%chk=000193733.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000193733

0 1
Br 6.914146 -2.896484 -1.750511
O 4.107078 1.981840 -0.076220
O 5.159347 -0.451241 0.324261
O -7.111231 -1.874198 0.371031
O 4.009158 -1.133346 -1.509795
C -0.321460 1.709448 0.636841
C 0.913083 0.802139 0.332364
C -1.551203 1.237845 -0.151344
C -1.894918 -0.205440 0.315786
C -3.135119 -0.774943 -0.449341
C 2.039208 1.575307 1.102240
C 0.593029 -0.600570 0.879896
C -0.676256 -1.149437 0.205294
C 0.211133 3.134961 0.421394
C 1.677404 3.072642 0.908897
C -2.754102 2.161935 0.092093
C 1.269848 0.726155 -1.156655
C -4.297454 0.217393 -0.371879
C -3.988586 1.660716 -0.660961
C -3.535765 -2.115864 0.226990
C -2.836545 -1.005402 -1.941153
C 3.425605 1.243195 0.590041
C -4.915592 -2.615569 -0.192064
C -5.563612 -0.163199 -0.134184
C -5.979749 -1.565205 0.059572
C 3.920171 -0.146560 1.003305
C 5.065987 -0.902277 -0.979073
C 6.460266 -1.023391 -1.516564
H -0.566153 1.612311 1.726565
H -1.315815 1.226657 -1.242945
H -2.178891 -0.144726 1.397242
H 1.984449 1.324957 2.186314
H 0.455032 -0.570262 1.975965
H 1.441050 -1.292015 0.695164
H -0.457344 -1.356186 -0.861882
H -0.923805 -2.129599 0.656139
H -0.371744 3.882029 0.981296
H 0.159746 3.428922 -0.640647
H 2.356733 3.544311 0.172247
H 1.810443 3.626590 1.851229
H -2.513293 3.192747 -0.230987
H -2.976444 2.230189 1.174938
H 1.628118 1.688215 -1.542102
H 2.058231 -0.015669 -1.356725
H 0.406114 0.438700 -1.767548
H -3.839138 1.773050 -1.757604
H -4.856290 2.309903 -0.420018
H -3.517753 -1.991827 1.329059
H -2.779047 -2.890487 -0.003295
H -2.446296 -0.099889 -2.419817
H -2.091025 -1.795854 -2.084532
H -3.737952 -1.306699 -2.487407
H -5.174317 -3.549505 0.347030
H -4.933294 -2.886917 -1.267516
H -6.384829 0.553336 -0.074071
H 3.164723 -0.934455 0.789740
H 4.218800 -0.180162 2.067750
H 7.209323 -0.561840 -0.836395
H 6.538197 -0.514374 -2.501046


%chk=000193733-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000193733

0 1
Br 7.196554 -3.145735 -0.504754
O 4.112174 1.889405 -0.356389
O 5.370820 -0.365226 0.657576
O -7.101919 -2.040662 0.844698
O 4.137407 -1.258601 -1.110878
C -0.299794 1.701250 0.487836
C 0.943033 0.854993 0.058248
C -1.606266 1.273046 -0.213306
C -1.876746 -0.234175 0.102407
C -3.221271 -0.786167 -0.531452
C 2.048390 1.590325 0.935090
C 0.670882 -0.621953 0.428281
C -0.644701 -1.123954 -0.227996
C 0.182987 3.166509 0.368012
C 1.684670 3.107658 0.809852
C -2.800607 2.138067 0.246171
C 1.285155 0.986381 -1.450266
C -4.370635 0.174926 -0.174768
C -4.124488 1.656094 -0.393415
C -3.507975 -2.200388 0.065719
C -3.129836 -0.878120 -2.088921
C 3.473114 1.261041 0.523970
C -4.955450 -2.690714 -0.145854
C -5.588322 -0.262009 0.284058
C -5.972138 -1.683708 0.388110
C 4.103600 0.066787 1.268460
C 5.239423 -0.996737 -0.579293
C 6.599430 -1.320365 -1.154098
H -0.448343 1.496472 1.574804
H -1.486543 1.407393 -1.309213
H -2.025333 -0.285111 1.207164
H 1.895755 1.245040 1.980077
H 0.584717 -0.715860 1.532393
H 1.503428 -1.273445 0.098019
H -0.498225 -1.176600 -1.323160
H -0.829249 -2.159206 0.112822
H -0.403287 3.856020 1.000211
H 0.092874 3.522711 -0.675533
H 2.347662 3.586921 0.069178
H 1.845099 3.621132 1.774582
H -2.630587 3.198613 -0.019412
H -2.884124 2.088775 1.351617
H 1.617297 2.005096 -1.712855
H 2.103406 0.294338 -1.717130
H 0.418547 0.739849 -2.086976
H -4.070744 1.850806 -1.486104
H -4.980313 2.241693 -0.010996
H -3.304936 -2.168528 1.155744
H -2.808340 -2.935965 -0.371840
H -2.845176 0.086013 -2.545311
H -2.382769 -1.631471 -2.394797
H -4.102112 -1.174444 -2.520958
H -5.129172 -3.664737 0.344772
H -5.163681 -2.839432 -1.225491
H -6.369661 0.459926 0.556401
H 3.387987 -0.774789 1.307155
H 4.375396 0.367051 2.295164
H 7.367580 -0.614496 -0.813996
H 6.546757 -1.399833 -2.247030


