%chk=000157028.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000157028

0 1
 Br   6.152200     -0.5173000      0.4699000    
 O    3.584900       1.341700      0.4399000    
 C   -2.992400     -0.7632000      0.2366000    
 C   -1.516200     -0.3914000      0.6217000    
 C  -0.4406000      -1.086500     -0.2299000    
 C   -1.322200       1.115000      0.5335000    
 C   -3.451700     -1.1200000E-02  -1.002400    
 C   -3.141700      -2.277100     -9.2000002E-03
 C   -3.945100     -0.3790000       1.391800    
 C   -1.673400       1.749500     -0.7915000    
 C   -2.854700       1.101400      -1.456000    
 C   0.9229000     -0.8366000      0.3303000    
 C  -0.9075000       1.845400       1.580100    
 C    1.977000     -0.2742000     -0.2945000    
 C    3.331600     -6.2799998E-02  0.3553000    
 C    1.837200      0.1802000      -1.727100    
 C    4.439700     -0.7339000     -0.4485000    
 H   -1.365800     -0.7158000       1.662900    
 H  -0.5533000     -0.8515000      -1.289100    
 H  -0.5733000      -2.173400     -0.1672000    
 H   -4.323100     -0.3860000      -1.534100    
 H   -2.741600      -2.854900      0.8317000    
 H   -4.195900      -2.558200     -0.1251000    
 H   -2.631900      -2.598900     -0.9241000    
 H   -3.675600     -0.9063000       2.314100    
 H   -3.922100      0.6957000       1.604700    
 H   -4.984300     -0.6394000       1.156500    
 H  -0.8167000       1.698600      -1.469100    
 H   -1.904800       2.812500     -0.6506000    
 H   -3.242500       1.577600      -2.352400    
 H    1.067300      -1.164900       1.359100    
 H  -0.6744000       1.383900       2.533600    
 H  -0.7893000       2.921100       1.504100    
 H    3.320400     -0.4488000       1.381900    
 H   0.8173000      0.3163000      -2.080900    
 H    2.324400       1.152500      -1.861800    
 H    2.326100     -0.5360000      -2.395900    
 H    4.282400      -1.809700     -0.5658000    
 H    4.595900     -0.2669000      -1.425400    
 H    4.466000       1.454400      0.8355000    


%chk=000157028-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000157028

0 1
Br 6.139919 -0.451109 0.737314
O 3.772319 1.477741 -0.517787
C -2.997787 -0.789218 0.209752
C -1.557724 -0.420240 0.743206
C -0.421679 -0.997824 -0.165553
C -1.429802 1.096761 0.862567
C -3.328487 0.074426 -1.008359
C -3.101272 -2.290753 -0.177341
C -4.046302 -0.507430 1.328736
C -1.617893 1.856313 -0.443248
C -2.716154 1.251040 -1.302210
C 0.957892 -0.543587 0.257050
C -1.175499 1.723119 2.039182
C 1.986812 -0.165204 -0.555053
C 3.322574 0.216204 0.087562
C 1.931480 -0.101083 -2.070872
C 4.347372 -0.909305 -0.145552
H -1.445428 -0.865851 1.753929
H -0.621621 -0.730679 -1.219082
H -0.467104 -2.104866 -0.112481
H -4.127745 -0.299437 -1.665793
H -2.788189 -2.938632 0.663645
H -4.149476 -2.544582 -0.424409
H -2.483109 -2.539788 -1.057366
H -3.898122 -1.198366 2.181767
H -3.960356 0.527919 1.699934
H -5.073777 -0.652333 0.946406
H -0.662819 1.854598 -1.015665
H -1.837196 2.922231 -0.238752
H -3.010441 1.811118 -2.200859
H 1.127121 -0.519553 1.345853
H -1.038446 1.161467 2.971364
H -1.092449 2.814711 2.106438
H 3.181394 0.343237 1.180972
H 0.895034 -0.038235 -2.441799
H 2.488506 0.783396 -2.424014
H 2.390908 -0.993893 -2.540533
H 4.041054 -1.856024 0.322847
H 4.595878 -1.040919 -1.209088
H 4.675813 1.686535 -0.160110


