%chk=000064942.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000064942

0 1
 Br   8.126800      -2.535100      -1.681300    
 O    1.012600       1.197600       1.385800    
 O   0.5672000      -1.462300      0.7565000    
 O  -0.7569000       3.132600      0.4927000    
 O    7.154600     -0.9544000       1.209400    
 N   -6.732000      0.1009000      0.1845000    
 N   -6.018800      -2.198800      0.2852000    
 N   -5.429100       1.706200     -0.9773000    
 N    6.026300     -3.3500001E-02 -0.6400000    
 N   -8.003600      -1.506000       1.327600    
 C   -2.291900      0.1154000     -0.8853000    
 C   -3.478200     -0.2731000      -1.701200    
 C   -2.071200       1.456200     -0.5699000    
 C   -1.403300     -0.8619000     -0.4372000    
 C  -7.3299997E-02  0.8422000      0.6419000    
 C   -4.714300     -0.5819000     -0.8806000    
 C  -0.2941000     -0.4985000      0.3265000    
 C  -0.9618000       1.819500      0.1937000    
 C   -5.630600      0.3717000     -0.5463000    
 C   -4.939200      -1.857300     -0.4485000    
 C    2.263900      0.8916000      0.8807000    
 C    2.535000       1.148200     -0.4517000    
 C    3.212700      0.3351000       1.720000    
 C    4.765200      0.2766000     -0.1302000    
 C    3.796000      0.8381000     -0.9613000    
 C    4.473700      2.5100000E-02   1.210500    
 C   -6.861800      -1.185500      0.5613000    
 C   0.2689000      -2.808200      0.3904000    
 C   2.4900001E-02   3.892400     -0.4270000    
 C    7.115900     -0.6043000      3.2699998E-02
 C    8.316500     -0.7885000     -0.8614000    
 H   -3.680500      0.4826000      -2.469600    
 H   -3.228700      -1.160600      -2.301600    
 H   -2.747300       2.228900     -0.9241000    
 H   -1.624300      -1.887500     -0.7130000    
 H   -4.261700      -2.674900     -0.6698000    
 H    1.804200       1.591300      -1.120100    
 H    2.985500      0.1386000       2.763600    
 H    4.009900       1.040900      -2.007800    
 H    5.170400     -0.4050000       1.916000    
 H   -6.127400       2.375500     -0.6745000    
 H   -5.013000       1.871200      -1.884000    
 H   0.3042000      -2.948500     -0.6953000    
 H  -0.6782000      -3.145000      0.8255000    
 H    1.055900      -3.439000      0.8169000    
 H  -0.2730000       4.941200     -0.3420000    
 H  -0.1323000       3.568900      -1.461400    
 H    1.083100       3.812700     -0.1645000    
 H    6.158800      0.1817000      -1.625900    
 H   -8.665400     -0.7789000       1.561100    
 H   -8.144700      -2.458400       1.634700    
 H    9.239200     -0.7819000     -0.2773000    
 H    8.366500     -4.1099999E-02  -1.655800    


%chk=000064942-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000064942

0 1
Br 8.418750 -1.793986 -2.251378
O 0.989221 1.522365 0.797090
O 0.036406 -1.008402 0.908085
O -0.475609 3.516989 -0.886314
O 7.461805 0.185457 1.362219
N -6.428806 -0.755965 0.876533
N -6.379480 -2.550205 -0.793937
N -5.091385 1.145197 0.690633
N 6.152660 -0.400137 -0.512200
N -7.791335 -2.648853 1.076164
C -2.635970 0.558984 -1.219822
C -3.959127 0.218348 -1.915197
C -2.094948 1.853682 -1.319519
C -1.941994 -0.436328 -0.484553
C -0.158257 1.191728 0.028120
C -4.946819 -0.568737 -1.073073
C -0.717797 -0.119714 0.137947
C -0.854443 2.185531 -0.706226
C -5.485671 -0.067028 0.164064
C -5.446200 -1.821993 -1.476556
C 2.250789 0.990007 0.433394
C 2.504227 0.352715 -0.801652
C 3.288650 1.177781 1.370982
C 4.858941 0.085981 -0.151282
C 3.807653 -0.097363 -1.085888
C 4.592993 0.731371 1.086644
C -6.835722 -1.959080 0.362749
C -0.507054 -2.355472 1.113958
C 0.892722 3.981169 -0.586947
C 7.318146 -0.334893 0.210551
C 8.586911 -0.939303 -0.403123
H -4.422986 1.162221 -2.268034
H -3.740937 -0.373531 -2.827196
H -2.599867 2.639588 -1.890984
H -2.382761 -1.432635 -0.388918
H -5.086078 -2.275855 -2.409667
H 1.697524 0.204023 -1.525758
H 3.060781 1.667692 2.322171
H 4.006176 -0.596148 -2.043064
H 5.401383 0.870992 1.806450
H -5.505365 1.431130 1.576087
H -4.280955 1.641798 0.325020
H -0.603109 -2.899659 0.154967
H -1.490330 -2.314719 1.619809
H 0.226411 -2.860698 1.758467
H 0.913539 5.014249 -0.966463
H 1.646841 3.371208 -1.116830
H 1.093592 3.961492 0.495627
H 6.225823 -0.858280 -1.428067
H -8.160955 -2.246634 1.932388
H -8.119933 -3.540825 0.717923
H 8.964352 -1.738725 0.251841
H 9.348896 -0.153730 -0.515934


