%chk=000059568.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059568

0 1
 Br   4.818000      -1.763200      -1.348300    
 O   -3.146600      -1.880000      0.3650000    
 O    2.046700       1.820700      0.4497000    
 O   -1.001700      -2.154700     -0.4244000    
 N   0.4864000      7.2499998E-02  0.2556000    
 N    2.716300     -0.3826000      0.6530000    
 C  -0.7201000      0.7393000      2.3499999E-02
 C   -1.910100      3.2499999E-02 -0.1488000    
 C  -0.7220000       2.132900     -3.4600001E-02
 C    4.117100     -0.1113000      0.8798000    
 C   -3.102100      0.7192000     -0.3793000    
 C    1.766900      0.6243000      0.4506000    
 C   -1.914000       2.819800     -0.2649000    
 C   -3.104000       2.112900     -0.4374000    
 C   -1.943100      -1.423900     -9.5700003E-02
 C    4.914500     -5.8600001E-02 -0.4079000    
 C   -3.302100      -3.299800      0.4640000    
 H   0.4406000     -0.9415000      0.2933000    
 H   0.1513000       2.756700      8.6900003E-02
 H    4.213700      0.8409000       1.412200    
 H    4.491900     -0.9030000       1.537800    
 H   -4.044300      0.1997000     -0.5331000    
 H    2.413800      -1.351400      0.6271000    
 H   -1.917100       3.905000     -0.3114000    
 H   -4.031400       2.648000     -0.6203000    
 H    5.973300      0.1322000     -0.2151000    
 H    4.528100      0.6944000      -1.100700    
 H   -2.568100      -3.711600       1.162900    
 H   -3.197100      -3.760200     -0.5227000    
 H   -4.305800      -3.506700      0.8445000    


%chk=000059568-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000059568

0 1
Br 5.026189 -2.335775 -0.814956
O -3.210791 -1.945785 0.021972
O 2.075301 1.907307 0.400525
O -0.920204 -2.100009 0.336933
N 0.474317 0.149597 0.332509
N 2.733103 -0.320796 0.640435
C -0.724956 0.851084 0.126478
C -1.954801 0.098906 0.028105
C -0.776664 2.270568 0.009246
C 4.150420 0.017596 0.750564
C -3.182344 0.788564 -0.182318
C 1.772000 0.674790 0.450020
C -2.006443 2.918048 -0.198365
C -3.218252 2.186350 -0.295982
C -1.950424 -1.372853 0.143796
C 4.966211 -0.319988 -0.501525
C -3.260506 -3.423097 0.128980
H 0.332232 -0.878638 0.399722
H 0.156528 2.831169 0.085598
H 4.200489 1.113497 0.902345
H 4.594119 -0.476269 1.634602
H -4.098744 0.196974 -0.253239
H 2.475225 -1.309473 0.617988
H -2.020967 4.010502 -0.285013
H -4.168922 2.703861 -0.457502
H 6.021424 -0.023769 -0.399177
H 4.521043 0.095997 -1.417005
H -2.874886 -3.748733 1.109339
H -2.656021 -3.884490 -0.669556
H -4.324676 -3.672637 0.016781


