%chk=000230827.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000230827

0 1
Br -2.573583 2.780563 -0.166539
O 2.293246 1.338181 0.723339
O 5.200467 0.104415 -0.046653
O 3.497172 -1.372115 -0.294180
C -1.632769 0.070569 0.109098
C -3.033826 -0.344683 -0.115828
C -1.254473 1.423349 0.115141
C -0.643018 -0.904261 0.319170
C 1.021708 0.809842 0.542031
C 0.060782 1.817558 0.333059
C 0.689469 -0.547940 0.534205
C -3.756956 -0.955256 0.919802
C -3.637814 -0.137307 -1.366103
C -5.078528 -1.355444 0.703132
C -4.958159 -0.542085 -1.575113
C 3.319252 0.507919 1.288930
C -5.679738 -1.151204 -0.542626
C 3.952626 -0.381774 0.223305
C 6.024673 -0.599976 -1.035357
C 6.608119 -1.853052 -0.420301
H -0.922066 -1.960212 0.303713
H 0.363839 2.865164 0.343307
H 1.450205 -1.322811 0.648463
H -3.291654 -1.107591 1.891780
H -3.077189 0.342497 -2.167577
H 4.038352 1.273376 1.661030
H 2.937590 -0.100925 2.129104
H -5.640737 -1.825315 1.508216
H -5.427100 -0.380468 -2.544319
H -6.708739 -1.463439 -0.708687
H 5.400824 -0.807874 -1.922792
H 6.781211 0.175674 -1.256384
H 7.345742 -2.318776 -1.085756
H 7.107792 -1.642988 0.534052
H 5.826879 -2.602811 -0.222763


%chk=000230827-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000230827

0 1
Br -2.470519 3.026127 -0.315906
O 2.364364 1.310388 0.708194
O 5.183756 0.050863 -0.089846
O 3.601603 -1.658997 0.065284
C -1.708442 0.177903 0.077841
C -3.118845 -0.261400 -0.146091
C -1.238001 1.518844 -0.003764
C -0.728337 -0.804646 0.394892
C 1.044314 0.848178 0.516192
C 0.108485 1.863185 0.208095
C 0.631020 -0.500443 0.609490
C -3.751021 -1.104927 0.807309
C -3.835973 0.089920 -1.321176
C -5.065968 -1.575676 0.599438
C -5.149793 -0.381840 -1.530273
C 3.330074 0.427141 1.381158
C -5.771911 -1.214802 -0.571089
C 4.021206 -0.524222 0.396854
C 5.960406 -0.744904 -1.099111
C 6.915780 -1.714318 -0.399275
H -1.048465 -1.851453 0.433651
H 0.446494 2.901158 0.163178
H 1.349468 -1.306167 0.784673
H -3.215079 -1.371156 1.725917
H -3.358843 0.721508 -2.077212
H 4.073566 1.110533 1.816776
H 2.833273 -0.165644 2.170662
H -5.539820 -2.216005 1.351929
H -5.685448 -0.103639 -2.444871
H -6.793000 -1.577249 -0.734402
H 5.242366 -1.278749 -1.745758
H 6.494204 0.027546 -1.674134
H 7.538116 -2.229047 -1.154360
H 7.587761 -1.177049 0.291783
H 6.356807 -2.480161 0.163851


