%chk=000066980.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000066980

0 1
 Br   5.926800      -1.684600     -0.2041000    
 O    4.494000       1.957000     -0.5761000    
 O    5.532800      0.9861000       1.197700    
 C   -1.937400     -0.4756000      0.2958000    
 C  -0.6209000      4.7699999E-02 -0.2871000    
 C   -3.174500      0.2025000     -0.2974000    
 C   0.6115000     -0.6834000      0.2507000    
 C   -4.459600     -0.3476000      0.3255000    
 C    1.922000     -0.2146000     -0.3907000    
 C   -5.696500      0.3507000     -0.2421000    
 C    3.188500     -0.9448000      7.4600004E-02
 C   -6.977500     -0.1756000      0.4048000    
 C    4.483100     -0.3967000     -0.5157000    
 C   -8.212000      0.4915000     -0.1803000    
 C    4.919700      0.8872000      0.1444000    
 H   -2.002500      -1.556500      0.1201000    
 H   -1.928000     -0.3315000       1.383400    
 H  -0.5297000       1.119400     -7.2400004E-02
 H  -0.6494000     -5.5300001E-02  -1.379000    
 H   -3.114300       1.284000     -0.1259000    
 H   -3.194100      4.6999998E-02  -1.382700    
 H   0.6710000     -0.5446000       1.336900    
 H   0.4973000      -1.760100      7.4400000E-02
 H   -4.527100      -1.426200      0.1388000    
 H   -4.428000     -0.2089000       1.413100    
 H    2.032000      0.8577000     -0.1890000    
 H    1.841800     -0.3181000      -1.480200    
 H   -5.619500       1.431900     -7.4400000E-02
 H   -5.739600      0.1942000      -1.326800    
 H    3.232900     -0.9055000       1.171200    
 H    3.075300      -2.004400     -0.1893000    
 H   -6.949300      2.7999999E-03   1.486000    
 H   -7.051700      -1.259200      0.2565000    
 H    4.439000     -0.2848000      -1.603100    
 H   -8.287400      0.3028000      -1.256000    
 H   -9.116200      0.1010000      0.2971000    
 H   -8.184800       1.574300     -2.2200000E-02
 H    4.747500       2.805800     -0.1547000    


%chk=000066980-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000066980

0 1
Br 6.074350 -1.554869 0.098380
O 5.570855 1.725781 -0.914913
O 4.513208 1.528709 1.147900
C -1.944364 -0.566216 0.253290
C -0.625801 0.018888 -0.300924
C -3.200624 0.187903 -0.238004
C 0.629455 -0.735085 0.192362
C -4.520657 -0.395593 0.314462
C 1.944837 -0.146124 -0.367386
C -5.776804 0.359182 -0.176280
C 3.187867 -0.918592 0.148554
C -7.097245 -0.222086 0.378847
C 4.485182 -0.368322 -0.443643
C -8.346560 0.537697 -0.117401
C 4.836223 1.029319 0.049636
H -2.022284 -1.635095 -0.036703
H -1.916004 -0.546674 1.362833
H -0.549004 1.087458 -0.010598
H -0.654753 -0.001224 -1.410564
H -3.123066 1.256652 0.052552
H -3.228672 0.169475 -1.347783
H 0.661450 -0.709928 1.300953
H 0.552648 -1.804268 -0.095524
H -4.599122 -1.464383 0.023883
H -4.492893 -0.377282 1.424239
H 2.019223 0.919537 -0.073885
H 1.916355 -0.176571 -1.476405
H -5.699106 1.428529 0.112489
H -5.807551 0.339405 -1.286036
H 3.236921 -0.854146 1.250583
H 3.098505 -1.986318 -0.123810
H -7.066104 -0.201195 1.487488
H -7.174183 -1.290596 0.090846
H 4.514907 -0.400901 -1.543305
H -8.419608 0.501926 -1.220959
H -9.276196 0.105588 0.296778
H -8.306601 1.602673 0.180469
H 5.820417 2.622348 -0.560625


