%chk=000180714.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180714

0 1
Br 4.539228 0.911989 -0.356360
N 0.168757 -2.251158 -0.113019
N -4.491351 1.395956 -0.353545
C -1.344255 -0.596954 0.339661
C -0.037086 0.007707 0.221984
C -2.611900 0.120679 0.623147
C 0.892263 -1.053335 -0.061966
C -1.191732 -1.960059 0.132452
C -3.171128 0.770287 -0.657915
C 0.440633 1.326259 0.328447
C 2.271340 -0.812909 -0.240343
C 1.793247 1.570646 0.154606
C 2.678475 0.501675 -0.125705
H -3.374842 -0.569088 1.046240
H -2.450162 0.889297 1.407049
H -1.937598 -2.735422 0.141645
H 0.547173 -3.160757 -0.288382
H -3.333038 -0.013309 -1.432093
H -2.426550 1.481578 -1.075945
H -0.252299 2.137001 0.546587
H 2.960895 -1.624558 -0.454454
H 2.182243 2.585525 0.233761
H -4.894061 1.797210 -1.194898
H -4.386552 2.152140 0.315545


%chk=000180714-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000180714

0 1
Br 4.616477 0.924885 -0.372166
N 0.200883 -2.274651 -0.062914
N -4.478160 1.488469 -0.343542
C -1.351695 -0.634010 0.335898
C -0.039339 -0.019494 0.202597
C -2.663824 0.068189 0.582275
C 0.912382 -1.072793 -0.046018
C -1.159591 -2.005212 0.168819
C -3.183343 0.851717 -0.653511
C 0.431123 1.318014 0.278862
C 2.293720 -0.829877 -0.221056
C 1.804006 1.584129 0.110157
C 2.704100 0.510838 -0.137055
H -3.448227 -0.653548 0.873192
H -2.558748 0.778628 1.429302
H -1.891567 -2.810453 0.202449
H 0.602364 -3.198196 -0.206925
H -3.338191 0.138288 -1.483924
H -2.390968 1.564075 -0.987970
H -0.260478 2.145614 0.470441
H 3.009952 -1.634252 -0.410620
H 2.184172 2.607719 0.166971
H -4.992337 1.831123 -1.160213
H -4.431010 2.191197 0.401450


