%chk=000126062.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126062

0 1
 Br   5.865200      -1.141400     -0.5326000    
 O   3.6100000E-02   2.201400      0.6287000    
 N  -0.8082000      4.9699999E-02  0.4483000    
 N   -4.133100       1.458700     -0.4526000    
 C   -2.199700      0.4004000      0.6409000    
 C   -2.866200      0.7622000     -0.7012000    
 C   -2.938700     -0.7226000       1.381500    
 C   -3.128100     -0.4851000      -1.560900    
 C   -3.177400      -1.947900      0.4994000    
 C   -3.878000      -1.582100     -0.8054000    
 C   0.2020000      0.9963000      0.4595000    
 C    1.574000      0.4790000      0.2206000    
 C    2.516100       1.320300     -0.3340000    
 C    1.862000     -0.8269000      0.5596000    
 C    3.803700      0.8341000     -0.5599000    
 C    3.149700      -1.313300      0.3339000    
 C    4.120700     -0.4827000     -0.2258000    
 H   -2.208300       1.285600       1.291100    
 H   -2.223000       1.445300      -1.268900    
 H   -3.905100     -0.3526000       1.745000    
 H   -2.370100      -1.025700       2.269500    
 H   -2.167600     -0.8869000      -1.908400    
 H   -3.689900     -0.2139000      -2.463500    
 H   -3.784500      -2.677900       1.047100    
 H   -2.223900      -2.441100      0.2768000    
 H   -3.952700      -2.473100      -1.439600    
 H   -4.906000      -1.264000     -0.5960000    
 H  -0.6068000     -0.9076000      0.1816000    
 H   -3.963200       2.282800      0.1229000    
 H   -4.770100      0.8702000      8.0499999E-02
 H    2.284000       2.346000     -0.6046000    
 H    1.145900      -1.494000       1.028200    
 H    4.548300       1.493700     -0.9982000    
 H    3.382800      -2.339500      0.6064000    


%chk=000126062-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000126062

0 1
Br 6.105362 -1.012636 -0.526844
O -0.053309 2.169294 0.415981
N -0.822593 -0.020840 0.505271
N -4.177141 1.523894 -0.468692
C -2.231166 0.381400 0.711830
C -2.915844 0.784273 -0.651762
C -3.013004 -0.744842 1.428522
C -3.141019 -0.469705 -1.533507
C -3.250895 -1.981518 0.524523
C -3.938737 -1.577874 -0.802388
C 0.185570 0.917308 0.375542
C 1.586577 0.391492 0.178077
C 2.549475 1.293241 -0.341129
C 1.990901 -0.928487 0.506842
C 3.882826 0.889191 -0.556005
C 3.323764 -1.349087 0.303050
C 4.252828 -0.434194 -0.234440
H -2.202623 1.289273 1.343274
H -2.216897 1.466302 -1.169373
H -3.995611 -0.334009 1.735096
H -2.487495 -1.028952 2.360452
H -2.154647 -0.876111 -1.836638
H -3.664541 -0.157041 -2.454573
H -3.861260 -2.727620 1.068183
H -2.286732 -2.485615 0.294986
H -4.045902 -2.460568 -1.461288
H -4.969369 -1.225893 -0.589506
H -0.619077 -1.009792 0.356238
H -4.069342 2.464390 -0.079821
H -4.940975 0.999599 -0.034261
H 2.229808 2.316332 -0.563338
H 1.290159 -1.638635 0.961556
H 4.617772 1.589039 -0.963230
H 3.633036 -2.364209 0.567270


