%chk=000050511.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050511

0 1
 Br   3.647500       2.124800      -1.645900    
 Br   4.436500      -3.070500       1.964100    
 O    2.153400      -1.332900       1.854300    
 O   0.8498000       3.178500     -0.9385000    
 N   -2.215200       1.290400      0.8754000    
 N   -4.677200      0.1408000     -5.4000001E-03
 C   -2.276100      0.5392000     -0.3842000    
 C   -3.484700       1.993200       1.099500    
 C   -3.403500     -0.4958000     -0.3539000    
 C   -4.651600       1.006200       1.180400    
 C   -1.101400       2.237800      0.8545000    
 C   0.2221000       1.543800      0.6715000    
 C   -5.881800     -0.4928000     -0.3311000    
 C   0.4708000      0.3987000       1.425700    
 C    1.155100       2.049300     -0.2298000    
 C    1.708300     -0.2096000       1.224100    
 C    2.672000      0.2577000      0.3364000    
 C    2.392000       1.415300     -0.4107000    
 C   -5.969700      -1.898000     -0.3919000    
 C   -7.043300      0.2555000     -0.6086000    
 C    3.763900     -0.6436000      0.4424000    
 C    3.398700      -1.587300       1.374500    
 C   -7.170300      -2.529300     -0.7172000    
 C   -8.243900     -0.3758000     -0.9338000    
 C    5.030500     -0.6577000     -0.2358000    
 C   -8.307300      -1.768300     -0.9881000    
 C    6.121400      1.6400000E-02  0.3118000    
 C    5.167500      -1.345600      -1.441100    
 C    7.350900      3.0000000E-03 -0.3467000    
 C    6.397000      -1.358900      -2.099600    
 C    7.488700     -0.6847000      -1.552300    
 H   -2.434900       1.222200      -1.230500    
 H   -1.354200     -1.4000000E-02 -0.5908000    
 H   -3.442800       2.551500       2.042500    
 H   -3.674800       2.719400      0.2975000    
 H   -3.165400      -1.279400      0.3770000    
 H   -3.463700     -0.9628000      -1.344900    
 H   -5.578800       1.582000       1.281700    
 H   -4.557800      0.3832000       2.079300    
 H   -1.053100       2.776900       1.810000    
 H   -1.274100       2.992600      7.7699997E-02
 H  -0.2343000     -4.1999999E-03   2.143300    
 H   -5.108100      -2.524400     -0.1747000    
 H   -7.014900       1.342700     -0.5852000    
 H   -7.220900      -3.613500     -0.7569000    
 H   -9.128700      0.2165000      -1.147600    
 H   -9.242100      -2.259800      -1.241300    
 H    1.603600       3.391500      -1.515300    
 H    6.030600      0.5581000       1.250500    
 H    4.326200      -1.875400      -1.881700    
 H    8.200800      0.5282000      7.9000004E-02
 H    6.504500      -1.894000      -3.038500    
 H    8.446000     -0.6949000      -2.065300    


%chk=000050511-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000050511

0 1
Br 4.140058 2.474313 -1.326944
Br 4.064826 -3.321504 1.835837
O 1.950382 -1.536513 1.355210
O 1.145236 3.355866 -1.177876
N -2.269343 1.316368 0.236582
N -4.896094 0.124258 -0.030342
C -2.611538 0.471664 -0.933933
C -3.477130 2.034004 0.708901
C -3.705651 -0.551575 -0.580446
C -4.568192 1.024424 1.099802
C -1.127491 2.218776 -0.031200
C 0.215514 1.497378 0.025188
C -6.152913 -0.535223 -0.061467
C 0.360148 0.266198 0.692064
C 1.362069 2.112334 -0.571563
C 1.629886 -0.315408 0.712608
C 2.799975 0.237643 0.110067
C 2.635431 1.492341 -0.527252
C -6.286312 -1.877689 -0.531108
C -7.343764 0.144908 0.341697
C 3.901797 -0.694555 0.381816
C 3.327987 -1.712339 1.130712
C -7.552293 -2.498064 -0.603320
C -8.599362 -0.488753 0.275038
C 5.324689 -0.628748 -0.038312
C -8.721553 -1.816534 -0.200376
C 6.358343 -0.575324 0.933160
C 5.675693 -0.655746 -1.413878
C 7.713767 -0.542728 0.538498
C 7.030402 -0.621354 -1.808165
C 8.054253 -0.563509 -0.833666
H -2.966576 1.101405 -1.788269
H -1.706158 -0.068913 -1.263660
H -3.209763 2.638226 1.595787
H -3.881694 2.722581 -0.075314
H -3.292135 -1.298003 0.138204
H -3.987050 -1.083711 -1.505271
H -5.467514 1.572270 1.419430
H -4.204562 0.429460 1.969412
H -1.131429 3.018401 0.736317
H -1.216526 2.740812 -1.012692
H -0.513151 -0.185803 1.168565
H -5.403346 -2.455222 -0.819833
H -7.296285 1.185155 0.679499
H -7.617973 -3.530772 -0.965941
H -9.492776 0.065933 0.585450
H -9.700632 -2.303722 -0.253142
H 1.997213 3.699995 -1.561009
H 6.095611 -0.551380 1.996607
H 4.886030 -0.709341 -2.171153
H 8.500594 -0.497827 1.299535
H 7.286806 -0.644882 -2.873163
H 9.105694 -0.537373 -1.140890


