%chk=000001516.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001516

0 1
 Br   5.298100     -0.3565000      0.4268000    
 O   -2.693600       2.141300      0.7920000    
 O   -2.851100      -2.048200      0.4071000    
 O   -4.003800      0.5804000     -0.2009000    
 O   -1.208500      -1.857000      -1.141100    
 N  -0.6388000      0.6950000     -0.4295000    
 C   -1.685400      3.4699999E-02  0.3175000    
 C   0.7112000      0.4565000     -0.2340000    
 C    1.682300       1.132300     -0.9967000    
 C    1.149400     -0.4691000      0.7320000    
 C   -2.917600      0.9114000      0.2549000    
 C   -1.849300      -1.372800     -0.2177000    
 C    3.042200      0.8915000     -0.8006000    
 C    2.509300     -0.7099000      0.9282000    
 C    3.455600     -2.9600000E-02  0.1619000    
 H   -1.438100     -4.1700002E-02   1.383800    
 H  -0.8998000       1.309900      -1.193100    
 H    1.377400       1.853900      -1.751500    
 H   0.4590000      -1.029900       1.354600    
 H    3.766800       1.429800      -1.406100    
 H    2.815500      -1.431400       1.681400    
 H   -3.495300       2.705700      0.7581000    
 H   -2.969700      -2.949100      3.7400000E-02


%chk=000001516-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000001516

0 1
Br 5.294044 1.085787 1.005344
O -2.124616 0.663584 2.062373
O -3.767695 -1.520952 -0.057399
O -2.666348 1.762857 0.080714
O -2.641291 -1.325913 -2.085542
N -0.477012 -0.189358 -0.868017
C -1.595235 -0.492458 -0.004858
C 0.812962 0.113419 -0.413748
C 1.848245 0.334708 -1.367840
C 1.131075 0.197731 0.972377
C -2.200688 0.772533 0.672458
C -2.693582 -1.150543 -0.853180
C 3.162661 0.621342 -0.954338
C 2.451585 0.477901 1.386794
C 3.457261 0.687518 0.424526
H -1.320020 -1.195826 0.805148
H -0.670049 -0.209252 -1.871866
H 1.622515 0.278178 -2.439260
H 0.360487 0.060007 1.736949
H 3.946304 0.787710 -1.699180
H 2.684113 0.537525 2.454176
H -2.510572 1.475654 2.491046
H -4.488345 -1.924950 -0.612177


