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Gaussian Job Archive for C52H74N4O10Zn2 -104291
JobID: 104291
Archive of work produced using the resources of the Imperial College High Performance Computing Service.
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InChI=1S/C34H56N4O2.C16H17O6.C2H4O2.2Zn/c1-31(2,3)27-11-23-15-35-19-33(7,8)21-37-17-25-13-28(32(4,5)6)14-26(30(25)40)18-38-22-34(9,10)20-36-16-24(12-27)29(23)39;1-10(17)20-13-8-4-5-9-14(13)21-16(19)12-7-3-2-6-11(12)15(18)22-16;1-2(3)4;;/h11-14,35-40H,15-2opt=(ts,calcfc,noeigentest,cartesian)FreqRwB97XD/6-31G(d)GenChkSCRF=CheckGuess=TCheckGeom=AllCheck#NC52H74N4O10Zn2[Zn]12[N@H]3Cc4c5O[Zn@]6([N@@H](Cc7c(c(C[N@@H]1CC(C3)(C)C)cc(c7)C(C)(C)C)O2)CC(C[N@H]6Cc5cc(c4)C(C)(C)C)(C)C)OC(=O)C.O(C(=O)C)[C@H]1[C@H](O[C@]2(c3ccccc3C(=O)O2)[O])CCCC1InChIKey=NTXBWTCEGOYYKY-ITZJTZFHSA-Kscrf=(cpOrganic Chemistry
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