%chk=000254687.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000254687

0 1
Br 2.358123 2.943667 -2.714566
O -0.077542 0.004778 -1.676345
O -2.028296 2.120741 -0.395304
O -2.860144 -0.200804 0.180463
O -0.392244 -3.288529 -1.015236
O -2.663312 2.773012 1.682254
O -3.049438 -1.466589 2.054413
O 1.516580 -3.664052 -2.178139
N 1.454307 1.382975 -0.528750
N 3.719133 1.879051 -0.544536
N 1.419141 0.009604 1.581704
N 3.615640 -0.153608 2.650895
N 5.561717 0.852192 1.758549
C -0.964223 1.303423 0.144427
C -1.420977 -0.164109 0.324163
C 0.062222 1.262631 -1.021951
C -0.815610 -0.953050 -0.858139
C 0.151974 -2.062913 -0.447861
C 2.018593 0.762273 0.605288
C 2.560659 2.011304 -1.172837
C 3.420808 1.094774 0.588266
C -2.846626 2.809761 0.492801
C -3.589981 -0.889819 1.146510
C 4.222402 0.601707 1.661352
C -3.868150 3.538941 -0.303561
C 0.393065 -4.004068 -1.902342
C -5.031830 -0.758466 0.811708
C 2.276022 -0.401421 2.562043
C -0.386338 -5.181276 -2.372754
H -0.592695 1.750946 1.094620
H -1.126299 -0.566234 1.326900
H -0.138006 2.028336 -1.814763
H -1.604696 -1.337099 -1.549226
H 0.181390 -2.256903 0.639973
H 1.178089 -1.873660 -0.829545
H -3.707930 4.627892 -0.241268
H -4.880493 3.336835 0.080577
H -3.849122 3.260019 -1.370773
H -5.197980 -0.259441 -0.156706
H -5.557105 -0.175201 1.586380
H -5.514426 -1.748648 0.769791
H 1.839873 -1.006691 3.377649
H 6.104339 0.473752 2.520281
H 6.036353 1.376781 1.038079
H -0.566619 -5.119125 -3.457827
H -1.364936 -5.266521 -1.873361
H 0.169289 -6.114671 -2.188600


%chk=000254687-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000254687

0 1
Br 2.426616 2.739727 -2.786320
O 0.045849 -0.411126 -1.496266
O -2.014154 1.929500 -0.781014
O -2.906878 -0.252835 0.636151
O -0.740605 -3.297378 -1.790232
O -2.964531 2.730642 1.197549
O -2.502583 -0.717257 2.898544
O 1.441602 -4.007684 -1.323289
N 1.518092 1.186285 -0.475945
N 3.752607 1.754723 -0.426190
N 1.402393 -0.090492 1.660658
N 3.566323 -0.162768 2.822341
N 5.519423 0.852894 1.966258
C -0.978145 1.207389 0.001586
C -1.460511 -0.218296 0.375100
C 0.170653 0.974799 -1.012702
C -1.136046 -1.067175 -0.872951
C -0.782296 -2.510035 -0.533850
C 2.048723 0.635316 0.708047
C 2.611660 1.828535 -1.105953
C 3.416754 1.004802 0.720357
C -2.984969 2.637743 -0.047543
C -3.305703 -0.447107 1.986210
C 4.188986 0.570412 1.836882
C -4.006687 3.232715 -0.987004
C 0.457804 -3.972961 -2.091067
C -4.796203 -0.253102 2.109921
C 2.237961 -0.446114 2.685810
C 0.351802 -4.616512 -3.455625
H -0.698430 1.801765 0.885859
H -0.893907 -0.550054 1.262479
H 0.052343 1.664670 -1.865748
H -1.981150 -1.029877 -1.586872
H -1.576325 -2.954275 0.092534
H 0.193181 -2.572106 -0.020688
H -3.519540 3.657758 -1.879267
H -4.588507 4.005157 -0.463531
H -4.691984 2.436673 -1.330683
H -5.323380 -0.653908 1.229716
H -5.000434 0.832233 2.166610
H -5.161221 -0.730318 3.031126
H 1.787392 -1.028876 3.493940
H 6.017721 0.506769 2.783944
H 6.003003 1.383958 1.245035
H 0.379291 -3.832974 -4.233852
H -0.605920 -5.152615 -3.558467
H 1.194629 -5.306126 -3.606906


