%chk=000218370.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218370

0 1
Br -2.802963 -4.958746 -0.637220
N -0.435147 -0.088567 -0.004095
N 2.406610 0.370339 0.082864
N -4.668677 0.811573 0.028102
C -1.842757 0.287543 0.012136
C -2.333906 1.560187 0.154961
C 0.250834 0.267368 1.283165
C 0.282158 0.504228 -1.182644
C -1.622548 2.868369 0.319312
C 1.699912 -0.257975 1.243946
C 1.732185 -0.016311 -1.201887
C -2.731250 3.942154 0.460134
C -3.771339 1.772595 0.159097
C -4.097065 3.230129 0.332484
C -2.792322 -0.798274 -0.135326
C -4.184013 -0.493487 -0.122721
C 3.839052 0.165006 0.045940
C -2.386343 -2.156116 -0.291438
C -5.145895 -1.542847 -0.266883
C 4.513078 -0.801897 0.809612
C 4.584126 1.054773 -0.758825
C -3.340385 -3.135328 -0.426921
C -4.730834 -2.843693 -0.416856
C 5.908851 -0.870508 0.778118
C 5.972321 0.972097 -0.789842
C 6.650448 0.009189 -0.020199
C 8.142510 -0.061400 -0.061649
H -0.301122 -0.224004 2.113768
H 0.252393 1.362776 1.483222
H 0.280967 1.616962 -1.172500
H -0.244590 0.176624 -2.105464
H -0.958842 2.855455 1.206336
H -0.969730 3.078937 -0.550192
H 2.221629 0.039354 2.179921
H 1.693883 -1.369612 1.196634
H 1.738198 -1.117665 -1.361815
H 2.278639 0.442600 -2.053154
H -2.650997 4.457555 1.432005
H -2.621996 4.718844 -0.315004
H -4.682861 3.608354 -0.527332
H -4.733445 3.390616 1.223839
H -1.314104 -2.382962 -0.298562
H -6.205247 -1.277217 -0.253565
H 3.965279 -1.509142 1.427280
H 4.068528 1.817551 -1.340347
H -5.455285 -3.652606 -0.527753
H 6.418458 -1.621643 1.379547
H 6.539730 1.663121 -1.411295
H 8.546092 -0.872908 0.557172
H 8.506444 -0.226473 -1.085572
H 8.594342 0.873683 0.299165


%chk=000218370-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000218370

0 1
Br -1.921041 -4.657497 -1.333902
N -0.408712 0.504925 0.036867
N 2.457966 0.253738 -0.054619
N -4.742102 0.688923 -0.061286
C -1.824808 0.597106 0.065092
C -2.552961 1.734209 0.463014
C 0.431846 1.220818 1.012556
C 0.286341 0.313286 -1.260910
C -2.104365 3.137317 0.862808
C 1.759184 0.460724 1.227010
C 1.612200 -0.437598 -1.055698
C -3.393508 3.782772 1.463647
C -3.993186 1.710742 0.378861
C -4.574738 3.063428 0.756511
C -2.604005 -0.572992 -0.330548
C -4.046286 -0.466603 -0.407862
C 3.862019 0.009737 -0.048176
C -1.992938 -1.839106 -0.598043
C -4.807861 -1.599608 -0.834926
C 4.594939 -0.163928 1.160400
C 4.596972 -0.024481 -1.271341
C -2.779065 -2.918657 -0.995375
C -4.192369 -2.816934 -1.139275
C 5.995381 -0.350529 1.138958
C 5.988948 -0.225122 -1.275463
C 6.725647 -0.389951 -0.071770
C 8.230716 -0.594469 -0.092849
H -0.102409 1.276519 1.976203
H 0.672919 2.254611 0.674818
H 0.501312 1.304059 -1.722332
H -0.363415 -0.249870 -1.949684
H -1.266841 3.163806 1.578455
H -1.771889 3.695698 -0.036627
H 2.395975 1.071525 1.890417
H 1.545604 -0.506843 1.740615
H 1.393527 -1.480526 -0.723006
H 2.143038 -0.500183 -2.018095
H -3.431263 3.578500 2.549677
H -3.414684 4.877553 1.327813
H -4.883031 3.599712 -0.163222
H -5.474991 2.960437 1.385440
H -0.917334 -1.955782 -0.443453
H -5.893305 -1.480013 -0.901493
H 4.080770 -0.179918 2.125932
H 4.083907 0.137498 -2.225303
H -4.780042 -3.680912 -1.461524
H 6.525584 -0.483328 2.090418
H 6.519374 -0.239730 -2.236319
H 8.628818 -0.755998 0.924107
H 8.513191 -1.470947 -0.706361
H 8.753973 0.282481 -0.520462


