%chk=000243987.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000243987

0 1
Br -3.242112 -3.441846 -1.161146
O -2.541299 -0.528252 1.390223
O -3.682767 -0.047100 -1.842357
O -5.770059 0.462099 0.062678
O 7.027070 1.526339 1.381551
O -4.132754 1.724302 0.996093
C -1.000251 -0.355925 -0.535294
C -0.005327 -1.328948 0.178197
C 1.434209 -1.089540 -0.292712
C 1.824359 0.366781 0.089547
C -2.360857 -0.909453 0.018900
C -0.650827 1.073819 -0.099045
C 3.285096 0.706145 -0.355840
C 0.809428 1.393457 -0.461562
C -0.640936 -2.716616 -0.034918
C -2.144235 -2.447119 0.144576
C 2.404302 -2.078737 0.371728
C -0.969277 -0.481250 -2.060390
C 4.250710 -0.371272 0.142145
C 3.845645 -1.805058 -0.063401
C 3.661121 2.081046 0.263870
C 3.423278 0.761197 -1.887623
C -3.653349 -0.507956 -0.733083
C 5.153389 2.391072 0.186678
C 5.450745 -0.082511 0.672145
C 5.978768 1.287378 0.818751
C -4.930821 -0.717800 0.088792
C -5.262537 1.640423 0.562748
C -6.302635 2.694686 0.456209
H -0.045842 -1.111584 1.280074
H 1.493676 -1.209145 -1.401155
H 1.799666 0.433571 1.207425
H -0.806553 1.192700 0.991602
H -1.326237 1.805206 -0.582812
H 0.902358 1.458858 -1.564004
H 1.056949 2.402247 -0.078076
H -0.390673 -3.118649 -1.033735
H -0.277621 -3.460724 0.693381
H -2.499926 -2.782578 1.147500
H 2.128304 -3.118134 0.111099
H 2.326608 -2.013457 1.475009
H 0.040673 -0.328383 -2.456818
H -1.312775 -1.461279 -2.410486
H -1.625044 0.263526 -2.536348
H 3.974213 -2.053412 -1.140100
H 4.530156 -2.493427 0.475367
H 3.343244 2.104365 1.326505
H 3.091451 2.885811 -0.239655
H 4.468843 0.892583 -2.189942
H 3.054870 -0.156675 -2.359612
H 2.855820 1.596888 -2.312321
H -2.719421 0.454906 1.466920
H 5.378162 3.357954 0.681316
H 5.481553 2.520188 -0.865011
H 6.130347 -0.857938 1.030419
H -4.728514 -0.985692 1.144544
H -5.585677 -1.477454 -0.385633
H -7.259623 2.308986 0.064847
H -5.971717 3.501107 -0.220697
H -6.498949 3.156474 1.437737


%chk=000243987-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000243987

0 1
Br -3.309208 -3.480208 -1.286137
O -2.429454 -0.456255 1.392752
O -3.714745 0.468369 -1.635851
O -5.911264 0.420459 0.178651
O 6.994842 1.625477 1.710292
O -4.287083 1.571976 1.382727
C -1.009996 -0.353152 -0.680401
C -0.015754 -1.304137 0.066555
C 1.458422 -1.108721 -0.342872
C 1.851534 0.380412 -0.073782
C -2.356813 -0.847587 -0.037328
C -0.623668 1.105375 -0.352497
C 3.365628 0.706182 -0.414874
C 0.855821 1.376441 -0.736672
C -0.661000 -2.704256 -0.107086
C -2.176100 -2.410570 0.054765
C 2.390944 -2.056891 0.443624
C -1.012512 -0.592552 -2.218185
C 4.267403 -0.342459 0.262468
C 3.877065 -1.799008 0.097968
C 3.703252 2.128193 0.135589
C 3.636261 0.657971 -1.953296
C -3.670545 -0.328032 -0.669370
C 5.214094 2.424658 0.227170
C 5.405265 -0.008264 0.953906
C 5.948148 1.361520 1.041501
C -4.980520 -0.736404 0.053577
C -5.428187 1.533490 0.849434
C -6.416613 2.669940 0.830143
H -0.090706 -1.038692 1.143014
H 1.572350 -1.334163 -1.423853
H 1.757680 0.517329 1.028965
H -0.753746 1.280207 0.733280
H -1.281694 1.815003 -0.889088
H 0.959743 1.337872 -1.837718
H 1.107758 2.409475 -0.434331
H -0.440719 -3.111519 -1.109270
H -0.329032 -3.445095 0.639980
H -2.581999 -2.744488 1.020779
H 2.143214 -3.112838 0.222362
H 2.231631 -1.905608 1.531208
H 0.011468 -0.546384 -2.625924
H -1.434766 -1.573840 -2.495040
H -1.618996 0.177671 -2.719326
H 4.041245 -2.095640 -0.960389
H 4.538350 -2.438812 0.710226
H 3.264834 2.224991 1.149777
H 3.220887 2.895665 -0.497348
H 4.708996 0.813165 -2.166349
H 3.347922 -0.311471 -2.396396
H 3.071414 1.450473 -2.474782
H -2.951974 0.399779 1.482991
H 5.405866 3.413431 0.680215
H 5.670395 2.447461 -0.783872
H 6.003654 -0.786632 1.445779
H -4.775860 -1.161899 1.049619
H -5.537883 -1.453590 -0.567422
H -7.450500 2.293905 0.806702
H -6.252228 3.268660 -0.084748
H -6.256124 3.319820 1.702987


