%chk=000080770.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080770

0 1
 Br -0.6414000       4.369400     -0.2028000    
 O   0.5304000      -2.069400      0.3583000    
 O   -2.553100       2.251600     -0.2233000    
 O    4.148900      -2.258800     -0.5291000    
 N    2.727000     -0.6569000      0.4607000    
 C   0.4698000      0.2933000      0.1878000    
 C  -0.3298000       1.428000      3.4899998E-02
 C    1.858500      0.4282000      0.3042000    
 C   -1.605100      -1.180000      0.1046000    
 C   -2.404800     -4.5299999E-02 -4.7899999E-02
 C  -0.1386000      -1.052100      0.2280000    
 C   -1.796300       1.300100     -8.8299997E-02
 C   0.2594000       2.697500     -2.2000000E-03
 C    2.441400       1.695200      0.2667000    
 C    1.643600       2.827300      0.1138000    
 C   -2.194300      -2.449500      0.1417000    
 C   -3.793400     -0.1801000     -0.1634000    
 C    3.125400      -1.051500       1.845700    
 C   -3.578700      -2.579400      2.6200000E-02
 C   -4.376400      -1.447200     -0.1262000    
 C    3.322600      -1.350500     -0.6467000    
 C    2.884800     -0.9700000      -2.042500    
 H    3.518600       1.816100      0.3546000    
 H    2.128800       3.800300      8.8200003E-02
 H   -1.596300      -3.349300      0.2596000    
 H   -4.441500      0.6839000     -0.2831000    
 H    3.903600     -0.3621000       2.185300    
 H    3.519700      -2.070800       1.850700    
 H    2.255400     -0.9932000       2.506200    
 H   -4.035200      -3.564600      5.4900002E-02
 H   -5.453900      -1.551100     -0.2160000    
 H    3.103200      8.3700001E-02  -2.232900    
 H    1.816000      -1.158800      -2.167500    
 H    3.430400      -1.571000      -2.776100    


%chk=000080770-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000080770

0 1
Br -0.701206 4.381862 -0.593476
O 0.425091 -2.172180 -0.138926
O -2.647300 2.368288 0.282258
O 4.578970 -2.016793 -0.035811
N 2.699454 -0.719789 0.372344
C 0.392507 0.247829 0.060033
C -0.425535 1.438110 -0.049851
C 1.822637 0.358955 0.050467
C -1.739231 -1.190983 0.126637
C -2.534049 -0.018247 0.206521
C -0.254887 -1.108024 0.027838
C -1.918068 1.339280 0.144635
C 0.217479 2.678517 -0.313686
C 2.413445 1.623352 -0.203170
C 1.625721 2.760460 -0.416499
C -2.357534 -2.466460 0.163427
C -3.942005 -0.127571 0.331245
C 2.519236 -1.457979 1.645599
C -3.756660 -2.569561 0.284057
C -4.551111 -1.396597 0.370638
C 3.760909 -1.147886 -0.456907
C 3.858551 -0.585027 -1.871421
H 3.503942 1.711098 -0.192178
H 2.098098 3.725920 -0.616942
H -1.720120 -3.353435 0.098373
H -4.529548 0.793623 0.390359
H 1.882704 -0.866355 2.322320
H 3.512484 -1.614537 2.097025
H 2.054788 -2.440454 1.459548
H -4.232699 -3.555371 0.313115
H -5.639026 -1.479144 0.464914
H 4.609145 0.224968 -1.916787
H 2.902673 -0.203395 -2.262423
H 4.219849 -1.399473 -2.519175


