%chk=000082415.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000082415

0 1
 Br  -4.014400       4.549300      0.3420000    
 O    6.075000       2.053100     -0.6555000    
 O  -7.5900003E-02  -3.337400      0.4377000    
 O   -2.577500      -3.540300     -0.4184000    
 N    3.918500      0.4351000      0.2572000    
 N   0.9899000      -1.442800     -0.3694000    
 C    3.177000     -0.2659000       1.303300    
 C    5.282400     -9.8700002E-02  0.1373000    
 C    3.964800       1.878600      0.5285000    
 C    3.048300      -1.749900      0.9552000    
 C    6.040500      0.6563000     -0.9508000    
 C    4.753100       2.586500     -0.5697000    
 C    2.327000      -1.991200     -0.3728000    
 C  -0.1379000      -2.161400      4.0899999E-02
 C   -1.420800      -1.476400     -3.7700001E-02
 C   -2.679400      0.6037000      4.8799999E-02
 C   -1.460600     -9.0599999E-02  0.1182000    
 C   -3.874700     -0.1180000     -0.1819000    
 C   -2.596400      -2.186100     -0.2644000    
 C   -3.816100      -1.512600     -0.3363000    
 C   -2.738100       1.998300      0.2032000    
 C   -5.093500      0.5763000     -0.2512000    
 C   -3.957700       2.671800      0.1313000    
 C   -5.133300       1.962200     -9.5500000E-02
 H    3.672100     -0.1652000       2.277900    
 H    2.176200      0.1698000       1.412200    
 H    5.294400      -1.150800     -0.1587000    
 H    5.817500     -1.3000000E-03   1.090900    
 H    4.440600       2.068200       1.499500    
 H    2.950400       2.292400      0.5601000    
 H    4.010700      -2.270400      0.9654000    
 H    2.463400      -2.222200       1.756400    
 H    7.075300      0.3019000     -0.9993000    
 H    5.590600      0.5023000      -1.939200    
 H    4.258300       2.497500      -1.544600    
 H    4.839100       3.653000     -0.3383000    
 H    2.264200      -3.069400     -0.5578000    
 H    2.866000      -1.546300      -1.214900    
 H   0.8881000     -0.5054000     -0.7440000    
 H  -0.5573000      0.4781000      0.3298000    
 H   -4.726800      -2.081900     -0.5141000    
 H   -1.821900       2.559600      0.3807000    
 H   -6.024700      4.1900001E-02 -0.4276000    
 H   -6.091500       2.472000     -0.1542000    
 H   -1.665900      -3.870500     -0.4491000    


%chk=000082415-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000082415

0 1
Br -2.615543 5.021445 -0.709776
O 3.935805 2.661577 -0.747088
O 0.011476 -3.672177 -0.106182
O -2.479416 -3.345722 0.025108
N 3.328635 0.126621 0.561345
N 1.498634 -1.893574 -0.138959
C 3.517307 -0.940171 1.593394
C 4.507568 0.278771 -0.343986
C 3.022826 1.439559 1.209144
C 3.680996 -2.371227 1.021508
C 4.230262 1.371373 -1.389536
C 2.775208 2.517198 0.142378
C 2.702695 -2.736397 -0.138786
C 0.229296 -2.389783 -0.140233
C -0.924952 -1.437093 -0.176993
C -1.886992 0.835423 -0.343205
C -0.769225 -0.048374 -0.311796
C -3.222599 0.275925 -0.228827
C -2.270036 -1.989805 -0.081580
C -3.380566 -1.131469 -0.100881
C -1.720824 2.254845 -0.487592
C -4.343906 1.175163 -0.260446
C -2.840586 3.077806 -0.512251
C -4.166217 2.551686 -0.398907
H 4.391603 -0.712065 2.249256
H 2.616732 -0.914009 2.236022
H 4.702175 -0.679338 -0.858713
H 5.419888 0.549776 0.239689
H 3.866051 1.761723 1.865426
H 2.121783 1.325121 1.841288
H 4.717440 -2.533369 0.670565
H 3.527389 -3.064358 1.869353
H 5.116688 1.549922 -2.019318
H 3.374690 1.068239 -2.032048
H 1.875441 2.255444 -0.458914
H 2.628516 3.506334 0.605376
H 2.378928 -3.787645 -0.071050
H 3.216594 -2.609877 -1.112624
H 1.729854 -0.882871 -0.096533
H 0.230414 0.392297 -0.412967
H -4.377235 -1.576607 -0.023713
H -0.713616 2.674609 -0.580794
H -5.356582 0.765609 -0.176026
H -5.025208 3.228088 -0.423350
H -1.542391 -3.795424 -0.015679


