%chk=000180873.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180873

0 1
Br 1.083400 1.780520 0.079527
O 1.596698 -1.061794 -0.664883
O 4.330983 -2.637770 -1.455674
O 5.229861 -0.216103 1.101854
O 3.869496 2.788791 -0.328891
O 4.531822 0.985798 -1.470547
C -3.474063 -0.428135 1.892649
C -4.200151 0.823096 1.325361
C -4.462048 0.748917 -0.183580
C -2.141534 -0.652913 1.176885
C -4.410106 -1.645283 1.776183
C -3.161544 -0.188278 3.386107
C -5.168674 2.013571 -0.689983
C -5.429518 1.942721 -2.201307
C -1.279795 0.442403 0.974203
C -1.725522 -1.918625 0.744902
C -0.049938 0.273815 0.346896
C -0.491449 -2.107087 0.115032
C 0.351673 -1.007205 -0.086564
C -6.134133 3.197387 -2.712518
C 1.952991 -2.280173 -1.398295
C 3.263754 -1.907831 -2.090730
C 5.241706 -1.850497 -0.666437
C 4.612122 -1.458226 0.672784
C 4.412402 0.943389 1.022632
C 4.308127 1.479034 -0.393144
H -5.158612 0.955396 1.863457
H -3.610126 1.731746 1.554496
H -3.506362 0.608568 -0.726781
H -5.073995 -0.143271 -0.418535
H -3.991851 -2.532241 2.262835
H -4.617510 -1.895758 0.729791
H -5.375277 -1.444144 2.255129
H -2.631051 -1.042477 3.821170
H -2.529672 0.693092 3.535636
H -4.076563 -0.039830 3.968132
H -6.124775 2.155715 -0.151054
H -4.557730 2.907178 -0.458328
H -4.472064 1.805897 -2.741666
H -6.039906 1.049209 -2.436934
H -1.585691 1.438579 1.307672
H -2.362861 -2.791447 0.897736
H -0.198608 -3.103710 -0.201435
H -5.536887 4.098066 -2.529991
H -7.104269 3.343403 -2.224386
H -6.315207 3.137800 -3.791532
H 1.145953 -2.515558 -2.110390
H 2.092642 -3.100683 -0.671888
H 3.290120 -2.269969 -3.135228
H 3.438883 -0.809964 -2.073093
H 6.091726 -2.547618 -0.550348
H 5.571498 -0.953762 -1.229832
H 3.512733 -1.370397 0.603982
H 4.877133 -2.153083 1.489641
H 3.398761 0.758070 1.437493
H 4.949771 1.668104 1.674893
H 3.766740 3.204367 -1.226305


%chk=000180873-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000180873

0 1
Br 1.260554 1.489627 0.681177
O 1.556672 -1.292991 -0.609669
O 4.234657 -2.903629 -0.906968
O 5.745423 0.022987 0.889907
O 4.359166 3.188086 -0.410717
O 4.901404 1.255087 -1.586954
C -3.654706 -0.553375 1.886595
C -4.335077 0.737905 1.312217
C -4.657112 0.719657 -0.198597
C -2.295520 -0.799995 1.191743
C -4.616884 -1.759410 1.728629
C -3.408095 -0.335017 3.411405
C -5.233327 2.064169 -0.698761
C -5.584334 2.052773 -2.204150
C -1.297950 0.214934 1.223630
C -1.967187 -2.000754 0.520352
C -0.047327 0.027494 0.617992
C -0.707203 -2.195661 -0.088126
C 0.282851 -1.183424 -0.047122
C -6.155532 3.398165 -2.701646
C 1.847887 -2.503082 -1.407137
C 3.284181 -2.413231 -1.915189
C 5.252154 -1.924891 -0.484056
C 4.698962 -0.991397 0.604445
C 5.270387 1.384711 0.882691
C 4.848739 1.877036 -0.507035
H -5.270873 0.908814 1.884628
H -3.684574 1.611341 1.524204
H -3.737009 0.483053 -0.769891
H -5.384420 -0.086560 -0.422469
H -4.212901 -2.664872 2.218289
H -4.819400 -2.001682 0.670317
H -5.584270 -1.523778 2.209054
H -2.925562 -1.220607 3.863740
H -2.755485 0.537231 3.597950
H -4.367380 -0.157084 3.933242
H -6.142516 2.318891 -0.113860
H -4.500052 2.874244 -0.501033
H -4.675849 1.796953 -2.786771
H -6.317135 1.243312 -2.400497
H -1.497476 1.167725 1.723592
H -2.696908 -2.812968 0.461568
H -0.500375 -3.143714 -0.592583
H -5.429394 4.218524 -2.546818
H -7.080556 3.662699 -2.154992
H -6.398951 3.361832 -3.779528
H 1.137194 -2.548780 -2.258592
H 1.737359 -3.411209 -0.782580
H 3.380355 -3.073574 -2.800532
H 3.513791 -1.373376 -2.220524
H 6.090547 -2.526744 -0.095739
H 5.606069 -1.314735 -1.336881
H 3.762493 -0.518559 0.257445
H 4.491538 -1.546504 1.538395
H 4.415086 1.547159 1.572114
H 6.109895 2.011728 1.232086
H 4.077483 3.506264 -1.311193


