%chk=000066401.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000066401

0 1
 Br  -5.216000       1.711000      -1.140400    
 O   -4.731600      -1.524500      0.3871000    
 O    6.131800      5.8899999E-02  0.2876000    
 C   -2.361800     -0.8326000      0.2312000    
 C   -1.770200      0.5289000     -0.1902000    
 C  -0.2932000      0.6568000      0.1838000    
 C   0.5092000     -0.4515000     -0.5632000    
 C   -3.822900     -0.6200000     -0.2165000    
 C   -1.610500      -1.933700     -0.5278000    
 C   -2.771800       1.540600      0.3675000    
 C  -9.0000004E-02  -1.857500     -0.2923000    
 C   -4.128100      0.8274000      0.2193000    
 C   0.2889000       2.023800     -0.1812000    
 C   -2.299600      -1.126600       1.752100    
 C    2.007000     -0.3246000     -0.2984000    
 C    1.716800       2.136000      0.3443000    
 C    2.564500      0.9143000      8.6999997E-02
 C    2.878900      -1.406200     -0.5163000    
 C    3.951200       1.025200      0.2924000    
 C    4.255700      -1.280000     -0.3173000    
 C    4.791700     -6.5700002E-02  9.1300003E-02
 H   -1.830300      0.6135000      -1.288200    
 H  -0.1770000      0.5281000       1.267600    
 H   0.3963000     -0.2716000      -1.643700    
 H   -3.902900     -0.7485000      -1.303300    
 H   -1.797200      -1.839300      -1.605600    
 H   -1.979200      -2.925000     -0.2381000    
 H   -2.567200       1.734800       1.427000    
 H   -2.711700       2.500700     -0.1549000    
 H   0.1468000      -2.170700      0.7316000    
 H   0.3729000      -2.600000     -0.9524000    
 H   -4.717400      0.8853000       1.140000    
 H  -0.3085000       2.837200      0.2452000    
 H   0.2797000       2.157900      -1.270600    
 H   -1.277500      -1.140000       2.139300    
 H   -2.855200     -0.3923000       2.343900    
 H   -2.733300      -2.109200       1.971800    
 H    1.686000       2.300800       1.429000    
 H    2.187700       3.017100     -0.1085000    
 H   -5.626800      -1.267700      0.1074000    
 H    2.507100      -2.369000     -0.8538000    
 H    4.376400       1.975100      0.6102000    
 H    4.897000      -2.140200     -0.4905000    
 H    6.558600     -0.7949000      0.1009000    


%chk=000066401-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000066401

0 1
Br -5.568717 1.707520 -0.915881
O -4.743592 -1.631935 0.295273
O 6.221774 0.089574 0.250982
C -2.372846 -0.835893 0.230409
C -1.772416 0.546182 -0.193915
C -0.290171 0.677969 0.188611
C 0.505036 -0.445754 -0.550981
C -3.840267 -0.616546 -0.233723
C -1.609666 -1.950150 -0.521791
C -2.802580 1.590423 0.321392
C -0.080064 -1.861065 -0.265122
C -4.152976 0.818777 0.276792
C 0.319901 2.049859 -0.169169
C -2.343950 -1.093841 1.760835
C 2.016898 -0.328397 -0.293501
C 1.756893 2.155588 0.377904
C 2.602904 0.913629 0.102926
C 2.881466 -1.432954 -0.501600
C 4.002667 1.011546 0.274258
C 4.278328 -1.339242 -0.330473
C 4.838651 -0.101889 0.060783
H -1.816500 0.577653 -1.307285
H -0.184077 0.533070 1.285144
H 0.342510 -0.254365 -1.638425
H -3.863215 -0.619741 -1.345289
H -1.800960 -1.847407 -1.610789
H -1.983890 -2.947247 -0.221514
H -2.585750 1.901798 1.361170
H -2.822364 2.502667 -0.295892
H 0.156281 -2.149785 0.777549
H 0.415528 -2.609602 -0.911551
H -4.667316 0.780252 1.249485
H -0.294775 2.871232 0.246377
H 0.319972 2.170221 -1.272251
H -1.325323 -1.313366 2.121028
H -2.721866 -0.234372 2.343664
H -2.987306 -1.959559 1.992612
H 1.711970 2.313586 1.475869
H 2.263936 3.047183 -0.038053
H -5.640143 -1.503151 -0.106602
H 2.464985 -2.397267 -0.809027
H 4.461320 1.960263 0.574160
H 4.916608 -2.215892 -0.501881
H 6.717401 -0.747468 0.071791


