%chk=000170800.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000170800

0 1
 Br  -5.188100       2.414200       1.430700    
 Br   5.187800       2.414700      -1.429200    
 Br  -4.465600      -2.749500      -1.042100    
 Br   4.466200      -2.750500       1.040400    
 Br  -9.662600     -0.7232000     -5.8200002E-02
 Br   9.662800     -0.7223000      5.8800001E-02
 O   -3.116600       1.016900      -1.777400    
 O    3.116000       1.015100       1.777700    
 N   -3.629900     -3.0500000E-02  0.2585000    
 N    3.629900     -3.0900000E-02 -0.2587000    
 C   -1.354100      0.5423000     -0.3355000    
 C    1.353900      0.5409000      0.3351000    
 C  -0.3868000      0.5426000      -1.340400    
 C   0.9672000      0.5418000      -1.005100    
 C  -0.9674000      0.5414000       1.004800    
 C   0.3866000      0.5407000       1.340000    
 C   -2.765400      0.5427000     -0.6849000    
 C    2.765400      0.5414000      0.6848000    
 C   -5.035200     -0.1918000      0.1837000    
 C    5.035300     -0.1919000     -0.1837000    
 C   -5.863100      0.8115000      0.6656000    
 C    5.863000      0.8119000     -0.6649000    
 C   -5.560300      -1.350400     -0.3695000    
 C    5.560700      -1.350700      0.3688000    
 C   -7.247000      0.6527000      0.5926000    
 C    7.246900      0.6534000     -0.5916000    
 C   -6.944300      -1.509100     -0.4425000    
 C    6.944600      -1.509100      0.4420000    
 C   -7.787600     -0.5075000      3.8500000E-02
 C    7.787800     -0.5070000     -3.8199998E-02
 H  -0.6661000      0.5447000      -2.390900    
 H    1.687700      0.5710000      -1.817700    
 H   -1.687800      0.5701000       1.817400    
 H   0.6660000      0.5414000       2.390500    
 H   -3.207900     -0.6090000      0.9814000    
 H    3.208200     -0.6088000     -0.9824000    
 H   -7.907300       1.432100      0.9672000    
 H    7.907100       1.433200     -0.9656000    
 H   -7.368900      -2.413100     -0.8739000    
 H    7.369400      -2.413200      0.8730000    


%chk=000170800-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000170800

0 1
Br -5.168925 2.766495 0.143838
Br 5.170188 2.767389 -0.142683
Br -4.746220 -3.058108 0.579589
Br 4.745462 -3.056856 -0.581422
Br -9.878046 -0.530665 -0.285828
Br 9.877852 -0.531748 0.287403
O -3.287646 0.833420 -1.736470
O 3.287206 0.832451 1.736729
N -3.711351 -0.093418 0.372918
N 3.711577 -0.091903 -0.373600
C -1.395259 0.418526 -0.267323
C 1.395242 0.419035 0.266650
C -0.462077 0.441005 -1.334397
C 0.920570 0.437651 -1.072171
C -0.920601 0.435858 1.071518
C 0.462043 0.439693 1.333748
C -2.857215 0.420028 -0.624200
C 2.857194 0.421063 0.623555
C -5.121657 -0.170528 0.233119
C 5.121803 -0.169589 -0.233280
C -5.940135 0.982165 0.059890
C 5.940642 0.982717 -0.059161
C -5.793029 -1.424527 0.297919
C 5.792747 -1.423800 -0.298477
C -7.336792 0.886695 -0.111822
C 7.337194 0.886637 0.113069
C -7.187712 -1.553213 0.163411
C 7.187327 -1.553073 -0.163470
C -7.942340 -0.383846 -0.060201
C 7.942293 -0.384100 0.061058
H -0.846479 0.477029 -2.358655
H 1.622662 0.495407 -1.911985
H -1.622738 0.492190 1.911394
H 0.846420 0.474743 2.358050
H -3.287285 -0.673812 1.101579
H 3.287633 -0.671785 -1.102737
H -7.935312 1.788477 -0.256908
H 7.935992 1.788125 0.258830
H -7.664653 -2.533810 0.215305
H 7.663928 -2.533817 -0.215682


