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Gaussian Job Archive for C7H7NO2S2

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posted on 2012-11-19, 14:31 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/C7H7NO2S2/c1-4(8)5(6(9)10)7-11-2-3-12-7/h2-3H2,1H3InChIKey=NVMALQPLEVZGQS-UHFFFAOYSA-NC(=[N])([C]([C]1SCCS1)C(=O)[O])CC7H7NO2S2opt(calcall,ts,noeigentest)rwb97xd/6-311G(d,p)integral=grid=ultrafOrganic Chemistry

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