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Gaussian Job Archive for C50H80N4O9Zn2 - 104136
JobID: 104136
Archive of work produced using the resources of the Imperial College High Performance Computing Service.
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InChI=1S/C34H56N4O2.C14H23O5.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;1-11(16)18-12-7-4-5-8-13(12)19-14(17)9-3-2-6-10-15;1-2(3)4;;/h11-14,35-40H,15-22H2,1-10H3;12-1opt=(ts,calcfc,noeigentest,cartesian)FreqRwB97XD/6-31G(d)GenChkSCRF=CheckGuess=TCheckGeom=AllCheck#NC50H80N4O9Zn2[Zn]123(Oc4c5C[N@H]1CC(C[N@H]2Cc1c(O3)c(C[N@@H]2[Zn]([N@@H](CC(C2)(C)C)Cc4cc(c5)C(C)(C)C)OCCCCCC(=O)O[C@H]2[C@H](OC(=O)C)CCCC2)cc(c1)C(C)(C)C)(C)C)OC(=O)CInChIKey=CAPXXTUXJUADKP-NOQSWJGUSA-Kscrf=(cpOrganic Chemistry
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