%chk=000051799.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051799

0 1
 Br  -3.564600      -1.465400       2.871800    
 Br  -3.567100      -1.455400      -2.872500    
 O    2.386300       1.540700      2.2000000E-03
 O    1.349100      -2.920800     -4.3000001E-03
 O   -4.716800      -1.382300      1.9999999E-04
 C   3.7700001E-02   1.338500      1.4000000E-03
 C    1.322900      0.6953000      1.5000000E-03
 C    1.741900     -0.6150000     -3.9999999E-04
 C    3.161400     -0.5813000     -6.0000003E-04
 C  -0.5965000       1.653400       1.209300    
 C  -0.5949000       1.655900      -1.206600    
 C    3.507500      0.7661000      1.1000000E-03
 C   -2.467900       2.589000      1.2000001E-03
 C   -1.844600       2.276300       1.209200    
 C   -1.843100       2.278800      -1.206700    
 C   0.8799000      -1.762400     -2.4000001E-03
 C    4.190500      -1.539100     -2.0999999E-03
 C   3.7799999E-02   1.334600       2.526000    
 C   4.1600000E-02   1.340800      -2.522600    
 C    4.819700       1.235900      2.2000000E-03
 C  -0.6211000      -1.660300     -1.9000000E-03
 C    5.520500      -1.096900     -1.4000000E-03
 C   -3.801100       3.257300     -1.9999999E-04
 C    5.826900      0.2662000      8.9999998E-04
 C   -1.267500      -1.614000      -1.209500    
 C   -1.266600      -1.618600       1.206400    
 C   -2.658200      -1.523800       1.207100    
 C   -2.659200      -1.519300      -1.208800    
 C   -3.354500      -1.474200     -5.0000002E-04
 H   -2.334000       2.522800       2.148500    
 H   -2.331400       2.527300      -2.146000    
 H    3.977700      -2.603600     -3.7000000E-03
 H   0.8113000       2.075500       2.754200    
 H  -0.6969000       1.356100       3.338800    
 H   0.4890000      0.3394000       2.546200    
 H   0.4913000      0.3451000      -2.545300    
 H  -0.6912000       1.366300      -3.337100    
 H   0.8166000       2.081400      -2.746800    
 H    5.049200       2.294800      3.8000001E-03
 H    6.325700      -1.827100     -2.4999999E-03
 H   -3.676700       4.344600     -1.5500000E-02
 H   -4.391300       2.958100     -0.8731000    
 H   -4.382000       2.982800      0.8870000    
 H    6.867900      0.5796000      1.5000000E-03
 H  -0.7143000      -1.667000      -2.142400    
 H  -0.7128000      -1.675000       2.138600    
 H   -5.023500      -1.359700      0.9232000    


%chk=000051799-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000051799

0 1
Br -3.914602 -3.539888 2.533222
Br -3.163742 -1.163433 -2.712439
O 2.404307 1.543841 -0.607782
O 1.408016 -2.278184 1.831553
O -4.617273 -2.527987 -0.378057
C 0.012126 1.601467 -0.087006
C 1.275630 0.838953 -0.100435
C 1.668108 -0.431271 0.345748
C 3.116187 -0.528982 0.146721
C -0.672032 1.849341 1.143783
C -0.512768 2.112886 -1.319051
C 3.521093 0.687374 -0.463140
C -2.440570 3.062281 -0.095779
C -1.886608 2.576767 1.110488
C -1.730379 2.824951 -1.298959
C 0.863101 -1.501074 0.978826
C 4.091271 -1.523794 0.403183
C -0.135894 1.382774 2.487313
C 0.200622 1.891070 -2.642329
C 4.835917 0.979935 -0.848050
C -0.578636 -1.713152 0.611909
C 5.425031 -1.256848 0.026282
C -3.763429 3.805508 -0.110216
C 5.794388 -0.026944 -0.589980
C -1.112470 -1.353067 -0.651614
C -1.405544 -2.382719 1.551747
C -2.740082 -2.642590 1.230578
C -2.450408 -1.639626 -0.963744
C -3.303422 -2.281667 -0.027204
H -2.407484 2.773084 2.055988
H -2.139776 3.198524 -2.245900
H 3.810725 -2.457969 0.895869
H 0.966510 1.389164 2.524131
H -0.511571 2.030345 3.298059
H -0.462181 0.350661 2.717850
H 0.532403 0.842635 -2.766181
H -0.459824 2.140072 -3.489758
H 1.108954 2.515555 -2.714653
H 5.101662 1.931651 -1.315960
H 6.198061 -2.008878 0.217648
H -3.729021 4.680536 -0.784063
H -4.579259 3.149315 -0.470834
H -4.042340 4.158790 0.897324
H 6.840243 0.145329 -0.865693
H -0.475471 -0.876875 -1.399695
H -0.971572 -2.693895 2.506197
H -5.093398 -2.992569 0.363504


