%chk=000174025.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000174025

0 1
 Br   5.087400     -0.9329000       2.021300    
 Br   3.865400      -3.644900      -1.491600    
 O    3.215000     -0.7243000     -2.0900000E-02
 O   -2.059100      0.1404000     -0.2568000    
 O    1.709800     -0.6082000       1.726100    
 O  -0.4420000     -0.7844000      -1.600100    
 N   7.4900001E-02  0.7963000      1.8500000E-02
 C    3.605600       2.355300     -3.9099999E-02
 C    2.090200       2.215600      0.2079000    
 C    1.496200      0.8650000     -0.2000000    
 C    4.152100       3.701500      0.4381000    
 C    3.904200       2.177500      -1.530300    
 C    2.114100     -0.2437000      0.6297000    
 C  -0.7764000     -2.2200000E-02 -0.6991000    
 C    3.976700      -1.753300      0.6327000    
 C   -3.052500     -0.6522000     -0.9168000    
 C   -4.394800     -0.3554000     -0.3156000    
 C    4.894200      -2.408900     -0.3815000    
 C   -4.851700      -1.099400      0.7723000    
 C   -5.185900      0.6647000     -0.8443000    
 C   -6.099400     -0.8235000       1.331400    
 C   -6.433600      0.9406000     -0.2850000    
 C   -6.890300      0.1964000      0.8028000    
 H    4.145700       1.587000      0.5194000    
 H    1.558400       3.015200     -0.3252000    
 H    1.896200       2.388000       1.275700    
 H    1.660700      0.6542000      -1.261500    
 H    5.233300       3.765400      0.2762000    
 H    3.965200       3.835500       1.508800    
 H    3.678200       4.532900     -9.4700001E-02
 H    3.314900       2.870700      -2.140400    
 H    3.702800       1.160000      -1.875300    
 H    4.962900       2.372600      -1.735200    
 H  -0.3260000       1.346500      0.7725000    
 H    3.323500      -2.475300       1.135200    
 H   -2.813300      -1.716800     -0.8015000    
 H   -3.058500     -0.4205000      -1.989200    
 H    5.673100      -3.022100      8.0499999E-02
 H    5.345800      -1.689800      -1.071200    
 H   -4.243700      -1.895200       1.194500    
 H   -4.840100       1.252700      -1.690300    
 H   -6.454800      -1.402300       2.178900    
 H   -7.049400       1.735200     -0.6962000    
 H   -7.861700      0.4115000       1.238400    


%chk=000174025-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000174025

0 1
Br 5.833084 -0.097612 2.021176
Br 5.253798 -3.182191 -1.576801
O 3.774597 -0.764448 0.114956
O -1.976870 -1.510894 -0.022021
O 2.401342 -1.637344 1.800671
O -0.871109 -0.173785 -1.631833
N 0.160844 -0.844767 0.360830
C 2.598532 2.217137 0.092312
C 1.398724 1.330514 0.515386
C 1.430433 -0.170624 0.064589
C 2.382922 3.645383 0.650279
C 2.783698 2.253213 -1.443822
C 2.529603 -0.943668 0.774726
C -0.887488 -0.781908 -0.525965
C 4.927337 -1.401979 0.697980
C -3.217830 -1.479966 -0.871022
C -4.118498 -0.319587 -0.506677
C 5.947249 -1.696368 -0.382025
C -5.136517 -0.479218 0.467491
C -3.957455 0.941072 -1.138869
C -5.978812 0.601969 0.810133
C -4.798995 2.022608 -0.797141
C -5.811607 1.855773 0.177096
H 3.526042 1.812165 0.543763
H 0.474137 1.747137 0.069585
H 1.275246 1.360332 1.616240
H 1.600230 -0.206529 -1.025361
H 3.240927 4.297029 0.403343
H 2.267815 3.637551 1.750421
H 1.473635 4.104473 0.216385
H 1.846927 2.561527 -1.946475
H 3.082491 1.269757 -1.848762
H 3.572086 2.976993 -1.721204
H 0.059336 -1.361853 1.237026
H 4.642809 -2.255002 1.332694
H -3.688031 -2.450735 -0.648915
H -2.901158 -1.435066 -1.927141
H 6.885312 -2.073732 0.045880
H 6.118347 -0.829620 -1.035463
H -5.267162 -1.451538 0.958617
H -3.163335 1.064754 -1.883834
H -6.763794 0.467810 1.562803
H -4.668963 2.992109 -1.291010
H -6.466578 2.694529 0.439060


