%chk=000242797.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000242797

0 1
Br -1.652415 -0.000662 2.855486
Br 1.652286 0.000477 -2.863763
Br 5.938685 2.866282 -0.026935
Br -5.937555 2.866317 -0.088041
Br 5.938550 -2.866550 -0.027811
Br -5.937381 -2.866598 -0.089151
O 1.301399 -0.000573 2.429526
O -1.301467 0.000385 -2.437535
C 2.898845 -0.000087 0.012026
C -2.898695 -0.000088 -0.018574
C 1.421607 -0.000092 -0.010825
C -1.421442 -0.000100 0.002800
C 3.596161 -1.227234 0.001207
C 3.596123 1.227093 0.001647
C -3.595897 -1.227307 -0.015452
C -3.595858 1.227159 -0.014941
C 0.694551 -0.000333 1.203470
C -0.694375 0.000144 -1.211547
C -0.712507 -0.000336 1.208831
C 0.712583 0.000147 -1.216899
C 5.730891 -0.000080 0.066967
C -5.731378 -0.000074 0.011061
C 5.001237 1.202312 0.029300
C -5.001203 1.202189 -0.018836
C 5.001296 -1.202477 0.028883
C -5.001259 -1.202353 -0.019324
C 2.864608 -2.524236 -0.039673
C 2.864566 2.524105 -0.038759
C -2.864178 -2.524910 -0.011694
C -2.864113 2.524746 -0.010624
C 7.217861 0.000273 0.126005
C -7.219018 0.000290 0.051366
H 3.132463 -3.174600 0.808633
H 3.106769 -3.083753 -0.960607
H 1.771373 -2.417825 -0.025217
H 3.132482 3.174195 0.809739
H 3.106667 3.083922 -0.959526
H 1.771333 2.417683 -0.024261
H -1.771109 -2.417703 0.010929
H -3.131445 -3.127504 0.874217
H -3.107006 -3.134568 -0.897086
H -3.131404 3.126989 0.875519
H -1.771049 2.417495 0.012004
H -3.106885 3.134771 -0.895779
H 7.644853 0.003435 -0.891062
H 7.635478 0.873202 0.651132
H 7.636473 -0.875135 0.646123
H -7.642445 -0.874485 0.569260
H -7.641503 0.872806 0.573881
H -7.636400 0.003228 -0.968994
H 2.297149 -0.000562 2.345874
H -2.297201 0.000378 -2.353573


%chk=000242797-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000242797

0 1
Br -1.566836 -0.000593 2.961688
Br 1.566770 0.000485 -2.961688
Br 6.017928 2.922796 0.017524
Br -6.016124 2.923069 -0.085049
Br 6.017562 -2.923327 0.016882
Br -6.015744 -2.923567 -0.086231
O 1.434764 -0.000491 2.415349
O -1.434849 0.000378 -2.414990
C 2.935940 -0.000074 -0.011009
C -2.935758 -0.000081 0.014325
C 1.432649 -0.000051 -0.042978
C -1.432419 -0.000065 0.043214
C 3.635096 -1.247310 0.003108
C 3.635115 1.247149 0.003426
C -3.634816 -1.247288 -0.005032
C -3.634833 1.247126 -0.004504
C 0.740171 -0.000267 1.203652
C -0.739964 0.000166 -1.203361
C -0.673177 -0.000270 1.235268
C 0.673328 0.000175 -1.234979
C 5.810508 -0.000140 0.077042
C -5.811449 -0.000122 -0.020825
C 5.051346 1.201065 0.044903
C -5.051448 1.200922 -0.025444
C 5.051366 -1.201344 0.044571
C -5.051466 -1.201180 -0.025974
C 2.888857 -2.565483 -0.040196
C 2.888962 2.565376 -0.039581
C -2.888260 -2.566035 0.010824
C -2.888341 2.565898 0.011871
C 7.322970 0.000248 0.130347
C -7.324886 0.000278 -0.024779
H 3.169158 -3.211874 0.811050
H 3.141388 -3.124358 -0.959987
H 1.799675 -2.413360 -0.020593
H 3.169367 3.211591 0.811764
H 3.141474 3.124400 -0.959288
H 1.799770 2.413328 -0.019937
H -1.799222 -2.412831 0.027817
H -3.167274 -3.160479 0.899774
H -3.142167 -3.179395 -0.872975
H -3.167387 3.159983 0.901050
H -1.799295 2.412737 0.028806
H -3.142276 3.179583 -0.871695
H 7.747538 0.004605 -0.892171
H 7.704179 0.893837 0.647664
H 7.705076 -0.896881 0.640716
H -7.724808 -0.896452 0.472323
H -7.724145 0.893745 0.478803
H -7.712898 0.004343 -1.061765
H 2.413071 -0.000479 2.234493
H -2.413087 0.000317 -2.233826


