%chk=000186163.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186163

0 1
Br -4.068615 2.502897 -2.849010
Br 7.249724 -0.669195 0.375829
O -1.138899 -0.801270 1.260995
O 0.851010 0.616567 -2.019879
O -5.209602 -0.375703 1.547213
O -3.378295 -1.209281 2.337883
N 1.174783 0.061306 0.191230
N -4.010552 -0.535136 1.507202
C -1.095201 0.526462 -0.684526
C -1.827211 -0.083240 0.366909
C -3.237454 0.083203 0.444852
C 0.383816 0.395137 -0.915656
C -1.786332 1.281692 -1.634802
C 2.598163 -0.103684 0.174845
C -3.909390 0.863141 -0.525498
C -3.182050 1.453448 -1.545573
C 3.377141 0.099344 -0.977569
C 3.210086 -0.479234 1.391497
C 4.761002 -0.070362 -0.913536
C 4.592936 -0.646118 1.446908
C 5.357063 -0.439980 0.294396
H -1.220069 1.738498 -2.466060
H 0.719346 -0.137152 1.092787
H -5.000903 0.982817 -0.447287
H 2.907477 0.388151 -1.926057
H 2.615763 -0.641297 2.288686
H 5.365525 0.087491 -1.809792
H 5.067829 -0.936023 2.386403
H -1.748691 -1.249479 2.000813


%chk=000186163-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000186163

0 1
Br -4.266138 2.072404 -3.119058
Br 7.312036 -0.740475 0.521429
O -1.048767 -0.527314 1.452575
O 0.882458 1.070007 -2.015974
O -5.195679 -0.285439 1.703036
O -3.214577 -0.931860 2.619652
N 1.172624 -0.007015 0.054246
N -3.922200 -0.370883 1.643711
C -1.092876 0.578626 -0.714314
C -1.766589 0.055870 0.431532
C -3.198864 0.151684 0.490293
C 0.408883 0.566878 -0.948171
C -1.860547 1.167133 -1.743196
C 2.584969 -0.146084 0.098182
C -3.955171 0.745609 -0.550029
C -3.268746 1.247692 -1.660126
C 3.453737 0.301038 -0.934537
C 3.133798 -0.769376 1.252925
C 4.847455 0.122474 -0.803559
C 4.524411 -0.947075 1.383087
C 5.371949 -0.497296 0.348347
H -1.306760 1.556046 -2.604184
H 0.642778 -0.372479 0.860995
H -5.042627 0.793361 -0.456169
H 3.035122 0.779452 -1.821156
H 2.472509 -1.117273 2.055659
H 5.514133 0.466846 -1.599322
H 4.937543 -1.426694 2.274636
H -1.736465 -0.832857 2.172694


