%chk=000257420.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257420

0 1
Br -1.893846 1.086488 2.283908
O -1.491739 1.253422 -1.859755
O 5.441923 -1.078334 0.108327
O -5.745619 -0.389803 0.276271
C -1.460028 -0.508818 -0.205895
C 0.019777 -0.545942 0.281246
C 0.816635 0.669601 -0.294453
C -2.150906 0.794112 0.331981
C 2.185151 0.647950 0.393474
C 2.974904 -0.630798 -0.042700
C -1.405800 1.849038 -0.529698
C 0.065223 2.000271 -0.127761
C 0.755543 -1.860394 -0.058892
C 2.207138 -1.863542 0.462982
C -1.499596 -0.205587 -1.730803
C -2.225772 -1.775359 0.192270
C 3.185107 1.794147 0.168179
C 4.344667 -0.356405 0.659307
C -3.656292 0.831261 0.083112
C 4.550055 1.179171 0.553342
C -3.727981 -1.697536 -0.089883
C -4.345186 -0.454142 0.567512
C 3.186121 -0.733378 -1.560439
H 0.019526 -0.469100 1.398019
H 0.957663 0.516216 -1.395921
H 2.004015 0.590468 1.499210
H -1.926745 2.817911 -0.634844
H 0.155375 2.389783 0.903253
H 0.540739 2.764953 -0.773925
H 0.752905 -2.030428 -1.151824
H 0.220279 -2.720736 0.385256
H 2.208839 -1.889928 1.568787
H 2.719757 -2.790350 0.143633
H -0.622857 -0.568649 -2.285115
H -2.424244 -0.535603 -2.226504
H -2.066802 -1.962857 1.276388
H -1.801369 -2.654110 -0.332269
H 2.944863 2.674112 0.784314
H 3.180611 2.137145 -0.879505
H 4.353311 -0.709813 1.712389
H -3.846186 0.979803 -1.003066
H -4.130163 1.709671 0.568903
H 5.325794 1.416950 -0.191885
H 4.917476 1.586632 1.508673
H -3.920717 -1.692253 -1.179069
H -4.235185 -2.605032 0.294051
H -4.347055 -0.529016 1.680788
H 2.229550 -0.793087 -2.094519
H 3.716945 0.136774 -1.960284
H 3.757725 -1.633436 -1.814842
H 5.575845 -0.866720 -0.836046
H -5.915276 -0.319124 -0.681278


%chk=000257420-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000257420

0 1
Br -1.960906 1.028954 2.381925
O -1.516833 1.329700 -1.847606
O 5.491330 -1.190419 0.318344
O -5.871094 -0.389405 0.282551
C -1.484401 -0.509591 -0.214754
C 0.017786 -0.546781 0.254834
C 0.813568 0.692904 -0.284218
C -2.184367 0.787628 0.335702
C 2.221646 0.658897 0.338443
C 3.012113 -0.629490 -0.052586
C -1.420872 1.880188 -0.452045
C 0.056461 2.024403 -0.047878
C 0.762107 -1.868939 -0.082103
C 2.225699 -1.862989 0.448026
C -1.539144 -0.167060 -1.735733
C -2.262966 -1.796286 0.156958
C 3.222616 1.812832 0.069942
C 4.356243 -0.337382 0.689409
C -3.708878 0.820398 0.093668
C 4.609027 1.192764 0.454518
C -3.789883 -1.713523 -0.095645
C -4.422403 -0.467401 0.552057
C 3.293943 -0.752527 -1.573436
H 0.000026 -0.471947 1.362128
H 0.918617 0.589353 -1.383180
H 2.080576 0.610856 1.443811
H -1.954903 2.845123 -0.469359
H 0.122285 2.342620 1.009523
H 0.512145 2.823254 -0.661751
H 0.757444 -2.047575 -1.177238
H 0.232056 -2.724864 0.375818
H 2.199758 -1.847509 1.558145
H 2.738256 -2.799300 0.153870
H -0.672065 -0.575022 -2.285834
H -2.467048 -0.522204 -2.218728
H -2.084983 -2.006097 1.230815
H -1.852838 -2.657571 -0.402704
H 2.989672 2.712973 0.665312
H 3.200687 2.113230 -0.994993
H 4.228033 -0.551664 1.766374
H -3.870362 0.964092 -0.995825
H -4.153073 1.692716 0.604086
H 5.351208 1.329985 -0.356427
H 5.039114 1.661283 1.356339
H -3.998801 -1.692464 -1.186521
H -4.283056 -2.619346 0.302590
H -4.376006 -0.546154 1.651377
H 2.367896 -0.828143 -2.166696
H 3.860844 0.110799 -1.968901
H 3.880792 -1.669428 -1.768738
H 5.793934 -0.935686 -0.590149
H -6.006902 -0.342586 -0.699113


