%chk=000047354.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047354

0 1
 Br   6.136000     -0.6713000       1.829500    
 Br   5.928200      0.2460000      -1.197400    
 O   0.7686000     -0.5405000     -0.3463000    
 O    2.977300      -1.025100     -0.8310000    
 O   -4.206000     -0.5827000     -0.1957000    
 N    1.004000      -3.209100      -2.435000    
 C    1.882500       2.146300      0.3024000    
 C    3.324600       1.885800     -2.0000000E-02
 C    2.246100       1.226100     -0.8185000    
 C    1.352400       1.577800       1.575800    
 C    1.266400       3.454600     -6.7299999E-02
 C    4.139500       1.058800      0.8572000    
 C    2.054700     -0.2393000     -0.6697000    
 C    5.224100      0.3333000      0.5349000    
 C   0.4892000      -1.937300     -0.1822000    
 C  -0.9206000      -2.124900      0.2660000    
 C   0.7832000      -2.646800      -1.444000    
 C   -1.915800      -1.254900     -0.1795000    
 C   -1.244300      -3.170800       1.130500    
 C   -3.234700      -1.430900      0.2393000    
 C   -2.562900      -3.346800       1.549300    
 C   -3.558100      -2.476900       1.103600    
 C   -3.929600      0.7742000     -0.1814000    
 C   -3.325500       1.326900      0.9333000    
 C   -4.265400       1.541400      -1.282000    
 C   -3.047800       2.693700      0.9479000    
 C   -3.987600       2.908300      -1.267400    
 C   -3.378800       3.484300     -0.1523000    
 H    3.868700       2.697200     -0.4948000    
 H    2.121200       1.582900      -1.836400    
 H   0.2575000       1.531300       1.539700    
 H    1.619700       2.226700       2.417900    
 H    1.697200      0.5687000       1.821800    
 H    1.413200       4.189100      0.7317000    
 H   0.1898000       3.340600     -0.2331000    
 H    1.700300       3.872700     -0.9824000    
 H    3.867600       1.068000       1.911100    
 H    1.155900      -2.305600      0.6096000    
 H   -1.666300     -0.4629000     -0.8814000    
 H  -0.4793000      -3.857000       1.484200    
 H   -2.815000      -4.161200       2.222100    
 H   -4.583700      -2.618900       1.433500    
 H   -3.078500      0.7374000       1.811300    
 H   -4.738900       1.094100      -2.150700    
 H   -2.576800       3.143100       1.817300    
 H   -4.245100       3.524000      -2.124200    
 H   -3.162600       4.548600     -0.1408000    


%chk=000047354-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000047354

0 1
Br 7.377836 -1.471192 0.288591
Br 7.284305 1.720566 -0.455538
O 0.817373 -0.046545 -0.775441
O 2.307352 -1.242919 0.575823
O -4.720193 -0.462287 0.247931
N -0.562135 -1.313940 -3.612879
C 3.105827 1.679490 1.616163
C 4.098372 1.348651 0.483254
C 2.553925 1.186402 0.240136
C 3.020661 0.786814 2.851092
C 2.877578 3.163677 1.904739
C 4.991029 0.166855 0.530464
C 1.940855 -0.149117 0.072440
C 6.301219 0.154754 0.183375
C 0.076232 -1.347489 -1.027253
C -1.115319 -1.461965 -0.088406
C -0.277764 -1.317772 -2.455474
C -2.356701 -0.865446 -0.412781
C -0.948714 -2.157139 1.134763
C -3.424496 -0.959007 0.507106
C -2.032809 -2.251177 2.035546
C -3.272375 -1.652825 1.729949
C -4.929433 0.646205 -0.619958
C -4.109986 1.797965 -0.589139
C -6.074018 0.582422 -1.442102
C -4.443519 2.894624 -1.414790
C -6.397712 1.689335 -2.257393
C -5.583290 2.846028 -2.251257
H 4.519989 2.219612 -0.030854
H 2.094714 1.950295 -0.392708
H 2.072831 0.973665 3.388844
H 3.854089 1.023423 3.537844
H 3.064339 -0.286395 2.609237
H 3.620304 3.528035 2.638638
H 1.869499 3.328514 2.328298
H 2.971023 3.781694 0.993293
H 4.552363 -0.781696 0.864998
H 0.793345 -2.168216 -0.832361
H -2.493326 -0.352091 -1.370302
H 0.019283 -2.608101 1.376973
H -1.912773 -2.793060 2.979256
H -4.126526 -1.716841 2.410366
H -3.238088 1.842476 0.071199
H -6.688476 -0.322604 -1.430407
H -3.813219 3.790484 -1.396873
H -7.283881 1.644601 -2.899652
H -5.834986 3.700236 -2.888347


