%chk=000047311.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047311

0 1
 Br  -4.928600      -2.724700      -1.889900    
 Br  -3.675200      -4.158300       2.276000    
 O   -3.194500      -1.662700      1.3000000E-02
 O    1.966300     -0.4024000      0.1425000    
 O   -1.617400      -1.953100      -1.648500    
 O   0.3220000     -0.9244000       1.658700    
 N  -0.1737000     -6.0000003E-04 -0.4112000    
 C   -1.609100      5.3199999E-02 -0.2785000    
 C   -2.188000       1.191000      -1.120500    
 C   -2.033100       2.553100     -0.4899000    
 C   -2.112600      -1.301100     -0.7380000    
 C  -0.8955000       3.317100     -0.7502000    
 C   -3.027700       3.048300      0.3537000    
 C   0.6703000     -0.4844000      0.5679000    
 C  -0.7524000       4.576100     -0.1670000    
 C   -2.884600       4.307300      0.9367000    
 C   -1.747100       5.071100      0.6765000    
 C    2.956700     -0.8728000       1.063600    
 C   -3.815900      -2.924500     -0.2868000    
 C    4.315000     -0.7133000      0.4462000    
 C    4.860700      -1.746900     -0.3154000    
 C    5.031900      0.4687000      0.6331000    
 C   -4.725100      -3.318400      0.8617000    
 C    6.123200      -1.598600     -0.8896000    
 C    6.294300      0.6169000      5.8699999E-02
 C    6.839900     -0.4168000     -0.7027000    
 H   -1.849700      0.1740000      0.7851000    
 H   -1.743900       1.200000      -2.125600    
 H   -3.258800       1.012100      -1.290800    
 H   0.2450000      0.2846000      -1.291900    
 H  -0.1137000       2.943500      -1.406100    
 H   -3.917400       2.461400      0.5663000    
 H   0.1334000       5.171100     -0.3696000    
 H   -3.658600       4.692500       1.594000    
 H   -1.635500       6.051300       1.130700    
 H    2.895800     -0.2998000       1.997300    
 H    2.770400      -1.927600       1.300700    
 H   -3.070200      -3.693000     -0.5190000    
 H    4.311000      -2.671500     -0.4701000    
 H    4.616500       1.282000       1.222300    
 H   -5.224300      -2.460700       1.321800    
 H   -5.465600      -4.074000      0.5836000    
 H    6.547800      -2.403000      -1.483000    
 H    6.852400       1.537400      0.2036000    
 H    7.822700     -0.3011000      -1.150200    


%chk=000047311-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000047311

0 1
Br -5.978681 -1.654609 -1.962245
Br -5.038506 -3.444648 2.364309
O -3.835248 -1.523772 -0.043707
O 1.928830 -1.655768 -0.121037
O -2.401406 -2.743380 -1.445579
O 0.602552 -0.648818 1.558333
N -0.236513 -1.161328 -0.575259
C -1.589723 -0.688665 -0.314707
C -1.955418 0.621689 -1.112698
C -1.108437 1.805027 -0.677819
C -2.587162 -1.782397 -0.679639
C 0.122554 2.094484 -1.318671
C -1.525193 2.627170 0.400709
C 0.744298 -1.107146 0.394278
C 0.921605 3.178677 -0.891670
C -0.731208 3.713486 0.828903
C 0.496458 3.991982 0.183568
C 3.111021 -1.624709 0.806572
C -4.925993 -2.410756 -0.349951
C 3.966251 -0.397356 0.575553
C 5.179574 -0.492884 -0.151330
C 3.564213 0.863877 1.089101
C -5.893814 -2.454848 0.813831
C 5.982399 0.650778 -0.364151
C 4.362316 2.007565 0.870863
C 5.574370 1.904541 0.147120
H -1.666315 -0.469804 0.765098
H -1.819595 0.414812 -2.191178
H -3.028237 0.826357 -0.942834
H -0.028417 -1.639018 -1.454167
H 0.459062 1.468986 -2.154039
H -2.476445 2.416877 0.906154
H 1.873941 3.383925 -1.393056
H -1.068087 4.341093 1.661616
H 1.112550 4.836215 0.513471
H 2.723137 -1.664539 1.839441
H 3.651098 -2.552321 0.560259
H -4.568603 -3.387132 -0.711215
H 5.495899 -1.464305 -0.551584
H 2.624091 0.940341 1.647075
H -6.137385 -1.450009 1.185936
H -6.798058 -3.024023 0.561223
H 6.920575 0.564788 -0.923761
H 4.042173 2.976368 1.270780
H 6.196579 2.792197 -0.014696


