%chk=000236368.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000236368

0 1
Br 6.433561 -0.016930 0.002935
C -0.583590 -0.624784 0.002538
C -2.022177 -1.009417 0.003730
C -0.573865 0.861703 -0.004672
C -2.828704 0.176242 -0.002361
C -1.927544 1.340971 -0.007587
C 0.444697 -1.482378 0.007167
C -2.615493 -2.259841 0.009499
C 0.479939 1.758842 -0.008569
C -4.210215 0.093318 -0.002595
C -2.202458 2.696949 -0.014260
C -4.023139 -2.337345 0.009230
C 0.193325 3.139455 -0.015360
C -4.804407 -1.184598 0.003303
C -1.120294 3.599929 -0.018149
C 1.868910 -1.109237 0.006039
C 2.553146 -0.952873 -1.210364
C 2.551813 -0.940374 1.221523
C 3.912080 -0.628087 -1.214519
C 3.910741 -0.615561 1.223832
C 4.574159 -0.463197 0.004204
H 0.272413 -2.564125 0.012297
H -2.019531 -3.169275 0.014177
H 1.514920 1.418917 -0.006489
H -4.828358 0.987594 -0.007196
H -3.225445 3.064453 -0.016488
H -4.499900 -3.316526 0.013743
H 1.018742 3.850361 -0.018435
H -5.890747 -1.264621 0.003188
H -1.321750 4.670286 -0.023402
H 2.021257 -1.081643 -2.153034
H 2.018882 -1.059456 2.164879
H 4.441953 -0.506747 -2.160428
H 4.439580 -0.484506 2.169024


%chk=000236368-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000236368

0 1
Br 6.598642 -0.138616 0.002793
C -0.603941 -0.590229 0.002699
C -2.041398 -0.995026 0.003796
C -0.603479 0.901393 -0.004523
C -2.855776 0.181563 -0.002503
C -1.964004 1.359004 -0.007642
C 0.450273 -1.463580 0.007367
C -2.635004 -2.271932 0.009636
C 0.453398 1.835825 -0.008301
C -4.261149 0.082435 -0.002990
C -2.263887 2.734848 -0.014448
C -4.048044 -2.370659 0.009140
C 0.147786 3.219544 -0.015155
C -4.853394 -1.203823 0.002870
C -1.196715 3.665796 -0.018204
C 1.903868 -1.115921 0.006217
C 2.616128 -0.977111 -1.214137
C 2.615064 -0.963495 1.225575
C 3.999658 -0.687214 -1.224523
C 3.998584 -0.673458 1.233912
C 4.674411 -0.538569 0.004196
H 0.222500 -2.540201 0.012330
H -2.025474 -3.183004 0.014523
H 1.496457 1.508959 -0.006003
H -4.891424 0.978488 -0.007801
H -3.301519 3.086810 -0.016796
H -4.523799 -3.357535 0.013652
H 0.962724 3.951664 -0.018115
H -5.944884 -1.299809 0.002566
H -1.412097 4.740227 -0.023505
H 2.085359 -1.089457 -2.165639
H 2.083489 -1.065276 2.177816
H 4.536028 -0.579250 -2.171769
H 4.534122 -0.554893 2.180364


