%chk=000271252.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000271252

0 1
Br -2.486163 -2.259028 -0.150479
O 0.830976 -2.687079 -0.173234
O -4.364821 0.205732 -1.094858
O -4.366206 0.082345 1.069017
N -3.826137 0.236755 -0.007287
C 0.382948 0.844521 0.029993
C 1.856084 0.719039 0.023568
C -0.177222 -0.475340 -0.046378
C 2.193997 -0.667818 -0.056166
C 0.937800 -1.495301 -0.104524
C -0.426715 1.964846 0.094118
C -1.538654 -0.634498 -0.056299
C 2.845010 1.682692 0.079644
C 3.509992 -1.080491 -0.079232
C -2.359113 0.516827 0.009620
C -1.830094 1.796821 0.083666
C 4.192412 1.256491 0.055817
C 4.519447 -0.092817 -0.021765
H -0.001979 2.966624 0.152067
H 2.606536 2.742282 0.140579
H 3.767719 -2.139345 -0.140113
H -2.483308 2.671863 0.133763
H 4.983723 2.006755 0.099485
H 5.565171 -0.401776 -0.039002


%chk=000271252-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000271252

0 1
Br -2.293687 -2.510019 -0.137579
O 0.907818 -2.765950 -0.068749
O -4.523126 1.310172 -0.610483
O -4.451024 -0.535500 0.732616
N -3.886524 0.390223 0.040491
C 0.376861 0.805724 0.005562
C 1.855950 0.704357 0.009202
C -0.181773 -0.513949 -0.020527
C 2.213736 -0.672746 -0.017896
C 0.966680 -1.510714 -0.041967
C -0.451905 1.939946 0.009831
C -1.573656 -0.715071 -0.018293
C 2.851241 1.697023 0.033042
C 3.554062 -1.086583 -0.020332
C -2.403323 0.447893 0.004705
C -1.848551 1.748906 -0.000510
C 4.210530 1.285734 0.029860
C 4.560739 -0.087103 0.003609
H -0.038095 2.952223 0.019064
H 2.599285 2.762645 0.054815
H 3.804891 -2.151883 -0.041206
H -2.538269 2.597594 -0.013112
H 5.002411 2.042301 0.048415
H 5.617132 -0.375124 0.001441


