%chk=000271342.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000271342

0 1
Br 4.258852 -2.686470 0.871520
Br 3.713630 2.687509 -0.564103
N 5.080801 0.194850 0.004452
C -2.967239 -0.056956 0.248145
C -1.499606 0.012340 0.023842
C -3.609920 0.341799 -0.971923
C -0.540292 -0.284132 0.911294
C -1.341645 0.464316 -1.388606
C -2.553987 0.653200 -1.958392
C 0.902260 -0.183662 0.649674
C -3.714942 -0.410860 1.355419
C -4.988950 0.380193 -1.066185
C 1.466298 1.027437 0.203963
C 1.722194 -1.304625 0.874643
C 3.674951 -0.011521 0.191808
C -5.121405 -0.369848 1.252295
C -5.743965 0.017026 0.068254
C 3.089875 -1.208838 0.633868
C 2.837256 1.099582 -0.012727
C 5.537507 -0.055532 -1.393749
H -0.798523 -0.634032 1.916254
H -0.371623 0.592324 -1.837522
H -2.774298 0.973854 -2.961488
H -3.243539 -0.714018 2.286776
H -5.485854 0.680820 -1.984903
H 0.829074 1.901087 0.047826
H 1.283822 -2.242110 1.221913
H -5.723497 -0.646234 2.116618
H -6.831497 0.041973 0.010458
H 5.646191 -0.360849 0.662063
H 6.563602 0.339458 -1.487403
H 5.536178 -1.118991 -1.678789
H 4.911689 0.495012 -2.115697


%chk=000271342-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000271342

0 1
Br 4.196060 -2.376503 2.040479
Br 3.595379 2.291874 -1.557759
N 5.167956 -0.238348 -0.010999
C -3.048942 -0.063946 0.160160
C -1.610022 0.062615 -0.204963
C -3.824500 0.506319 -0.905642
C -0.571400 -0.399479 0.583438
C -1.589885 0.718075 -1.529080
C -2.887112 0.970760 -1.940448
C 0.873227 -0.280611 0.406781
C -3.687283 -0.595675 1.295759
C -5.231965 0.537099 -0.835751
C 1.510815 0.685404 -0.425560
C 1.727681 -1.147272 1.153273
C 3.789485 -0.183029 0.107675
C -5.104619 -0.566798 1.362862
C -5.868523 -0.006354 0.308940
C 3.111696 -1.098311 0.991570
C 2.905564 0.742493 -0.546635
C 6.008467 0.181281 -1.144444
H -0.865835 -0.959935 1.483753
H -0.695977 0.912299 -2.121723
H -3.182613 1.423814 -2.889846
H -3.113503 -1.028086 2.124280
H -5.826627 0.972691 -1.646708
H 0.911781 1.451068 -0.921331
H 1.288697 -1.880620 1.836754
H -5.614872 -0.981264 2.239546
H -6.961834 0.007409 0.383027
H 5.617366 -0.864120 0.661273
H 6.923993 -0.435651 -1.131283
H 5.497491 0.013453 -2.107807
H 6.303251 1.243448 -1.089991


