%chk=000086425.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000086425

0 1
 Br   2.179200      -3.344800     -0.9407000    
 O  -0.3998000       1.711500     -0.8287000    
 O    2.894200      -1.560200       1.839600    
 O   -3.959600     -0.2141000      -1.461000    
 N   -2.660500      4.2700000E-02  0.4690000    
 N   -5.825700       1.552600      0.6708000    
 C  -0.2116000     -0.2068000      0.6451000    
 C   0.7643000      -1.405100      0.7343000    
 C   -1.545200     -0.6350000      6.4000003E-02
 C   0.3308000      0.9409000     -0.2098000    
 C    2.166200     -0.9273000       1.078700    
 C   0.6935000      -2.304600     -0.4895000    
 C    1.792700       1.172200     -0.2204000    
 C    2.666700      0.2962000      0.4221000    
 C   -1.625400      -1.654600     -0.8064000    
 C  -0.4427000      -2.383200      -1.204500    
 C    2.301100       2.308100     -0.8651000    
 C    4.042400      0.5600000      0.4333000    
 C   -2.634600      0.6155000       1.817600    
 C    3.672600       2.565200     -0.8576000    
 C    4.541800       1.693700     -0.2071000    
 C   -3.813500      0.2170000     -0.3205000    
 C   -4.927100      0.9601000      0.2369000    
 H  -0.2795000      0.1980000       1.659700    
 H   0.4442000      -2.016300       1.592900    
 H   -2.552900      -2.031800      -1.219500    
 H  -0.5336000      -3.035700      -2.067000    
 H    1.645800       3.010800      -1.373100    
 H    4.741800     -0.1108000      0.9251000    
 H   -2.178400     -8.9900002E-02   2.521200    
 H   -3.631600      0.8169000       2.214200    
 H   -2.084500       1.561800       1.797300    
 H    4.061600       3.447800      -1.356900    
 H    5.609100       1.894700     -0.2010000    


%chk=000086425-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000086425

0 1
Br 2.338960 -3.108527 -1.281277
O -0.350318 1.750736 -0.922821
O 2.702796 -1.667355 2.025132
O -4.368168 -1.352516 -0.530110
N -2.761091 0.044258 0.528716
N -6.128753 0.826835 1.393626
C -0.233603 -0.208657 0.546157
C 0.719709 -1.441588 0.620482
C -1.607079 -0.606651 -0.006063
C 0.388651 0.949642 -0.282929
C 2.104666 -1.009751 1.130921
C 0.738992 -2.123058 -0.743759
C 1.868845 1.129570 -0.212937
C 2.691728 0.214539 0.510063
C -1.630999 -1.531167 -1.030576
C -0.398228 -2.161487 -1.498056
C 2.455090 2.267716 -0.822952
C 4.081295 0.458656 0.629720
C -2.571619 1.233638 1.401911
C 3.841578 2.493149 -0.715502
C 4.655411 1.590294 0.016842
C -4.061998 -0.392964 0.239382
C -5.144435 0.341902 0.917591
H -0.319157 0.178918 1.581072
H 0.323110 -2.169894 1.358566
H -2.568153 -1.808487 -1.511999
H -0.428345 -2.721693 -2.437403
H 1.803644 2.959536 -1.366379
H 4.688721 -0.256656 1.193274
H -2.178246 0.946526 2.393263
H -3.539356 1.732836 1.555598
H -1.895972 1.946359 0.905039
H 4.292037 3.369617 -1.193012
H 5.732089 1.771226 0.101418


