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Gaussian Job Archive for C18H25NO4
Archive of work produced using the resources of the Imperial College High Performance Computing Service.
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InChI=1S/C18H23NO3.H2O/c20-17(13-7-2-1-3-8-13)14-9-4-5-10-15(14)19-12-6-11-16(19)18(21)22;/h1-3,7-8,14,16-17H,4-6,9-12H2,(H,21,22);1H2/t14-,16+,17+;/m1./s1b3lyp/TZVPopt=(CalcFC,TS,NoEigenTest,cartesian,Tight)FreqRB3LYP/TZVPGenChkSCRF=CheckGuess=TCheckGeom=AllCheck#PC18H25NO4[C@H]([C@H]1[C](N2[C@@H](CCC2)C(=O)O)CCCC1)([O])c1ccccc1.OInChIKey=WQPIAEGFYLDCBM-YPYJQMNVSA-Nint=griOrganic Chemistry
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