%chk=000173292.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000173292

0 1
 Br  -4.858500      -1.514000       1.919500    
 Br   4.904700       1.533200      -1.820900    
 O   -5.951300     -4.6399999E-02 -0.6080000    
 O    5.920700      1.8100001E-02  0.7105000    
 C  -0.3891000      0.6859000      8.3999997E-03
 C   0.3767000     -0.6866000     -7.8000002E-02
 C  -7.4600004E-02   1.473200       1.306000    
 C   9.5100001E-02  -1.445600      -1.399800    
 C   -1.896000      0.4822000     -0.1500000    
 C    1.878800     -0.4897000      0.1275000    
 C  -0.6896000       2.869800       1.341600    
 C   0.7933000      -2.799800      -1.491900    
 C   -2.561400     -0.2800000      0.7832000    
 C    2.572800      0.2864000     -0.7729000    
 C   -2.531200       1.068600      -1.221100    
 C    2.481700      -1.097000       1.205700    
 C   -3.936200     -0.4658000      0.6376000    
 C    3.943300      0.4652000     -0.5848000    
 C   -3.905900      0.8825000      -1.366900    
 C    3.852200     -0.9185000       1.393500    
 C   -4.608500      0.1155000     -0.4375000    
 C    4.583100     -0.1373000      0.4983000    
 H  -4.4700000E-02   1.311100     -0.8276000    
 H   1.1400000E-02  -1.329200      0.7353000    
 H    1.007200       1.607700       1.411800    
 H  -0.4020000      0.9154000       2.191400    
 H  -0.9804000      -1.630900      -1.498600    
 H   0.3840000     -0.8378000      -2.265700    
 H  -0.3861000       3.453600      0.4668000    
 H   -1.782300       2.830500       1.371700    
 H  -0.3538000       3.403300       2.236800    
 H   0.5466000      -3.426900     -0.6294000    
 H   0.4678000      -3.325800      -2.395400    
 H    1.880700      -2.695200      -1.547700    
 H   -2.039000     -0.7301000       1.622100    
 H    2.075200      0.7527000      -1.617900    
 H   -1.994400       1.667200      -1.950300    
 H    1.922600      -1.706600       1.908500    
 H   -4.423100       1.338300      -2.206900    
 H    4.336500      -1.394200       2.242200    
 H   -6.285600     -0.6012000      0.1179000    
 H    6.177400     -0.4744000       1.508900    


%chk=000173292-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000173292

0 1
Br -5.062443 -1.493613 1.917047
Br 5.041207 1.516564 -1.922378
O -6.085102 -0.021408 -0.721750
O 6.097347 0.094135 0.598281
C -0.385837 0.682892 0.034194
C 0.395649 -0.684990 -0.056856
C -0.071036 1.437114 1.359207
C 0.086038 -1.434447 -1.385968
C -1.890898 0.485271 -0.154295
C 1.900010 -0.489698 0.137673
C -0.700818 2.844434 1.434028
C 0.713029 -2.842898 -1.461781
C -2.642893 -0.268271 0.784515
C 2.656760 0.273785 -0.790973
C -2.581057 1.049137 -1.257810
C 2.584929 -1.064983 1.234406
C -4.024978 -0.442278 0.605383
C 4.040195 0.456461 -0.621801
C -3.967263 0.873707 -1.432722
C 3.973577 -0.886342 1.407608
C -4.715558 0.120013 -0.498533
C 4.720071 -0.120165 0.479895
H -0.028850 1.319648 -0.803276
H 0.034125 -1.324190 0.777152
H 1.026416 1.521815 1.465235
H -0.420546 0.826715 2.217669
H -1.011017 -1.515850 -1.498943
H 0.442503 -0.822566 -2.240146
H -0.350133 3.478851 0.597702
H -1.803535 2.800461 1.383652
H -0.423142 3.349868 2.376879
H 0.358298 -3.478976 -0.628182
H 0.437748 -3.345091 -2.407011
H 1.815644 -2.800734 -1.407990
H -2.152873 -0.715523 1.655242
H 2.166770 0.730165 -1.657415
H -2.022394 1.637497 -1.994729
H 2.027184 -1.661748 1.965098
H -4.500294 1.308941 -2.283063
H 4.484525 -1.342336 2.265712
H -6.498486 -0.565118 0.000961
H 6.455231 -0.358852 1.401983


