%chk=000229313.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229313

0 1
Br 3.293705 3.640110 0.501549
O -5.344708 1.473626 -0.125543
O -4.785838 -0.365683 -1.268156
N 1.840703 -2.153555 -0.452535
C 0.206174 -0.879254 0.521822
C -1.073629 -0.437770 1.133749
C 1.359086 -0.039300 0.291849
C 0.518948 -2.153373 0.060127
C -2.130222 -0.162108 0.052365
C 2.370782 -0.859923 -0.317807
C -3.437679 0.347696 0.667800
C 1.634009 1.316911 0.539145
C -0.289794 -3.389463 0.036309
C 3.633656 -0.349520 -0.674720
C 2.881867 1.796685 0.179815
C 3.878703 0.989381 -0.418891
C -4.531566 0.382881 -0.355274
H -0.906389 0.474017 1.745230
H -1.442719 -1.205953 1.845043
H -1.737033 0.577338 -0.674935
H -2.320200 -1.083779 -0.536967
H 2.312979 -2.941519 -0.850099
H -3.761717 -0.307006 1.507398
H -3.296665 1.354957 1.119835
H 0.878127 1.953521 0.996982
H 0.222901 -4.234652 0.518674
H -1.246262 -3.251691 0.566279
H -0.541525 -3.693046 -0.992222
H 4.384987 -0.984526 -1.133700
H 4.843491 1.427205 -0.679290
H -6.096769 1.538392 -0.771533


%chk=000229313-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000229313

0 1
Br 2.996117 3.768865 0.272361
O -5.506881 1.557512 0.173103
O -4.463058 0.531653 -1.628217
N 1.936026 -2.229026 -0.350762
C 0.202711 -1.026003 0.531471
C -1.141479 -0.626387 1.089671
C 1.306651 -0.123852 0.250146
C 0.620269 -2.307815 0.150570
C -2.109642 -0.067426 0.010631
C 2.382156 -0.905711 -0.301990
C -3.438435 0.409542 0.628944
C 1.483700 1.274832 0.423582
C -0.097616 -3.626258 0.201658
C 3.613295 -0.331789 -0.680696
C 2.715427 1.829045 0.042208
C 3.777286 1.058736 -0.504621
C -4.467934 0.810560 -0.409649
H -0.998714 0.141742 1.877296
H -1.623594 -1.489881 1.589876
H -1.624361 0.769366 -0.525633
H -2.311281 -0.842670 -0.750782
H 2.473065 -3.022442 -0.694221
H -3.891243 -0.397412 1.242244
H -3.287880 1.260788 1.318429
H 0.689767 1.900900 0.840879
H 0.466413 -4.380536 0.783876
H -1.084733 -3.508861 0.676971
H -0.265941 -4.043533 -0.810221
H 4.428531 -0.930868 -1.100329
H 4.715942 1.543332 -0.786455
H -6.177163 1.784197 -0.528042


