%chk=000089919.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000089919

0 1
 Br   5.718900       3.761900      -1.366700    
 Br   6.177400      -3.783300      0.9473000    
 O  -0.9763000     -0.3420000      9.0099998E-02
 O  -0.9665000       1.760700       1.098200    
 O   -6.962500      -1.114300      -1.251800    
 O   -5.026600      -1.533700      -2.198100    
 N    4.573700     -7.0699997E-02 -0.1331000    
 N   -5.713600      -1.000900      -1.293500    
 C    5.228000      0.9835000     -0.8826000    
 C    5.384500      -1.061900      0.5459000    
 C    3.166200     -0.1387000     -7.6399997E-02
 C    2.401100      0.3429000      -1.138600    
 C    2.539000     -0.6885000       1.041700    
 C    4.847700       2.349200     -0.3442000    
 C    5.094800      -2.454100      1.8900000E-02
 C   0.4184000     -0.2732000      3.3700000E-02
 C    1.009100      0.2749000      -1.082800    
 C    1.146900     -0.7566000       1.097500    
 C   -3.025900      0.6337000      0.6824000    
 C   -1.578900      0.7778000      0.6583000    
 C   -3.669700     -0.1067000     -0.3092000    
 C   -3.769800       1.234900       1.697600    
 C   -5.057300     -0.2458000     -0.2855000    
 C   -5.157500       1.095800       1.721200    
 C   -5.801200      0.3554000      0.7297000    
 H    6.319100      0.8780000     -0.8231000    
 H    5.004200      0.8965000      -1.952900    
 H    6.452100     -0.8502000      0.4027000    
 H    5.239700      -1.005500       1.631600    
 H    2.847400      0.7611000      -2.035300    
 H    3.094600      -1.058300       1.897800    
 H    5.170300       2.476700      0.6937000    
 H    3.779800       2.569500     -0.4057000    
 H    5.342800      -2.542200      -1.043400    
 H    4.061300      -2.776400      0.1628000    
 H   0.4129000      0.6452000      -1.911000    
 H   0.6580000      -1.181300       1.968600    
 H   -3.085600     -0.5604000      -1.106600    
 H   -3.283700       1.812500       2.479700    
 H   -5.736400       1.563300       2.512300    
 H   -6.883500      0.2682000      0.7805000    


%chk=000089919-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000089919

0 1
Br 6.862168 3.489397 0.080023
Br 6.189851 -4.066575 -0.642788
O -1.101191 0.199400 0.185548
O -1.585599 2.450794 -0.304454
O -6.768215 -2.371505 1.200018
O -4.575918 -2.999071 1.195426
N 4.567660 -0.125169 -0.167217
N -5.510701 -2.121472 1.052572
C 5.411651 1.016203 -0.563323
C 5.250960 -1.394087 0.139852
C 3.161432 -0.006741 -0.085539
C 2.506279 1.240691 -0.315883
C 2.338728 -1.133066 0.230463
C 5.734807 1.902256 0.656633
C 5.278550 -2.310680 -1.099828
C 0.323587 0.238061 0.071339
C 1.105571 1.372116 -0.245099
C 0.942407 -1.007130 0.310088
C -3.380046 0.882394 0.189092
C -1.954472 1.289334 -0.007425
C -3.749274 -0.440021 0.529441
C -4.379702 1.877437 0.022729
C -5.116357 -0.731996 0.695016
C -5.742493 1.556032 0.194697
C -6.126881 0.241897 0.534279
H 6.353319 0.636515 -0.997282
H 4.920975 1.613599 -1.351661
H 6.286708 -1.179824 0.457071
H 4.764891 -1.909106 0.986947
H 3.082742 2.139767 -0.550947
H 2.776143 -2.118510 0.411975
H 6.337713 1.373452 1.410380
H 4.834557 2.333104 1.118599
H 5.867196 -1.881491 -1.924816
H 4.271851 -2.583214 -1.448917
H 0.636079 2.339043 -0.427326
H 0.320341 -1.874431 0.551094
H -2.998418 -1.220901 0.662337
H -4.064035 2.892136 -0.240391
H -6.506357 2.328575 0.064393
H -7.173610 -0.040214 0.674581


