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Gaussian Job Archive for C13H15N2NaO7

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posted on 2012-11-11, 16:06 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/C13H10N2O4.Na.3H2O/c16-10-6-5-9(11(17)14-10)15-12(18)7-3-1-2-4-8(7)13(15)19;;;;/h1-4,9H,5-6H2,(H,14,16,17);;3*1H2/q;+1;;;/p-1/t9-;;;;/m1..../s1InChIKey=JGNGYQQFEBHQJE-RASHCQHBSA-MO=C1NC(=O)CC[C@H]1N1C(=O)c2c(C1=O)cccc2.O.O[Na].OC13H15N2NaO7FreqwB97XD/6-311G(d,p)scrf=(cpcm,solvent=water)#integral=grid=ulOrganic Chemistry

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