%chk=000270481.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000270481

0 1
Br 4.145868 2.128432 -0.000046
N -0.023047 -2.327646 -0.000046
C -0.941371 0.387260 0.000012
C 0.485714 0.097916 -0.000020
C -1.846913 -0.699501 0.000021
C 0.898412 -1.260307 -0.000067
C -1.458106 1.709012 0.000022
C 1.477535 1.111897 0.000001
C -1.305806 -2.053416 0.000011
C -3.242839 -0.460561 0.000020
C 2.281730 -1.592281 -0.000128
C -2.823358 1.925573 -0.000006
C 2.812037 0.758400 -0.000061
C -3.723999 0.835248 -0.000008
C 3.231853 -0.590826 -0.000140
H -0.767158 2.552770 -0.000022
H 1.170662 2.160220 0.000021
H -2.007198 -2.899954 0.000052
H -3.929388 -1.307109 -0.000021
H 2.567453 -2.647103 -0.000186
H -3.219057 2.941690 -0.000044
H -4.796072 1.028416 -0.000043
H 4.296047 -0.834329 -0.000222


%chk=000270481-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000270481

0 1
Br 4.227969 2.153662 -0.000069
N -0.013911 -2.344092 -0.000061
C -0.938744 0.410210 -0.000026
C 0.493477 0.109676 -0.000049
C -1.851682 -0.701814 -0.000017
C 0.898612 -1.273494 -0.000071
C -1.479059 1.732265 -0.000015
C 1.504067 1.118169 -0.000050
C -1.309641 -2.048940 -0.000032
C -3.260526 -0.474602 0.000006
C 2.284733 -1.607158 -0.000102
C -2.866159 1.937706 0.000008
C 2.853193 0.752030 -0.000077
C -3.766754 0.831102 0.000019
C 3.266673 -0.609136 -0.000106
H -0.811431 2.599750 -0.000025
H 1.231726 2.176909 -0.000029
H -2.010086 -2.895595 -0.000021
H -3.937709 -1.337373 0.000012
H 2.551149 -2.667878 -0.000120
H -3.265477 2.957884 0.000019
H -4.847536 1.008928 0.000037
H 4.330115 -0.864407 -0.000131


