%chk=000054940.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054940

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=000054940-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054940

0 1
Br -4.412127 2.909875 0.264585
O 0.041283 -1.750381 -0.646489
O -1.465880 1.862616 0.414524
O -2.454846 -2.942914 0.315398
N 4.036973 -0.042532 -0.020300
N 0.383157 -0.173584 1.028088
C 2.626548 0.447762 0.032661
C 2.734886 1.962607 0.386454
C 4.200493 2.145852 0.864143
C 4.958406 1.119491 -0.001426
C 1.838111 -0.391891 1.077867
C 4.302189 -1.079512 -1.039105
C 5.640574 -1.805833 -0.811772
C -0.420250 -0.870565 0.152164
C -1.902700 -0.546236 0.202174
C -2.381055 0.797075 0.247139
C -2.858277 -1.605058 0.173373
C -3.770748 1.061393 0.203113
C -4.243430 -1.322398 0.137538
C -4.705206 0.008979 0.144663
C -0.954549 2.448110 -0.847240
C -2.291443 -3.717798 -0.936923
H 2.114982 0.313557 -0.947814
H 2.557968 2.577352 -0.516004
H 1.994655 2.271288 1.147273
H 4.301179 1.878213 1.931644
H 4.571416 3.176254 0.728234
H 5.938796 0.843229 0.425854
H 5.137290 1.533939 -1.027596
H 2.203354 -0.152579 2.092416
H 2.026515 -1.461440 0.885043
H 3.476324 -1.814191 -0.997108
H 4.287651 -0.642348 -2.072144
H -0.031999 0.619461 1.524669
H 5.770361 -2.614834 -1.553813
H 5.667563 -2.247528 0.200080
H 6.500077 -1.118241 -0.911033
H -4.950545 -2.157381 0.142905
H -5.776651 0.227124 0.126271
H -0.293799 3.272734 -0.541458
H -0.383698 1.692492 -1.419564
H -1.790089 2.837999 -1.455863
H -1.435189 -3.313532 -1.502441
H -2.088903 -4.749449 -0.611950
H -3.221268 -3.686877 -1.539226


