%chk=000211042.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211042

0 1
Br -6.184769 2.260753 0.860073
Br -5.131838 -3.371946 0.933051
O -1.808079 1.355990 -1.878475
O -6.632509 -0.822633 1.399436
N 0.703316 0.813054 -0.814317
C 1.640939 1.754695 -0.117242
C -0.502021 0.435503 -0.023198
C 3.100159 1.256711 -0.190477
C -1.627762 0.174421 -1.075929
C 3.363226 0.064349 0.739403
C 1.508275 3.119913 -0.809250
C -0.287020 -0.779847 0.880809
C -2.968688 -0.069706 -0.423451
C 4.799642 -0.376638 0.640362
C -3.372326 -1.377242 -0.113668
C -3.813216 1.013590 -0.140889
C 5.184011 -1.319368 -0.325562
C 5.764248 0.158069 1.507950
C -5.046650 0.793025 0.470190
C -4.602320 -1.602703 0.501232
C -5.452503 -0.516228 0.798301
C 6.518249 -1.724202 -0.417792
C 7.097126 -0.250450 1.411417
C 7.477297 -1.192035 0.449880
H 1.355176 1.874996 0.960875
H -0.817941 1.313690 0.600312
H 1.192324 -0.016394 -1.160791
H 3.367300 0.993822 -1.233320
H 3.784648 2.087620 0.075612
H -1.352880 -0.654537 -1.766923
H 2.686440 -0.777907 0.490482
H 3.115141 0.337220 1.785680
H 1.793761 3.065556 -1.866600
H 0.470859 3.475703 -0.780083
H 2.134623 3.877663 -0.329349
H -1.180587 -0.994420 1.482185
H -0.051293 -1.687809 0.315924
H 0.533684 -0.609980 1.587846
H -0.920817 1.719173 -2.136676
H -2.722127 -2.222170 -0.355890
H -3.492986 2.025304 -0.422595
H 4.444411 -1.735988 -1.005455
H 5.476418 0.892540 2.257037
H 6.811503 -2.456687 -1.168248
H 7.841747 0.166415 2.087792
H 8.515162 -1.509285 0.376996
H -7.203558 -0.018598 1.570537


%chk=000211042-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000211042

0 1
Br -5.774162 3.065943 -0.717653
Br -6.271015 -2.346728 1.333502
O -1.207692 0.375311 -1.922461
O -7.102610 0.532513 0.641769
N 0.714995 0.119172 -0.194644
C 1.522766 1.219652 0.423127
C -0.630655 -0.147388 0.398462
C 3.014801 1.042609 0.050113
C -1.605195 -0.469320 -0.807645
C 3.713325 -0.170630 0.729062
C 1.001067 2.592092 -0.051817
C -0.619534 -1.249997 1.473409
C -3.064812 -0.211936 -0.462278
C 5.194984 -0.244422 0.385239
C -3.861575 -1.215586 0.140007
C -3.633957 1.057818 -0.721128
C 5.636315 -0.913745 -0.785503
C 6.162178 0.391960 1.205135
C -4.964356 1.302689 -0.354240
C -5.193767 -0.947623 0.503822
C -5.782433 0.321345 0.268990
C 7.006346 -0.946252 -1.129807
C 7.533801 0.362754 0.865399
C 7.960745 -0.306635 -0.304836
H 1.439923 1.173548 1.536348
H -0.977915 0.802363 0.846501
H 1.262115 -0.751004 -0.264154
H 3.102948 0.958595 -1.051602
H 3.556419 1.962806 0.340585
H -1.478839 -1.546334 -1.067816
H 3.220644 -1.115284 0.421440
H 3.580775 -0.083422 1.825510
H 1.170117 2.711315 -1.137425
H -0.081423 2.707703 0.134801
H 1.525736 3.408094 0.477930
H -1.623493 -1.392421 1.911351
H -0.296527 -2.218221 1.042754
H 0.072064 -0.991037 2.295908
H -0.215247 0.510648 -1.731132
H -3.451148 -2.215443 0.315307
H -3.028955 1.808066 -1.236235
H 4.902263 -1.416445 -1.428448
H 5.838465 0.907778 2.118288
H 7.329949 -1.471535 -2.035652
H 8.267791 0.855771 1.513005
H 9.023993 -0.333526 -0.568357
H -7.381424 1.457392 0.402273


