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Gaussian Job Archive for C50H80N4O9Zn2 - 104134
JobID: 104134
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;12-1scrf=(cpcm,solvent=dichloromethane)optFreqRwB97XD/6-31G(d)GenChkSCRF=CheckGuess=TCheckGeom=AllCheck#NC50H80N4O9Zn2[Zn@@]12(Oc3c4C[N@@H]5[Zn@@]6([N@@H](CC(C5)(C)C)Cc5c(O6)c(C[N@H]1CC(C[N@H]2Cc3cc(c4)C(C)(C)C)(C)C)cc(c5)C(C)(C)C)OCCCCCC(=O)O[C@@H]1CCCC[C@H]1OC(=O)C)OC(=O)CInChIKey=JMZZVYIWUAXRTM-NOQSWJGUSA-KtemperOrganic Chemistry
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