%chk=000038391.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000038391

0 1
 Br   6.198200       3.403900     -0.9187000    
 Br   4.837400      -4.071400       1.205000    
 O   -4.338400      -1.965600      -1.896900    
 O   -2.630500      -2.230800     -0.4206000    
 N    4.138300     -0.1039000      6.8599999E-02
 N   -1.374800      0.7922000     -0.3152000    
 N   -1.964300      0.2417000      0.6434000    
 C    5.058000       1.012200      0.1656000    
 C    4.665200      -1.454000      5.8100000E-02
 C    2.749400      0.1216000     -2.8200001E-02
 C    1.944000     -0.7765000     -0.7286000    
 C    2.181100       1.242700      0.5768000    
 C    4.947800       1.913800      -1.048900    
 C    4.112600      -2.261700       1.216500    
 C   0.5703000     -0.5532000     -0.8244000    
 C   0.8075000       1.465700      0.4811000    
 C   8.9999996E-03  0.5666000     -0.2190000    
 C   -3.343400      0.4671000      0.5474000    
 C   -4.167400     -0.4176000     -0.1486000    
 C   -3.890700       1.594600       1.159800    
 C   -5.538400     -0.1746000     -0.2321000    
 C   -5.261800       1.837300       1.076500    
 C   -6.085600      0.9528000      0.3806000    
 C   -3.623300      -1.602900     -0.7981000    
 H    4.896300       1.571100       1.095400    
 H    6.092500      0.6527000      0.2406000    
 H    5.760200      -1.439800      0.1350000    
 H    4.466300      -1.943100     -0.9033000    
 H    2.347100      -1.650600      -1.230100    
 H    2.768000       1.956400       1.146200    
 H    5.199500       1.380900      -1.971000    
 H    3.964600       2.374100      -1.169600    
 H    4.390600      -1.825500       2.180900    
 H    3.028000      -2.387400       1.190800    
 H  -4.8300002E-02  -1.254100      -1.378200    
 H   0.3719000       2.339800      0.9579000    
 H   -3.258100       2.289900       1.705500    
 H   -6.209200     -0.8510000     -0.7553000    
 H   -5.688100       2.714600       1.554300    
 H   -7.153500       1.140600      0.3185000    
 H   -3.965900      -2.764500      -2.327700    


%chk=000038391-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000038391

0 1
Br 6.319233 2.065915 -2.825880
Br 5.858601 -2.778877 3.027887
O -3.976144 1.694340 -2.594134
O -2.775591 -0.283288 -2.421235
N 4.126012 -0.159420 0.109042
N -1.522445 0.525427 0.069058
N -2.265770 -0.312775 0.749362
C 5.005075 0.858830 -0.498799
C 4.782582 -1.337745 0.709339
C 2.726542 -0.009217 0.117182
C 1.881919 -0.977050 0.759371
C 2.097018 1.109680 -0.516875
C 5.135036 0.630550 -2.017918
C 4.981515 -1.135277 2.224642
C 0.491321 -0.833787 0.764750
C 0.702042 1.247459 -0.503703
C -0.124996 0.286161 0.134748
C -3.666279 -0.109122 0.585573
C -4.288533 0.402998 -0.599726
C -4.467659 -0.441437 1.708816
C -5.684870 0.645466 -0.588230
C -5.856362 -0.207653 1.697733
C -6.466701 0.352986 0.550299
C -3.563414 0.538818 -1.899736
H 4.626773 1.875762 -0.295556
H 6.004000 0.795346 -0.033100
H 5.765253 -1.485393 0.228391
H 4.198539 -2.254571 0.518803
H 2.315632 -1.848774 1.257839
H 2.690374 1.871500 -1.029873
H 5.625038 -0.324982 -2.258618
H 4.171926 0.711167 -2.542566
H 5.660708 -0.299430 2.450978
H 4.030778 -1.014285 2.763947
H -0.147304 -1.577305 1.251544
H 0.219617 2.099304 -0.993868
H -3.965433 -0.854217 2.589433
H -6.154313 1.049601 -1.490163
H -6.458944 -0.454600 2.578299
H -7.544907 0.543165 0.534118
H -3.523772 1.698831 -3.481174


