%chk=000170741.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000170741

0 1
 Br  -2.085900      -1.305400      -1.999700    
 O    1.696300     -0.2309000      -1.012200    
 O    4.070000       1.510400     -0.1721000    
 O  -0.5483000     -0.5393000       1.800300    
 O    2.297200      -2.911400     -0.4575000    
 O  -0.8445000       2.950700     -0.4618000    
 O   -4.254100     -6.8000001E-03  0.3255000    
 N  -0.2534000      0.7236000     -0.1389000    
 N   -2.490800       1.440800      4.5499999E-02
 C    1.142400      0.9361000     -0.3880000    
 C    1.936200       1.190100      0.8831000    
 C    3.278400      0.5761000      0.5585000    
 C    2.911900     -0.6017000     -0.3337000    
 C  -0.6512000     -0.5849000      0.3779000    
 C   -2.067800     -0.9738000     -4.9699999E-02
 C    2.639200      -1.877900      0.4518000    
 C   -1.157400       1.787100     -0.1988000    
 C   -3.049200      0.1698000      0.1464000    
 C   -2.568800      -2.252600      0.6235000    
 H    1.273700       1.772100      -1.085100    
 H    1.512700      0.6832000       1.753600    
 H    1.981800       2.259200       1.114800    
 H    3.848500      0.2840000       1.445500    
 H    3.665100     -0.7883000      -1.107300    
 H   2.1199999E-02  -1.366100      2.5100000E-02
 H    1.828600      -1.766800       1.174800    
 H    3.539800      -2.186300      0.9929000    
 H   -1.872300      -3.084300      0.4667000    
 H   -2.684700      -2.110100       1.703800    
 H   -3.546200      -2.565700      0.2371000    
 H   -3.146100       2.216100      9.7199999E-02
 H    4.234300       2.270900      0.4112000    
 H   -1.070500      0.2225000       2.103000    
 H    2.140300      -3.714500      6.7599997E-02


%chk=000170741-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000170741

0 1
Br -2.198517 -0.894390 -2.224040
O 1.743723 -0.245504 -1.032416
O 4.260466 1.340003 -0.497340
O -0.484816 -0.978067 1.706479
O 1.955361 -2.846776 0.062450
O -0.782621 2.949082 -0.088295
O -4.289583 -0.039365 0.593839
N -0.264048 0.664496 -0.083284
N -2.474017 1.398941 0.370921
C 1.152831 0.964189 -0.477854
C 2.056130 1.405812 0.708997
C 3.387074 0.654080 0.463323
C 2.925860 -0.646869 -0.223136
C -0.663721 -0.697132 0.256137
C -2.128837 -0.988531 -0.157313
C 2.584047 -1.741512 0.799172
C -1.126559 1.740530 0.039566
C -3.080377 0.135101 0.297288
C -2.613781 -2.376264 0.254566
H 1.099579 1.731969 -1.266796
H 1.606057 1.081015 1.663172
H 2.175695 2.501048 0.736701
H 3.930738 0.458700 1.411300
H 3.672760 -1.007720 -0.947625
H 0.026822 -1.401058 -0.235080
H 1.894459 -1.357050 1.578178
H 3.532339 -2.070837 1.277048
H -1.999052 -3.153708 -0.227406
H -2.527741 -2.490313 1.349997
H -3.668310 -2.507584 -0.031628
H -3.085380 2.200475 0.558504
H 4.445035 2.258253 -0.175049
H -1.046753 -0.353481 2.238115
H 1.711536 -3.561632 0.702509


