%chk=000267923.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000267923

0 1
Br 4.068845 -0.950017 -2.053598
O 1.083298 0.249249 -1.608090
O 0.847358 -1.334523 2.762329
N 0.866745 -0.469904 0.590993
N 2.728213 -1.728798 1.504919
N 3.439954 -1.617229 0.367452
C -0.533503 0.076024 0.785202
C -1.498194 -0.837053 0.052028
C -0.621228 1.551125 0.437825
C -2.245045 -1.760571 0.799718
C 0.440692 2.414246 0.753267
C -1.643973 -0.792372 -1.341497
C -1.797646 2.081420 -0.110685
C 1.559253 -0.325633 -0.667399
C 1.408395 -1.181396 1.699395
C -3.137070 -2.623013 0.156975
C 0.335411 3.782981 0.494919
C -2.535550 -1.657751 -1.980200
C -1.899775 3.452644 -0.364039
C -3.284219 -2.572690 -1.232978
C -0.833853 4.305936 -0.066619
C 2.904172 -0.969241 -0.623796
H -0.748315 0.012880 1.901199
H -2.130158 -1.812050 1.882976
H 1.353987 2.026169 1.200122
H -1.054282 -0.078724 -1.927889
H -2.642618 1.432136 -0.342857
H -3.716446 -3.336520 0.740835
H 1.167609 4.444025 0.732605
H -2.644118 -1.619207 -3.063303
H -2.815132 3.854366 -0.796442
H -3.978866 -3.245984 -1.732415
H -0.913017 5.372146 -0.269663
H 3.166977 -2.257473 2.274812


%chk=000267923-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000267923

0 1
Br 4.042054 -0.906293 -2.149549
O 1.125452 0.180442 -1.636105
O 0.733343 -1.275458 2.843104
N 0.882858 -0.472785 0.613300
N 2.665556 -1.674924 1.613808
N 3.460022 -1.617163 0.490858
C -0.529795 0.075781 0.711892
C -1.509289 -0.856661 -0.011477
C -0.590972 1.571726 0.372772
C -2.190269 -1.836225 0.756020
C 0.501522 2.424228 0.670304
C -1.740574 -0.792567 -1.410574
C -1.794591 2.150219 -0.098703
C 1.600007 -0.376054 -0.618042
C 1.370400 -1.146024 1.765888
C -3.085242 -2.740205 0.141366
C 0.405131 3.817701 0.473791
C -2.634485 -1.696809 -2.023314
C -1.894323 3.546275 -0.291840
C -3.309766 -2.672458 -1.252626
C -0.794456 4.386907 -0.011755
C 2.955234 -1.001478 -0.554706
H -0.742645 -0.014826 1.794194
H -2.013704 -1.892169 1.837327
H 1.436880 2.003651 1.058288
H -1.210572 -0.047044 -2.009831
H -2.657590 1.512414 -0.314325
H -3.605788 -3.489620 0.747715
H 1.264620 4.458495 0.700173
H -2.802572 -1.640693 -3.104535
H -2.832680 3.974998 -0.661188
H -4.003772 -3.371123 -1.733365
H -0.870445 5.468876 -0.165934
H 3.068352 -2.165937 2.413171


