%chk=000221412.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000221412

0 1
Br -3.343105 1.131954 2.407111
O -2.043406 0.872597 -0.697097
O -1.030953 2.716582 0.160018
C -0.222656 -0.763244 -0.588726
C 0.246895 -0.369882 0.824459
C -1.256716 -1.905543 -0.529711
C 1.371297 0.671899 0.841385
C -0.806800 0.435603 -1.351937
C -0.631279 -3.238062 -0.101426
C 2.685731 0.142158 0.255510
C 3.784446 1.212772 0.288803
C -1.683954 -4.353012 -0.027137
C 5.101003 0.688203 -0.301130
C -1.067624 -5.684002 0.397636
C 6.196941 1.751403 -0.270292
C -1.994893 1.994283 0.085002
C -3.330687 2.160464 0.756569
H 0.668179 -1.111729 -1.173810
H 0.575580 -1.282350 1.361851
H -0.616007 0.017403 1.403626
H -1.739402 -2.023402 -1.519151
H -2.076250 -1.622272 0.161415
H 1.536132 1.003694 1.886031
H 1.046875 1.587147 0.300612
H -0.097265 1.282767 -1.407111
H -1.166667 0.167364 -2.360266
H 0.170841 -3.525530 -0.807744
H -0.136182 -3.124390 0.883615
H 2.524994 -0.199533 -0.785098
H 3.013696 -0.752746 0.818420
H 3.948741 1.553023 1.329350
H 3.454020 2.110641 -0.268390
H -2.181326 -4.468224 -1.009990
H -2.483986 -4.067654 0.684059
H 4.938367 0.349999 -1.343012
H 5.433779 -0.207279 0.259245
H -0.295980 -6.015163 -0.306493
H -1.826110 -6.473217 0.447912
H -0.600410 -5.615255 1.386632
H 5.913686 2.639290 -0.847019
H 7.132350 1.369212 -0.693369
H 6.409688 2.081448 0.752937
H -4.162035 1.796448 0.118868
H -3.515348 3.225037 1.005543


%chk=000221412-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000221412

0 1
Br -3.526609 1.510842 2.431673
O -2.075806 0.860206 -0.630132
O -1.085580 2.895819 -0.020254
C -0.239074 -0.829377 -0.505852
C 0.294379 -0.432275 0.898504
C -1.270703 -1.990760 -0.446796
C 1.427115 0.626198 0.920877
C -0.814359 0.370463 -1.282503
C -0.688118 -3.345939 0.015191
C 2.706284 0.212583 0.155827
C 3.864270 1.220699 0.334899
C -1.713912 -4.498682 -0.082494
C 5.138965 0.838598 -0.451348
C -1.147645 -5.851705 0.399111
C 6.288443 1.852825 -0.265363
C -2.058985 2.106959 -0.024113
C -3.405130 2.398614 0.612315
H 0.620563 -1.177949 -1.120446
H 0.667281 -1.349377 1.395079
H -0.556265 -0.072599 1.512552
H -1.711185 -2.125425 -1.457881
H -2.108241 -1.698724 0.217455
H 1.696817 0.812596 1.980861
H 1.055964 1.595101 0.532335
H -0.108271 1.216030 -1.345235
H -1.137067 0.067340 -2.293545
H 0.201603 -3.597101 -0.601022
H -0.332491 -3.273641 1.062386
H 2.488915 0.110820 -0.927981
H 3.035464 -0.790685 0.501591
H 4.110888 1.306164 1.414052
H 3.524428 2.228105 0.015250
H -2.057681 -4.592025 -1.133186
H -2.611207 -4.237539 0.515028
H 4.889926 0.753981 -1.529238
H 5.477079 -0.168397 -0.131027
H -0.263473 -6.146918 -0.197287
H -1.898095 -6.658992 0.313175
H -0.832823 -5.794848 1.458346
H 5.986363 2.860438 -0.608593
H 7.188486 1.556864 -0.835396
H 6.574694 1.935101 0.800318
H -4.236628 1.981914 0.028344
H -3.514378 3.473602 0.802222


