%chk=000051768.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051768

0 1
 Br  -4.047600       3.179800     -0.1635000    
 O  -0.1570000      -1.150000      -1.413100    
 O   -1.267600       1.880000     -0.6316000    
 O   -2.415400      -2.588700      0.6359000    
 N    4.112100     -0.1449000      0.2233000    
 N   0.4435000     -0.7028000      0.7830000    
 C    2.670800      0.1403000      0.2564000    
 C    2.576300       1.272800       1.281000    
 C    3.944200       1.946100       1.264000    
 C    4.757600       1.170000      0.2415000    
 C    1.825400      -1.060500      0.6616000    
 C    4.520000     -0.9243000     -0.9393000    
 C    6.021300      -1.121700     -0.9760000    
 C  -0.4522000     -0.7772000     -0.2808000    
 C   -1.845500     -0.3454000      1.1000000E-03
 C   -2.192600      0.9783000     -0.1896000    
 C   -2.757400      -1.282700      0.4474000    
 C   -3.501600       1.380100      7.5999998E-02
 C   -4.066300     -0.8810000      0.7131000    
 C   -4.438500      0.4505000      0.5274000    
 C   -1.153400       2.048200      -2.041900    
 C   -2.576000      -3.466900     -0.4760000    
 H    2.332300      0.5266000     -0.7162000    
 H    1.784400       1.982300       1.016100    
 H    2.367800      0.9037000       2.292600    
 H    4.402100       1.878100       2.257900    
 H    3.871700       3.005900       1.000000    
 H    5.807300       1.125400      0.5483000    
 H    4.694900       1.669400     -0.7341000    
 H    2.143200      -1.458400       1.632200    
 H    1.915600      -1.868300     -7.2400004E-02
 H    4.054700      -1.915400     -0.8971000    
 H    4.193700     -0.4548000      -1.876000    
 H   0.1113000     -0.3715000       1.684400    
 H    6.281100      -1.836500      -1.764500    
 H    6.397000      -1.526200     -2.9899999E-02
 H    6.558700     -0.1943000      -1.197500    
 H   -4.801500      -1.599300       1.065800    
 H   -5.463000      0.7452000      0.7397000    
 H  -0.7625000       3.051100      -2.235300    
 H  -0.4467000       1.319200      -2.447400    
 H   -2.118900       1.946900      -2.548600    
 H   -2.039800      -3.098400      -1.355300    
 H   -2.167200      -4.443400     -0.2023000    
 H   -3.638200      -3.587000     -0.7113000    


%chk=000051768-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000051768

0 1
Br -4.412122 2.909881 0.264611
O 0.041279 -1.750362 -0.646505
O -1.465873 1.862622 0.414531
O -2.454834 -2.942906 0.315416
N 4.036967 -0.042534 -0.020330
N 0.383164 -0.173597 1.028099
C 2.626545 0.447767 0.032654
C 2.734896 1.962605 0.386472
C 4.200498 2.145821 0.864184
C 4.958409 1.119483 -0.001415
C 1.838121 -0.391899 1.077859
C 4.302176 -1.079483 -1.039169
C 5.640550 -1.805830 -0.811853
C -0.420248 -0.870560 0.152167
C -1.902698 -0.546229 0.202191
C -2.381051 0.797082 0.247159
C -2.858273 -1.605051 0.173397
C -3.770745 1.061399 0.203142
C -4.243427 -1.322393 0.137573
C -4.705203 0.008984 0.144701
C -0.954546 2.448098 -0.847244
C -2.291444 -3.717790 -0.936905
H 2.114968 0.313580 -0.947818
H 2.558000 2.577367 -0.515980
H 1.994657 2.271283 1.147284
H 4.301169 1.878139 1.931676
H 4.571432 3.176225 0.728317
H 5.938795 0.843201 0.425858
H 5.137298 1.533963 -1.027571
H 2.203374 -0.152596 2.092405
H 2.026526 -1.461445 0.885020
H 3.476300 -1.814153 -0.997201
H 4.287649 -0.642285 -2.072194
H -0.031987 0.619434 1.524704
H 5.770334 -2.614803 -1.553925
H 5.667524 -2.247565 0.199982
H 6.500062 -1.118244 -0.911078
H -4.950542 -2.157377 0.142945
H -5.776648 0.227130 0.126317
H -0.293781 3.272715 -0.541476
H -0.383714 1.692466 -1.419568
H -1.790087 2.837993 -1.455863
H -1.435195 -3.313524 -1.502432
H -2.088902 -4.749442 -0.611934
H -3.221275 -3.686869 -1.539201


