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Gaussian Job Archive for C7H7F3O3S

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posted on 2014-04-15, 17:03 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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Organic chemistry not elsewhere classified

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InChI=1S/C6H6.CHF3O3S/c1-2-4-6-5-3-1;2-1(3,4)8(5,6)7/h1-6H;(H,5,6,7)InChIKey=SOTVPQOAZNKYSI-UHFFFAOYSA-N c1ccccc1.OS(=O)(=O)C(F)(F)F C7H7F3O3S irc=(maxpoints=250,recalc=4,calcfc,maxcycle=40,tight,cartesian,lqa,s Organic Chemistry

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