%chk=000283082.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000283082

0 1
Br 4.538237 -2.236745 0.034813
O -1.587294 -0.025513 -2.219984
N 0.439793 0.208039 -1.183053
C 1.051580 0.295208 0.171625
C -1.441340 0.005750 0.278894
C -0.166729 0.175392 1.100831
C 2.024571 -0.888028 0.405455
C 1.765130 1.652631 0.361598
C -2.097901 -1.360575 0.565278
C -2.420702 1.169120 0.537420
C -0.953675 0.051513 -1.189424
C 3.295924 -0.736280 -0.419824
C 3.054963 1.756661 -0.458083
C -3.423239 -1.522583 -0.189650
C -3.742333 0.976754 -0.217111
C 4.006920 0.588596 -0.163177
C -4.388006 -0.372091 0.126428
C -0.107391 0.213080 2.427796
H 1.515817 -1.845178 0.167154
H 2.265275 -0.945029 1.487607
H 1.992825 1.792779 1.436903
H 1.076854 2.477319 0.090344
H -2.273738 -1.454978 1.654719
H -1.404200 -2.178583 0.293861
H -1.953958 2.128821 0.246425
H -2.618114 1.239476 1.624970
H 0.999412 0.283877 -2.018585
H 3.090600 -0.879133 -1.503900
H 3.563242 2.714694 -0.230834
H 2.820598 1.795605 -1.539604
H -3.885102 -2.493403 0.063944
H -3.225479 -1.545417 -1.284176
H -3.553292 1.024418 -1.312510
H -4.433950 1.805588 0.016549
H 4.918567 0.671535 -0.787965
H 4.360341 0.647060 0.886813
H -5.324055 -0.497956 -0.449458
H -4.676335 -0.397274 1.193607
H 0.809580 0.331918 2.986955
H -0.978795 0.125331 3.062950


%chk=000283082-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000283082

0 1
Br 4.640638 -2.265623 0.001533
O -1.571588 -0.056066 -2.268655
N 0.470025 0.200057 -1.147259
C 1.077525 0.295642 0.199574
C -1.441325 -0.007424 0.255638
C -0.168608 0.154073 1.099763
C 2.091239 -0.875610 0.450393
C 1.800381 1.662520 0.397979
C -2.153075 -1.372385 0.547857
C -2.447175 1.167771 0.508606
C -0.906408 0.035279 -1.196827
C 3.347685 -0.721302 -0.417703
C 3.071873 1.785146 -0.472634
C -3.499347 -1.533714 -0.195272
C -3.790404 0.995100 -0.236780
C 4.061481 0.618478 -0.201249
C -4.454938 -0.357083 0.112248
C -0.123010 0.174242 2.452155
H 1.591086 -1.838649 0.248876
H 2.381707 -0.865800 1.516891
H 2.076276 1.755196 1.466289
H 1.089905 2.478711 0.172141
H -2.329395 -1.423152 1.641826
H -1.468899 -2.206166 0.296781
H -1.970335 2.128127 0.231179
H -2.635341 1.208729 1.601052
H 1.010077 0.268026 -2.010904
H 3.128195 -0.894211 -1.486220
H 3.577958 2.746338 -0.265297
H 2.799452 1.806047 -1.547846
H -3.962510 -2.494557 0.103156
H -3.314626 -1.576432 -1.284379
H -3.613047 1.041779 -1.326838
H -4.461662 1.834880 0.029902
H 4.943693 0.694997 -0.861107
H 4.423248 0.673444 0.843408
H -5.395933 -0.474770 -0.458229
H -4.726141 -0.370406 1.189656
H 0.815343 0.288029 3.006966
H -1.029419 0.073134 3.058931


