%chk=000181368.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000181368

0 1
Br -4.630647 -2.037709 2.203970
O 0.378650 1.085580 -1.355831
O 1.108707 -3.741575 -0.577673
C 2.369377 0.368528 -0.331204
C 1.184814 1.353662 -0.171468
C 3.442565 0.674944 0.730194
C 1.635506 2.821477 -0.216225
C 3.902976 2.136292 0.664313
C 2.718171 3.096845 0.831462
C 1.864706 -1.079273 -0.217604
C 2.859969 -2.105096 -0.762584
C -0.980843 1.545258 -1.305173
C 2.269948 -3.495361 -0.814344
C -1.852086 0.678916 -0.431319
C -2.968553 1.231398 0.212313
C -1.569818 -0.686535 -0.286532
C -3.799406 0.424450 0.996155
C -2.389360 -1.501466 0.496832
C -3.497616 -0.932237 1.128560
H 2.800927 0.525806 -1.350475
H 0.586444 1.135923 0.736267
H 4.308098 0.001830 0.587551
H 3.048490 0.451593 1.740552
H 0.769967 3.490109 -0.058568
H 2.012921 3.053483 -1.232037
H 4.408981 2.329232 -0.301368
H 4.658614 2.328319 1.448865
H 2.293331 2.997591 1.849211
H 3.064862 4.144037 0.746711
H 0.900774 -1.173800 -0.782458
H 1.607512 -1.325280 0.830706
H 3.185224 -1.815600 -1.785167
H 3.785153 -2.110649 -0.152005
H -1.283562 1.454281 -2.371008
H -1.009388 2.608656 -1.008708
H 2.979589 -4.292009 -1.094769
H -3.198257 2.290304 0.106238
H -0.684849 -1.109330 -0.787497
H -4.667989 0.856011 1.494142
H -2.159903 -2.563805 0.605578


%chk=000181368-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000181368

0 1
Br -4.594391 -1.712748 2.649473
O 0.355067 1.010749 -1.573689
O 1.430300 -3.935942 -0.910248
C 2.392934 0.357044 -0.428642
C 1.160266 1.292238 -0.359119
C 3.345104 0.657945 0.761615
C 1.560284 2.781420 -0.294797
C 3.745820 2.149185 0.842190
C 2.497087 3.056388 0.906458
C 1.943834 -1.123412 -0.473550
C 3.089550 -2.130920 -0.662769
C -1.046689 1.449913 -1.510434
C 2.627422 -3.560772 -0.882609
C -1.884335 0.689546 -0.487878
C -2.760184 1.377934 0.385446
C -1.822440 -0.726035 -0.413934
C -3.569720 0.679066 1.312220
C -2.616142 -1.442072 0.507945
C -3.483643 -0.726071 1.360139
H 2.925231 0.596096 -1.375658
H 0.562396 1.027635 0.543135
H 4.255936 0.034001 0.678370
H 2.842339 0.360647 1.706722
H 0.657035 3.418418 -0.223962
H 2.073040 3.045164 -1.241212
H 4.345031 2.417253 -0.052386
H 4.391682 2.320795 1.724899
H 1.952127 2.864017 1.853971
H 2.791167 4.123285 0.918257
H 1.225184 -1.243662 -1.302194
H 1.390456 -1.370613 0.455192
H 3.727648 -1.856241 -1.532480
H 3.785453 -2.147443 0.203863
H -1.416804 1.258007 -2.534204
H -1.118289 2.541937 -1.322802
H 3.456773 -4.303568 -1.026038
H -2.818475 2.472719 0.348860
H -1.142800 -1.273723 -1.075065
H -4.244782 1.219531 1.981945
H -2.556472 -2.532910 0.558573


