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Gaussian Job Archive for C42H66N4O9Zn2
Archive of work produced using the resources of the Imperial College High Performance Computing Service.
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InChI=1/C34H56N4O2.C5H9O3.C2H4O2.CO2.2Zn/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;1-4(3-6)8-5(2)7;1-2(3)4;2-1-3;;/h11-14,35-40H,15-22H2,1-10H3;4H,3H2,1-2H3;2H,1H3;;;/q;-1;-2;;InChIKey=NOISMAPSTIZCMU-HRHCZSIPSA-L[Zn]12(OC[C@H](C)OC(C)=O)[N@@H]3Cc4c5O[Zn]67([N@@H](CC(C)(C[N@@H]6Cc5cc(c4)C(C)(C)C)C)Cc4c(O7)c(C[N@H]1CC(C3)(C)C)cc(c4)C(C)(C)C)O[C@@H](O2)C.C(=O)=OC42H66N4O9Zn2FreqwB97XD/Genintegral=grid=ultrafinetemperature=343.15scrf=(cpcOrganic Chemistry
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