%chk=000267264.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000267264

0 1
Br 7.714136 -2.891791 -2.575898
Br -7.975303 -2.138112 2.545977
O 1.744321 2.981814 2.239007
O -1.464612 3.144353 -2.253119
O 2.071893 0.448168 -0.205159
O -2.036241 0.647475 0.183893
N 0.401335 1.198841 1.775883
N -0.300538 1.238428 -1.795273
N 1.423053 0.271051 2.038637
N -1.407291 0.414716 -2.060451
N 3.448723 -0.738120 1.246980
N -3.521104 -0.396145 -1.271369
C 0.198558 4.277783 -0.004939
C -0.379213 3.458517 1.156841
C 0.694674 3.410271 -1.169434
C 0.699685 2.590961 1.753265
C -0.462862 2.652866 -1.768458
C 4.415002 -1.224407 0.306203
C -4.530008 -0.789385 -0.331835
C 2.333014 0.050871 0.921550
C -2.334420 0.280406 -0.943885
C 5.430887 -2.063523 0.813434
C -5.622024 -1.525201 -0.841239
C 4.384513 -0.886424 -1.057457
C -4.467342 -0.459491 1.032706
C 6.410636 -2.556303 -0.047733
C -6.644950 -1.923372 0.018661
C 5.368999 -1.385024 -1.911873
C -5.495543 -0.862985 1.885841
C 6.371963 -2.213682 -1.402640
C -6.573689 -1.589635 1.374465
H -0.578954 4.982905 -0.371259
H 1.040505 4.903306 0.363531
H -1.266533 2.872188 0.823187
H -0.766079 4.142808 1.944354
H 1.521197 2.739957 -0.837845
H 1.145899 4.056560 -1.954823
H -0.383050 0.792653 1.224279
H 0.440472 0.756774 -1.244375
H 1.876968 0.486020 2.948337
H -1.838122 0.675199 -2.969487
H 3.554826 -1.076317 2.207791
H -3.659214 -0.719890 -2.233097
H 5.462845 -2.331491 1.867687
H -5.679458 -1.786074 -1.896193
H 3.595980 -0.237305 -1.455462
H -3.619935 0.109452 1.432388
H 7.198671 -3.204780 0.341339
H -7.491810 -2.491741 -0.372087
H 5.346173 -1.122638 -2.972331
H -5.447734 -0.606808 2.946985


%chk=000267264-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000267264

0 1
Br 7.497442 -3.685210 -2.318569
Br -7.831989 -2.956233 2.288203
O 1.987138 3.266043 2.065737
O -1.679866 3.440756 -2.082282
O 1.914661 0.394967 -0.473469
O -1.881730 0.575122 0.453675
N 0.475529 1.561175 1.587027
N -0.336536 1.599101 -1.606446
N 1.453287 0.584439 1.820542
N -1.402665 0.720027 -1.839306
N 3.283243 -0.684008 1.110056
N -3.355247 -0.352323 -1.132115
C 0.217118 4.708565 -0.008824
C -0.248527 3.883267 1.223821
C 0.604071 3.840982 -1.239285
C 0.838058 2.907827 1.667680
C -0.570226 2.974258 -1.684852
C 4.221638 -1.348829 0.270647
C -4.351610 -0.929050 -0.294419
C 2.218428 0.129219 0.733294
C -2.211296 0.344389 -0.753520
C 5.214674 -2.139711 0.908675
C -5.424860 -1.604251 -0.935402
C 4.208149 -1.254304 -1.145796
C -4.318739 -0.857703 1.123050
C 6.182183 -2.830247 0.151991
C -6.453045 -2.203058 -0.180671
C 5.177772 -1.945795 -1.903084
C -5.348919 -1.457630 1.878420
C 6.154403 -2.726845 -1.253963
C -6.405051 -2.124410 1.226334
H -0.599042 5.394840 -0.298077
H 1.093036 5.317496 0.278970
H -1.190772 3.351151 0.998776
H -0.446879 4.579469 2.059280
H 1.489401 3.220591 -1.010620
H 0.871022 4.513522 -2.075000
H -0.437089 1.228094 1.205124
H 0.539794 1.181535 -1.222385
H 1.856538 0.596111 2.762113
H -1.796371 0.759878 -2.784012
H 3.415879 -0.838258 2.112131
H -3.510953 -0.476425 -2.135059
H 5.239212 -2.219995 2.002810
H -5.464647 -1.665291 -2.030332
H 3.448735 -0.646153 -1.638435
H -3.497818 -0.337552 1.617860
H 6.941789 -3.436136 0.653430
H -7.274420 -2.719919 -0.684413
H 5.165417 -1.869790 -2.994133
H -5.321423 -1.399999 2.970326


