%chk=000027265.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000027265

0 1
 Br  -3.147700      -1.363600      -3.007500    
 Br   3.084300       1.503400       3.059300    
 O   0.3663000      -1.773400     -0.2350000    
 O  -0.3494000       1.798900      0.1390000    
 O   -2.602100      0.3724000     -0.1410000    
 O    2.561400     -0.3754000      0.2409000    
 O  -0.6248000      -2.997900       1.454700    
 O   0.7262000       2.938200      -1.558600    
 O   -3.392800     -0.9501000       1.580200    
 O    3.397400      0.8659000      -1.518900    
 C  -0.4108000     -0.6282000      0.1323000    
 C   0.4357000      0.6327000     -0.1407000    
 C   -1.770500     -0.6959000     -0.5909000    
 C    1.753700      0.7382000      0.6472000    
 C   -1.601500     -0.5812000      -2.103300    
 C    1.562100      0.6689000       2.156700    
 C   0.1533000      -2.890600      0.5165000    
 C  -9.3900003E-02   2.878100     -0.6525000    
 C   -3.363500      0.1043000      0.9602000    
 C    3.333300     -0.1639000     -0.8611000    
 C    1.028400      -4.001500      2.0600000E-02
 C  -0.9829000       4.014900     -0.2484000    
 C   -4.179500       1.310000       1.315900    
 C    4.117400      -1.404200      -1.165500    
 H  -0.6159000     -0.6320000       1.211200    
 H   0.6886000      0.5976000      -1.209200    
 H   -2.236000      -1.666300     -0.3727000    
 H    2.245100       1.688000      0.3990000    
 H  -0.7477000      -1.148400      -2.482700    
 H   -1.550500      0.4555000      -2.447300    
 H   0.6946000       1.239300       2.498400    
 H    1.516300     -0.3558000       2.535500    
 H   0.8562000      -4.163100      -1.046700    
 H   0.7793000      -4.924000      0.5526000    
 H    2.076600      -3.757700      0.2093000    
 H   -2.029800       3.733000     -0.3868000    
 H  -0.7693000       4.883800     -0.8773000    
 H  -0.7907000       4.283500      0.7933000    
 H   -3.517900       2.146100       1.556300    
 H   -4.793400       1.086900       2.193100    
 H   -4.840400       1.568400      0.4848000    
 H    4.692200      -1.707200     -0.2865000    
 H    4.817900      -1.199100      -1.980000    
 H    3.439200      -2.202400      -1.476600    


%chk=000027265-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000027265

0 1
Br -3.377663 -0.958059 -3.122410
Br 3.372091 0.954794 3.114643
O 0.148963 -1.852721 -0.300535
O -0.156158 1.847904 0.292607
O -2.692693 0.559699 -0.223059
O 2.685822 -0.563744 0.215273
O 0.430049 -2.522470 1.922140
O -0.431508 2.518562 -1.930526
O -3.551570 -0.782530 1.484260
O 3.558197 0.783635 -1.481515
C -0.498091 -0.581638 0.135977
C 0.491888 0.576970 -0.143016
C -1.837145 -0.573729 -0.661322
C 1.830846 0.569867 0.654190
C -1.660797 -0.466094 -2.171644
C 1.654873 0.462658 2.164596
C 0.564902 -2.755218 0.703787
C -0.569108 2.751074 -0.712417
C -3.546719 0.304939 0.870586
C 3.547135 -0.306215 -0.872390
C 1.194057 -3.977074 0.083798
C -1.199265 3.972950 -0.093530
C -4.398312 1.517186 1.164219
C 4.397677 -1.519340 -1.165385
H -0.734636 -0.649860 1.213818
H 0.728504 0.644750 -1.220895
H -2.350511 -1.515216 -0.390624
H 2.344208 1.511234 0.383016
H -0.915194 -1.193942 -2.523510
H -1.420272 0.552127 -2.507155
H 0.909401 1.190657 2.516488
H 1.414440 -0.555486 2.500410
H 0.756942 -4.197001 -0.901963
H 1.075823 -4.837029 0.760020
H 2.275398 -3.789029 -0.048027
H -2.280308 3.783835 0.039332
H -1.082412 4.832216 -0.770832
H -0.761804 4.194479 0.891731
H -3.786439 2.289715 1.665042
H -5.223649 1.233446 1.832993
H -4.793850 1.947957 0.230074
H 4.791049 -1.950927 -0.230664
H 5.224655 -1.236269 -1.832390
H 3.785684 -2.290964 -1.667392


