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Gaussian Job Archive for C11H18Cl2Na2O5S
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InChI=1S/C11H11ClOS.Cl.2Na.4H2O.H/c1-8-3-5-10(6-4-8)14-11(12)7-9(2)13;;;;;;;;/h3-7H,1-2H3;;;;4*1H2;/q;;;+1;;;;;/p-1/b11-7-;;;;;;;;InChIKey=GVIYSMOYFNELEG-RLFQWTBJSA-Mc1(ccc(cc1)SC(=CC(=O)C)Cl)C.[Cl].O[Na].O.[Na].O.OC11H18Cl2Na2O5Srb3lyp/6-31+g(d,p)irc=(maxpoints=150,recalc=10,calcfc,maxcycle=50,tOrganic Chemistry
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