%chk=000187505.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000187505

0 1
Br 4.771347 1.121218 -2.587533
Br -4.769328 -1.113487 -2.586621
O 4.712398 -0.989014 0.661478
O -4.712471 0.985039 0.671227
C 0.600031 0.403390 0.082123
C -0.600120 -0.404539 0.082021
C 1.885759 -0.214408 0.078825
C -1.885833 0.213276 0.081387
C 0.492707 1.820422 0.087870
C -0.492876 -1.821589 0.084884
C 3.037844 0.599884 0.053502
C -3.037901 -0.600967 0.055753
C 1.948716 -1.667647 0.094173
C -1.948876 1.666484 0.099639
C -0.827603 2.424467 0.102367
C 0.827450 -2.425639 0.096694
C 1.658625 2.604473 0.081983
C -1.658818 -2.605609 0.078748
C 2.910696 1.998187 0.057633
C -2.910922 -1.999264 0.056923
C 4.401954 -0.002248 0.031944
C -4.402012 0.001356 0.036950
C 5.456270 0.678932 -0.825109
C -5.455974 -0.675660 -0.823780
H 2.939692 -2.135990 0.122492
H -2.939820 2.134697 0.130000
H -0.884421 3.514097 0.118667
H 0.884314 -3.515300 0.110775
H 1.581214 3.691496 0.090517
H -1.581406 -3.692648 0.085111
H 3.802857 2.627021 0.042664
H -3.803180 -2.627926 0.041574
H 5.826732 1.604864 -0.348133
H 6.333172 0.011191 -0.955313
H -5.828244 -1.602604 -0.350175
H -6.331874 -0.006454 -0.953061


%chk=000187505-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000187505

0 1
Br 5.965221 1.585570 -2.047050
Br -5.967023 -1.581452 -2.046171
O 4.728154 -1.297392 0.057850
O -4.728163 1.296778 0.064111
C 0.612086 0.382486 -0.098664
C -0.612023 -0.382590 -0.099075
C 1.904566 -0.274753 -0.096057
C -1.904504 0.274638 -0.094120
C 0.535518 1.821411 -0.103364
C -0.535446 -1.821504 -0.106993
C 3.106804 0.531108 -0.098345
C -3.106742 -0.531238 -0.097346
C 1.928340 -1.723178 -0.102382
C -1.928264 1.723080 -0.097207
C -0.755112 2.456976 -0.104347
C 0.755185 -2.457062 -0.110301
C 1.733785 2.584431 -0.112901
C -1.733714 -2.584511 -0.117324
C 2.980903 1.951458 -0.113705
C -2.980834 -1.951549 -0.115866
C 4.481808 -0.056590 -0.071171
C -4.481769 0.056306 -0.067961
C 5.710553 0.860453 -0.162803
C -5.710498 -0.860663 -0.160504
H 2.897784 -2.222413 -0.095339
H -2.897695 2.222305 -0.088367
H -0.796500 3.552213 -0.111326
H 0.796574 -3.552280 -0.119715
H 1.671827 3.678013 -0.124419
H -1.671757 -3.678065 -0.131242
H 3.875980 2.576889 -0.141951
H -3.875932 -2.576922 -0.144821
H 5.678981 1.742915 0.493398
H 6.605550 0.253620 0.027718
H -5.678177 -1.744622 0.493645
H -6.605366 -0.254366 0.032313


