# opt freq=noraman b3lyp/def2tzvpp pop=npa empiricaldispersion=gd3bj scf=(maxconventionalcycles=150,xqc) Title -1 1 B 0.5829505 -1.7549161 0.3571504 B -0.1737142 1.3617072 -0.8574341 B 0.3388175 -0.3380299 1.4146543 B 1.7825764 -0.4158636 0.3670258 B 1.2967586 -1.1755058 -1.1740061 B -0.4819252 -1.5629484 -1.0636956 B -1.0548887 -1.0362862 0.5434552 B -0.8672408 0.7473518 0.6695368 B -1.3896398 0.0042663 -0.8674660 B 0.0925128 -0.0931880 -1.6946375 B 1.4861823 0.6329465 -1.0471856 B 0.8872477 1.1305127 0.5598454 Br -2.4980721 -1.9847901 1.4357288 Br -1.2383155 -3.0174886 -2.1058518 Br 1.0111969 -3.5251179 1.0370267 Br 3.5839254 -0.6539108 1.0583265 Br 2.8573126 1.5528820 -2.0704730 Br 1.6635571 2.6616948 1.4719339 Br -0.5982432 3.0717191 -1.6759820 Br -2.0957813 1.8408465 1.7055407 Br -3.1282012 0.2444956 -1.7007858 Br 0.4927404 -0.4910607 3.3503837 Br 2.4619743 -2.2114506 -2.3332776 H -0.0006105 -0.0007414 -2.8673189 C 0.0833749 -0.0853404 -3.9306577 H 0.1337538 0.8919787 -4.3633346 H 0.9709184 -0.6302458 -4.1761057 C -1.1456559 -0.8294522 -4.4850772 H -0.8498545 -1.7972567 -4.8325767 H -1.8768545 -0.9364560 -3.7112562 C -1.7480399 -0.0266434 -5.6530804 H -1.1507020 -0.1690907 -6.5293202 C -3.1831073 -0.5146331 -5.9251973 H -3.8781860 0.1202461 -5.4165777 H -3.2916903 -1.5184309 -5.5709378