%chk=000122778.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000122778

0 1
 Br  -2.437800      -3.962400     -0.1251000    
 O   -4.081400       1.363600      0.2152000    
 O    1.305400      -2.014300      0.4096000    
 N   -2.178500       2.564900      0.2783000    
 N   -2.785800      -1.088400      5.1399998E-02
 N    2.801400       1.010200     -0.2294000    
 N    3.448600      -1.055000      0.3359000    
 N    5.105100      0.6704000      3.3500001E-02
 C   0.3535000      0.6854000     -0.3372000    
 C   2.6200000E-02   2.100900     -0.7317000    
 C  -0.7644000     -0.2077000     -0.2020000    
 C  -0.7525000       2.806700      0.3638000    
 C   -2.103600      0.1182000      1.1500000E-02
 C    1.634500      0.3213000     -0.1476000    
 C  -0.6782000      -1.633200     -0.2757000    
 C   -2.847200       1.359900      0.1724000    
 C   -1.940100      -2.143600     -0.1144000    
 C    2.055000      -1.068200      0.2315000    
 C    3.839600      0.1712000      6.0199998E-02
 H   0.9375000       2.679300     -0.9194000    
 H  -0.5243000       2.110400      -1.682000    
 H  -0.4173000       2.523000       1.367900    
 H  -0.6238000       3.890300      0.2643000    
 H   -2.770700       3.381600      0.3960000    
 H  -1.1000000E-02  -2.229100     -0.8923000    
 H   -3.783000      -1.170700      0.1903000    
 H    2.864600       1.990100     -0.4629000    
 H    5.907100      8.5500002E-02  0.2409000    
 H    5.284700       1.641800     -0.1960000    


%chk=000122778-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000122778

0 1
Br -3.031926 -3.857393 -0.137347
O -4.191934 1.416658 -0.120590
O 1.878279 -2.340312 0.322074
N -2.230430 2.602175 0.220924
N -2.990865 -0.970018 -0.109663
N 2.813956 1.029962 -0.259897
N 3.812911 -0.981121 0.211721
N 5.222923 0.921841 -0.094482
C 0.383558 0.535624 -0.253124
C 0.087278 2.006517 -0.565844
C -0.803835 -0.319046 -0.142739
C -0.794456 2.721863 0.497966
C -2.162878 0.151484 -0.105261
C 1.708184 0.132993 -0.134504
C -0.872256 -1.766252 -0.147938
C -2.913194 1.424064 -0.012934
C -2.220947 -2.115263 -0.134661
C 2.411711 -1.207829 0.159981
C 3.994307 0.321820 -0.044183
H 1.013196 2.595725 -0.670287
H -0.430296 2.079533 -1.542239
H -0.546741 2.331993 1.506177
H -0.558829 3.800775 0.493737
H -2.828377 3.427095 0.304939
H -0.013819 -2.433363 -0.135955
H -4.009924 -0.865598 -0.098705
H 2.750702 2.020884 -0.475545
H 6.032470 0.328732 0.073252
H 5.354830 1.908556 -0.297874


