%chk=000231537.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000231537

0 1
Br -6.571662 0.218524 -0.166698
Br 6.543229 -0.576509 -0.687117
O 0.042076 0.370645 -1.777200
O 0.180028 -0.186865 1.809025
C -0.360847 0.613341 -0.411167
C 0.415724 -0.495023 0.416530
C -1.879916 0.489365 -0.332188
C 1.916551 -0.502441 0.140394
C 0.102804 2.009444 -0.006352
C -0.130916 -1.905305 0.248425
C -2.655767 0.916200 -1.421876
C 2.400257 -0.768081 -1.149658
C -2.519795 -0.016057 0.808050
C 2.825585 -0.293955 1.187214
C -0.623660 2.787610 0.905206
C -0.129327 -2.770547 1.353056
C 1.288807 2.519134 -0.556971
C -0.597768 -2.359717 -0.991958
C -4.049893 0.836713 -1.380717
C 3.774357 -0.792004 -1.401564
C -3.914095 -0.101465 0.861830
C 4.203044 -0.315045 0.948011
C -0.168920 4.061223 1.259941
C -0.597929 -4.079435 1.216228
C 1.740366 3.792075 -0.202205
C -1.062163 -3.671019 -1.124272
C -4.663452 0.327515 -0.234450
C 4.659843 -0.558231 -0.347758
C 1.011886 4.565928 0.707266
C -1.063780 -4.532089 -0.022381
H -0.287263 1.085181 -2.368441
H 0.521194 0.709343 2.036328
H -2.171663 1.310659 -2.316132
H 1.695981 -0.954329 -1.967729
H -1.926204 -0.359497 1.665891
H 2.462104 -0.129620 2.203715
H -1.550996 2.409881 1.339796
H 0.234793 -2.412312 2.318243
H 1.862888 1.910331 -1.260915
H -0.604895 -1.687931 -1.855083
H -4.642753 1.168218 -2.233872
H 4.141484 -0.996412 -2.407860
H -4.400646 -0.504272 1.751538
H 4.902237 -0.148303 1.767928
H -0.740118 4.661916 1.966831
H -0.597742 -4.747405 2.075620
H 2.662927 4.179936 -0.632889
H -1.425612 -4.020740 -2.088917
H 1.363734 5.558958 0.983765
H -1.427114 -5.552529 -0.128364


%chk=000231537-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000231537

0 1
Br -6.692391 0.205633 -0.175635
Br 6.649457 -0.737248 -0.828259
O 0.046784 0.483312 -1.851127
O 0.238222 -0.132208 1.834018
C -0.367567 0.646451 -0.439395
C 0.424892 -0.481939 0.410745
C -1.903895 0.484160 -0.350617
C 1.942116 -0.522516 0.084903
C 0.083360 2.052729 0.038266
C -0.149004 -1.902213 0.244439
C -2.694348 0.796517 -1.483567
C 2.419392 -0.955520 -1.180452
C -2.566614 0.079738 0.836975
C 2.892938 -0.193607 1.080981
C -0.707917 2.845527 0.911332
C -0.117907 -2.786980 1.350860
C 1.331240 2.573977 -0.407936
C -0.634872 -2.373041 -1.000758
C -4.104375 0.719160 -1.444564
C 3.801632 -1.016537 -1.457425
C -3.974594 -0.009739 0.893315
C 4.282232 -0.253804 0.824137
C -0.269920 4.125563 1.320213
C -0.570862 -4.117536 1.216876
C 1.764540 3.854485 -0.000566
C -1.086381 -3.704363 -1.132086
C -4.730813 0.318148 -0.248790
C 4.720963 -0.656251 -0.450515
C 0.966056 4.636561 0.864650
C -1.055805 -4.584128 -0.026352
H 0.115772 1.378966 -2.267649
H 0.483300 0.824323 1.950079
H -2.212250 1.077495 -2.424333
H 1.712280 -1.246319 -1.959053
H -1.977392 -0.185044 1.718926
H 2.558004 0.086393 2.083691
H -1.678874 2.473929 1.251874
H 0.251774 -2.422880 2.313268
H 1.972097 1.970183 -1.058421
H -0.675757 -1.699239 -1.861784
H -4.697147 0.961455 -2.331353
H 4.152883 -1.349780 -2.438266
H -4.467472 -0.335164 1.813857
H 5.000747 0.003426 1.607559
H -0.899880 4.724110 1.987281
H -0.543963 -4.789194 2.082555
H 2.728953 4.235564 -0.353791
H -1.467173 -4.051838 -2.099191
H 1.301908 5.631043 1.178034
H -1.407364 -5.616758 -0.130855


