%chk=000269541.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000269541

0 1
Br 3.519357 2.569996 0.814076
O -3.181127 1.843878 -0.984598
N -1.303737 -0.053741 0.081950
C -2.766332 -0.313285 0.149572
C -3.423067 1.100009 0.212772
C -3.138773 -1.091061 1.423332
C -3.246477 -1.053681 -1.106835
C -0.432038 -1.004512 0.094926
C 1.014547 -0.675407 0.018702
C 1.493204 0.592490 0.386922
C 1.913076 -1.660926 -0.424920
C 2.862786 0.847116 0.307198
C 3.279319 -1.380832 -0.501290
C 3.766790 -0.121897 -0.132711
H -4.524646 1.032038 0.248615
H -3.049723 1.677271 1.077010
H -4.225876 -1.162849 1.542881
H -2.753089 -2.115560 1.403827
H -2.741028 -0.607298 2.323702
H -3.087418 -0.431222 -2.001757
H -4.321407 -1.260717 -1.059295
H -2.730692 -2.004593 -1.259116
H -0.648294 -2.084854 0.155556
H -2.209349 1.942146 -1.120867
H 0.790455 1.361442 0.723295
H 1.547843 -2.645043 -0.716400
H 3.972788 -2.146185 -0.849684
H 4.834608 0.092178 -0.191165


%chk=000269541-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000269541

0 1
Br 3.502611 2.606238 -1.084110
O -2.942870 2.155959 -0.031282
N -1.346848 -0.028190 -0.021038
C -2.808728 -0.327519 0.107819
C -3.410186 0.987211 0.703320
C -3.166779 -1.524952 1.016188
C -3.347610 -0.545861 -1.332175
C -0.432308 -0.927648 0.200968
C 1.014733 -0.648794 0.052679
C 1.479332 0.627682 -0.370354
C 1.953628 -1.675754 0.334664
C 2.859653 0.843725 -0.497970
C 3.337750 -1.435006 0.199887
C 3.806299 -0.168672 -0.218700
H -4.510544 0.977326 0.614473
H -3.133480 1.054357 1.778598
H -4.259745 -1.550729 1.176757
H -2.881094 -2.491686 0.562120
H -2.679280 -1.443452 2.005741
H -3.172524 0.353800 -1.945673
H -4.435223 -0.739925 -1.300536
H -2.849605 -1.408425 -1.810324
H -0.673692 -1.964102 0.514185
H -1.975794 1.971417 -0.203121
H 0.749379 1.411452 -0.589445
H 1.597144 -2.660774 0.659589
H 4.060140 -2.228203 0.418629
H 4.877341 0.025424 -0.325193


