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Gaussian Job Archive for C6H6Br2

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posted on 2014-03-12, 06:27 authored by Henry S. RzepaHenry S. Rzepa
Archive of work produced using the resources of the Imperial College High Performance Computing Service.

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    InChI=1S/C6H5Br.BrH/c7-6-4-2-1-3-5-6;/h1-5H;1HInChIKey=YFZFIMRPCUJUNK-UHFFFAOYSA-Nc1cccc(c1)Br.BrC6H6Br2ub3lyp/6-311++G(2d,2p)guess(mix)IRC=(reverse,maxpoints=150,recalc=Organic Chemistry

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