%chk=000096618.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096618

0 1
 Br   5.610400      0.8720000      0.1461000    
 O   0.7477000       1.827300     -0.1905000    
 O    2.311600      -2.499900     -0.2507000    
 N  -0.6780000      7.8699999E-02  0.2517000    
 N    1.598900     -0.3277000     -0.2390000    
 N    1.320600      -1.783300     -7.3700003E-02
 C   -1.838100      0.9162000      0.4607000    
 C   -2.567100       1.186900     -0.8597000    
 C   -2.781500      0.3014000       1.500100    
 C   -3.299700     -4.6900000E-02  -1.387000    
 C   -3.513700     -0.9311000      0.9690000    
 C   -4.240400     -0.6339000     -0.3391000    
 C   0.5692000      0.6111000     -6.8599999E-02
 C    2.955500      8.6499996E-02 -0.5741000    
 C    3.804700      0.3428000      0.6547000    
 H   -1.484400       1.876400      0.8563000    
 H   -1.865000       1.544700      -1.622200    
 H   -3.299300       1.989500     -0.7031000    
 H   -3.525200       1.052700       1.795300    
 H   -2.225600      3.1199999E-02   2.406100    
 H   -2.571000     -0.8077000      -1.692100    
 H   -3.870600      0.2215000      -2.283100    
 H   -4.236700      -1.275200       1.717500    
 H   -2.805600      -1.754100      0.8171000    
 H   -5.058400      7.1800001E-02 -0.1487000    
 H   -4.695700      -1.552800     -0.7252000    
 H  -0.8155000     -0.9250000      0.2562000    
 H    3.418700     -0.6512000      -1.240100    
 H    2.891100       1.011000      -1.162100    
 H    3.907900     -0.5520000       1.275200    
 H    3.401100       1.152900       1.269000    


%chk=000096618-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000096618

0 1
Br 5.665275 0.900937 -0.009007
O 0.803079 1.830118 -0.253794
O 2.207376 -2.556325 -0.081565
N -0.671761 0.095677 0.322370
N 1.594100 -0.386956 -0.213449
N 1.250251 -1.717697 0.036975
C -1.864445 0.955684 0.523242
C -2.581136 1.253215 -0.822853
C -2.827396 0.273492 1.525708
C -3.253278 -0.006619 -1.417119
C -3.513058 -0.983214 0.931985
C -4.225649 -0.657370 -0.403175
C 0.532555 0.613231 -0.053502
C 2.952736 0.032634 -0.628682
C 3.809971 0.373444 0.602119
H -1.495274 1.908921 0.944816
H -1.854728 1.690478 -1.532420
H -3.351643 2.027318 -0.631223
H -3.607659 1.012561 1.793469
H -2.285211 0.023997 2.457904
H -2.474041 -0.741745 -1.705228
H -3.791964 0.260499 -2.345985
H -4.235623 -1.389382 1.664919
H -2.767455 -1.789151 0.762286
H -5.065309 0.040745 -0.204725
H -4.668549 -1.576473 -0.832212
H -0.736149 -0.920449 0.436911
H 3.400851 -0.804744 -1.189582
H 2.845580 0.916350 -1.275339
H 3.955077 -0.490535 1.266785
H 3.419375 1.245160 1.146371


