000    
 H    2.576900      -1.911800     -0.6484000    
 H  -0.7911000       1.242500       1.567500    
 H    6.079700       1.108300       1.150200    
 H    4.603700      -2.857500      0.4030000    
 H   -4.293800      -1.209800      -1.063700    
 H    6.357700      -1.352100       1.304000    
 H   -2.452100      -2.743100      0.9088000    
 H   -3.613200      -3.523900     -0.2072000    


%chk=000047310-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000047310

0 1
Br -2.594277 -1.763605 2.750832
Br -1.090585 -2.939984 -1.622056
O 0.943913 2.352885 0.125136
O -2.032549 -0.378668 0.294887
O -4.295194 0.080906 -0.123147
O -0.116272 1.679010 -1.879062
N -1.321456 2.232750 0.056139
C 2.747642 0.660315 -0.121153
C 2.284840 2.053749 -0.488736
C -2.610327 1.851421 -0.491191
C 3.641543 0.461411 0.961073
C 2.282136 -0.465900 -0.850223
C 4.064032 -0.839958 1.315039
C 2.699889 -1.767463 -0.494234
C -3.112715 0.459882 -0.091261
C -2.345317 -1.723523 0.697319
C -0.163969 2.046203 -0.676368
C 3.592971 -1.957682 0.587667
C -1.173612 -2.630973 0.383296
H 2.187971 2.182871 -1.580495
H 2.936433 2.832072 -0.062284
H -3.399378 2.571392 -0.213354
H -2.525042 1.858059 -1.594918
H 4.005547 1.326943 1.528564
H 1.588305 -0.316656 -1.685425
H -1.223353 2.449133 1.048400
H 4.757938 -0.981914 2.151030
H 2.336102 -2.628553 -1.066424
H -3.323575 -2.051973 0.313112
H 3.922940 -2.967298 0.857690
H -0.212054 -2.176509 0.663040
H -1.303928 -3.625944 0.828508


