%chk=000060395.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060395

0 1
 Br  -5.463400       1.185300       2.492000    
 Br  -2.890300       4.791600      -1.034800    
 O   0.6115000      -2.011400     -0.6338000    
 O   -1.153200     -0.2463000      -2.110000    
 O    2.254200      -3.049000      0.6100000    
 N   -2.220800      -1.731800     -0.6493000    
 N   -3.771900     -0.9039000      0.9515000    
 N    3.887200     -0.8814000      0.3633000    
 C   -1.534500      -2.889700      -1.220700    
 C   -3.128400      -1.883400      0.3971000    
 C   -2.661300      0.6605000     -0.5708000    
 C   -1.935800     -0.4689000      -1.190300    
 C   -3.548900      0.3943000      0.4748000    
 C  -0.2258000      -3.151400     -0.4924000    
 C   -2.461100       1.969200      -1.024600    
 C   -3.382100      -3.275900      0.9241000    
 C   -4.237700       1.460400       1.064600    
 C   -3.154300       3.021000     -0.4276000    
 C   -4.041600       2.767600      0.6161000    
 C    2.594700     -0.8114000     -0.2720000    
 C    1.838500      -2.091200     -2.7899999E-02
 C    4.819900      0.1443000      0.3285000    
 C    4.545400       1.345500     -0.3505000    
 C    6.063800      1.0100000E-02  0.9717000    
 C    5.483200       2.377700     -0.3849000    
 C    7.001500       1.042200      0.9372000    
 C    6.711000       2.226000      0.2589000    
 H   -1.322900      -2.680700      -2.276200    
 H   -2.169500      -3.778400      -1.192700    
 H   0.2685000      -4.022900     -0.9367000    
 H  -0.3930000      -3.342000      0.5724000    
 H   -1.769200       2.170700      -1.838600    
 H   -2.454000      -3.770900       1.212400    
 H   -3.895700      -3.871200      0.1638000    
 H   -4.027500      -3.229000       1.807200    
 H   -4.581000       3.590700       1.079900    
 H    2.005300      1.0900000E-02  0.1483000    
 H    2.706600     -0.6885000      -1.354800    
 H    4.140100      -1.725200      0.8661000    
 H    3.601700       1.505500     -0.8652000    
 H    6.306500     -0.9061000       1.505400    
 H    5.257600       3.299700     -0.9130000    
 H    7.957700      0.9244000       1.438500    
 H    7.441100       3.029600      0.2321000    


%chk=000060395-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000060395

0 1
Br -6.267224 1.302082 1.046940
Br -2.197371 4.830874 -1.051421
O 0.617918 -2.206828 0.968847
O -0.312711 -0.415965 -1.276613
O 2.136401 -2.957940 -0.637251
N -2.018997 -1.792337 -0.423413
N -4.116156 -0.889763 0.342484
N 3.823141 -0.832458 -0.108879
C -1.130268 -2.965220 -0.634275
C -3.316607 -1.922783 0.113565
C -2.373589 0.629595 -0.538348
C -1.476023 -0.514451 -0.784229
C -3.667147 0.395899 0.032522
C -0.288473 -3.323131 0.604430
C -1.925325 1.933836 -0.865588
C -3.843111 -3.304893 0.424133
C -4.497461 1.535207 0.270284
C -2.776832 3.015027 -0.615151
C -4.064745 2.832296 -0.046217
C 2.519129 -0.817393 0.526089
C 1.779125 -2.099620 0.200431
C 4.739458 0.215240 -0.004532
C 4.474127 1.369937 0.790580
C 5.984102 0.137610 -0.700503
C 5.430799 2.403875 0.883128
C 6.925652 1.178517 -0.599146
C 6.661896 2.322749 0.194334
H -0.456342 -2.718940 -1.470814
H -1.738766 -3.838033 -0.920891
H 0.308208 -4.227538 0.387611
H -0.902135 -3.473115 1.506107
H -0.930826 2.055526 -1.302948
H -3.182297 -3.870267 1.104705
H -3.976504 -3.907198 -0.494365
H -4.824685 -3.182909 0.902639
H -4.713357 3.690969 0.143164
H 2.587104 -0.715891 1.629210
H 1.873526 0.016799 0.167832
H 4.000772 -1.602910 -0.756096
H 3.526461 1.465115 1.330927
H 6.202233 -0.743913 -1.316750
H 5.206811 3.282703 1.499445
H 7.873999 1.096830 -1.143272
H 7.398194 3.129408 0.270397


