%chk=000279022.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000279022

0 1
Br -0.904460 1.881144 -0.769879
Br -5.633212 -2.311815 0.981570
N 3.560346 -0.834623 -0.931569
N 3.739879 0.946339 0.763042
N 0.176233 0.182110 0.371088
N -0.586327 -0.796123 0.104055
N 5.652709 0.078118 -0.320921
C 1.570399 0.042400 0.146265
C 2.212452 -0.843637 -0.774375
C 2.394434 0.934207 0.910414
C 1.465213 -1.804385 -1.625043
C 1.829406 1.871876 1.917738
C 4.290882 0.060359 -0.159411
C -1.985693 -0.486819 0.176895
C -2.389980 0.766348 -0.345606
C -2.948565 -1.415773 0.583232
C -4.294256 -1.063082 0.430657
C -3.724230 1.097203 -0.505084
C -4.694571 0.161135 -0.107802
H 2.114552 -2.327065 -2.345356
H 0.966481 -2.572755 -1.006109
H 0.661734 -1.305129 -2.192293
H 1.026275 2.492132 1.484705
H 1.370000 1.318058 2.753418
H 2.590719 2.545659 2.341785
H -2.645884 -2.377525 1.001444
H -4.024538 2.059848 -0.920373
H -5.752430 0.403413 -0.220571
H 6.224327 0.698595 0.230397
H 6.099006 -0.560215 -0.960712


%chk=000279022-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000279022

0 1
Br -1.617051 2.689636 -0.599610
Br -5.326089 -2.807812 0.537154
N 3.623142 -1.029909 -0.742761
N 3.820526 0.911954 0.756499
N 0.240551 0.315111 0.267519
N -0.599091 -0.571994 -0.211903
N 5.701603 -0.206421 -0.064928
C 1.619043 0.068427 0.105442
C 2.264906 -0.952202 -0.691031
C 2.467449 0.999864 0.813409
C 1.525757 -1.968594 -1.519665
C 1.892920 2.104282 1.663637
C 4.337873 -0.108154 -0.011900
C -1.984050 -0.232472 -0.069332
C -2.604260 1.047434 -0.184481
C -2.824635 -1.368702 0.119136
C -4.212595 -1.220353 0.243056
C -4.006015 1.175647 -0.081422
C -4.824527 0.047338 0.147221
H 2.254886 -2.545726 -2.109132
H 0.937183 -2.647493 -0.877216
H 0.784448 -1.485231 -2.179950
H 1.136426 2.681875 1.106403
H 1.369718 1.686891 2.543341
H 2.707691 2.761206 2.003816
H -2.339618 -2.347143 0.173357
H -4.467596 2.162020 -0.183581
H -5.908485 0.160679 0.230878
H 6.266464 0.459560 0.456761
H 6.124326 -0.939720 -0.629118


