%chk=000089589.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000089589

0 1
 Br  -3.511400      -3.039700      1.5000000E-02
 O    1.510600      -1.279800       1.424400    
 O   0.6335000       1.960400       1.720000    
 C  -0.9866000      0.9938000      0.3373000    
 C    1.554300      0.6566000      1.0200000E-02
 C   0.3889000       1.241400      0.7397000    
 C   -2.646000     -0.4450000     -0.6695000    
 C   -1.326500     -0.2078000     -0.2843000    
 C    2.048400     -0.5691000      0.3932000    
 C   -1.966200       1.958300      0.5735000    
 C    2.090600       1.383700      -1.028700    
 C   -3.625600      0.5197000     -0.4331000    
 C   -3.285700       1.721300      0.1883000    
 C    3.137700      -1.097100     -0.3000000    
 C   -3.010300      -1.729800      -1.333200    
 C    3.180000      0.8556000      -1.721700    
 C    3.703500     -0.3847000      -1.357300    
 C    2.110600      -2.537600       1.726100    
 H  -0.5841000     -0.9770000     -0.4750000    
 H   -1.720300       2.902600       1.052300    
 H    1.687100       2.349900      -1.316100    
 H   -4.657400      0.3472000     -0.7278000    
 H   -4.048300       2.472600      0.3714000    
 H    3.598100      -2.052900     -7.4900001E-02
 H   -2.176300      -2.153500      -1.900900    
 H   -3.864500      -1.618600      -2.007900    
 H    3.620500       1.410300      -2.544900    
 H    4.551800     -0.7947000      -1.897700    
 H    3.149200      -2.422000       2.054500    
 H    2.010800      -3.242900      0.8940000    
 H    1.557200      -2.963500       2.569700    


%chk=000089589-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000089589

0 1
Br -2.554503 -3.529462 -0.337160
O 1.004618 -0.948160 1.059750
O 0.625160 2.957891 0.288628
C -0.902309 1.111368 0.140747
C 1.660718 0.887302 -0.342605
C 0.472287 1.715677 0.065520
C -2.575065 -0.556888 -0.553145
C -1.257916 -0.039004 -0.601592
C 1.915828 -0.438132 0.131134
C -1.886890 1.762005 0.929884
C 2.617354 1.495422 -1.195075
C -3.542298 0.091456 0.261110
C -3.198051 1.247285 0.996007
C 3.070184 -1.140515 -0.298233
C -2.943549 -1.759767 -1.359326
C 3.766884 0.802867 -1.625210
C 3.982767 -0.521118 -1.179461
C 1.183285 -2.324880 1.535209
H -0.504598 -0.537268 -1.222405
H -1.601346 2.665441 1.478558
H 2.430880 2.526725 -1.512576
H -4.560311 -0.312958 0.316702
H -3.951268 1.745155 1.615618
H 3.269417 -2.154620 0.059418
H -2.346561 -1.879493 -2.274282
H -4.018475 -1.839461 -1.573388
H 4.483320 1.286015 -2.296695
H 4.870845 -1.073670 -1.506271
H 2.130326 -2.431473 2.098061
H 1.155164 -3.045797 0.696313
H 0.327704 -2.504245 2.201363


