%chk=000186260.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186260

0 1
Br 0.908699 2.797179 1.781055
C 0.194073 -0.229792 -0.106378
C 1.651471 -0.013784 -0.146798
C -0.307517 -1.540347 0.231427
C 2.490446 -1.160878 -0.111787
C -0.746302 0.745828 -0.416110
C 2.297105 1.256693 -0.191263
C -2.140235 0.526394 -0.292909
C -2.614120 -0.745763 0.130413
C -1.671086 -1.771774 0.368269
C 0.618096 -2.654730 0.363910
C 1.937265 -2.482101 0.147662
C 3.890292 -1.053661 -0.269847
C 3.687131 1.339708 -0.328485
C -3.094843 1.564301 -0.578276
C 1.599864 2.569601 -0.049435
C 4.484747 0.189893 -0.398663
C -4.029018 -0.955210 0.277720
C -4.434833 1.333618 -0.432257
C -4.909533 0.054680 0.004487
H -0.436165 1.727654 -0.785711
H -2.030559 -2.761797 0.648974
H 0.202065 -3.630802 0.613930
H 2.635342 -3.318348 0.192800
H 4.499666 -1.956746 -0.278645
H 4.172004 2.315776 -0.368142
H -2.723924 2.534792 -0.903738
H 0.734940 2.679366 -0.738064
H 2.269416 3.431683 -0.230395
H 5.561712 0.282425 -0.530219
H -4.375989 -1.931805 0.611076
H -5.165589 2.113264 -0.641333
H -5.983223 -0.090018 0.112831


%chk=000186260-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000186260

0 1
Br 1.160769 3.880173 0.580884
C 0.192994 -0.238202 -0.034912
C 1.655352 -0.016707 -0.072895
C -0.316328 -1.610187 -0.044914
C 2.513027 -1.165239 0.138121
C -0.763454 0.797757 0.068289
C 2.311058 1.244678 -0.349302
C -2.166698 0.555067 0.049478
C -2.657821 -0.806207 -0.061453
C -1.704878 -1.857639 -0.081497
C 0.605272 -2.722313 0.059660
C 1.953960 -2.503252 0.204595
C 3.926451 -1.018510 0.234489
C 3.722215 1.343198 -0.246702
C -3.117293 1.630975 0.140308
C 1.633846 2.467510 -0.886167
C 4.533216 0.234338 0.077598
C -4.076357 -1.038302 -0.099903
C -4.487015 1.374863 0.101518
C -4.971005 0.027827 -0.023748
H -0.448165 1.829407 0.239047
H -2.055626 -2.897420 -0.096158
H 0.196230 -3.739227 0.063880
H 2.647488 -3.341466 0.338389
H 4.535297 -1.911162 0.419742
H 4.189924 2.316330 -0.438628
H -2.744760 2.658063 0.234711
H 0.677046 2.288682 -1.392243
H 2.306681 3.056487 -1.524138
H 5.618603 0.348173 0.161823
H -4.443291 -2.068069 -0.186076
H -5.204430 2.200138 0.166348
H -6.050910 -0.154467 -0.054049


