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Gaussian Job Archive for C4H3NO3

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posted on 2012-11-23, 14:53 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/C4H3NO3/c1-2-3(6)4(7)8-5-2/h1H3InChIKey=DBGRQMHRTHKSDX-UHFFFAOYSA-NC1(=NOC(=O)C1=O)CC4H3NO3irc=(maxpoints=150,calcall,maxcycle=40,tight,cartesian)integral=griOrganic Chemistry

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