%chk=000034420.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000034420

0 1
 Br  -6.771000      0.8393000      0.5858000    
 O  -8.3499998E-02 -0.1324000      0.5069000    
 O  -0.3940000     -0.1328000      -1.803100    
 O    1.371800      -3.905800      0.2619000    
 O  -0.3367000      -2.554000      0.5318000    
 N    1.577800       2.021600      0.2645000    
 N   0.8865000      -2.752700      0.3428000    
 C    2.089900      0.7793000      0.1787000    
 C    3.466200      0.5544000     -3.3300001E-02
 C    1.256200     -0.3290000      0.3000000    
 C    1.753300      -1.632000      0.2164000    
 C    3.966400     -0.7561000     -0.1176000    
 C    3.110000      -1.846200      7.1999999E-03
 C    4.305800       1.669700     -0.1554000    
 C   -2.269500      0.1689000     -0.3618000    
 C    3.781200       2.951100     -6.7500003E-02
 C  -0.8312000     -4.3499999E-02 -0.6656000    
 C    2.422300       3.071300      0.1413000    
 C   -3.215400     -0.3269000      -1.235000    
 C   -2.614200      0.8570000      0.7834000    
 C   -4.566200     -0.1259000     -0.9505000    
 C   -3.964900       1.058000       1.068100    
 C   -4.940900      0.5664000      0.2011000    
 H    5.027000     -0.9342000     -0.2812000    
 H    3.539000      -2.841900     -6.4300001E-02
 H    5.373800       1.545900     -0.3198000    
 H    4.415800       3.824600     -0.1597000    
 H    1.955600       4.047800      0.2184000    
 H   -2.935800     -0.8705000      -2.132500    
 H   -1.872900       1.261200       1.466200    
 H   -5.314100     -0.5159000      -1.636000    
 H   -4.240200       1.602300       1.967800    


%chk=000034420-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000034420

0 1
Br -6.860045 1.076296 0.727200
O -0.096310 -0.367265 0.388610
O -0.427454 -0.044022 -1.911433
O 1.748202 -3.924400 1.298749
O -0.026536 -3.082740 0.137968
N 1.417021 1.883814 -0.153536
N 1.157179 -2.984208 0.633945
C 2.080436 0.677745 0.000480
C 3.520056 0.554790 -0.055550
C 1.285140 -0.501449 0.230416
C 1.926250 -1.735431 0.415896
C 4.132342 -0.723628 0.152947
C 3.351006 -1.846747 0.398287
C 4.269855 1.749041 -0.311214
C -2.301590 0.207948 -0.362335
C 3.595420 2.958411 -0.483543
C -0.898247 -0.053432 -0.761430
C 2.164950 2.976787 -0.388840
C -3.234828 0.508886 -1.388257
C -2.728431 0.164500 0.989291
C -4.582814 0.767312 -1.073174
C -4.075668 0.420692 1.316404
C -4.986137 0.719646 0.279539
H 5.223706 -0.809379 0.117293
H 3.791368 -2.831021 0.575962
H 5.362842 1.697482 -0.366724
H 4.135526 3.888881 -0.682080
H 1.617822 3.918740 -0.509934
H -2.890515 0.536573 -2.427018
H -2.007329 -0.070954 1.775574
H -5.304267 0.999415 -1.860966
H -4.410847 0.386717 2.356473


