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Gaussian Job Archive for C8H4O3 - 104337

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posted on 2015-11-17, 16:02 authored by Charles RomainCharles Romain

JobID: 104337

Archive of work produced using the resources of the Imperial College High Performance Computing Service.

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    InChI=1S/C8H4O3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-4Hscrf=(cpcm,solvent=dichloromethane)optFreqRwB97XD/6-31G(d)GenChkSCRF=CheckGuess=TCheckGeom=AllCheck#NC8H4O3c1cccc2c1C(=O)OC2=OInChIKey=LGRFSURHDFAFJT-UHFFFAOYSA-NtemperOrganic Chemistry

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    CC BY 4.0

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