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Gaussian Job Archive for C60H92Si3
Archive of work produced using the resources of the Imperial College High Performance Computing Service.
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InChI=1S/C60H92Si3/c1-33(2)45-25-49(37(9)10)57(50(26-45)38(11)12)61-62(58-51(39(13)14)27-46(34(3)4)28-52(58)40(15)16)63(61,59-53(41(17)18)29-47(35(5)6)30-54(59)42(19)20)60-55(43(21)22)31-48(36(7)8)32-56(60)44(23)24/h25-44H,1-24H3InChIKey=ILMLYUGPFWPFJD-UHFFFAOYSA-N[Si]1([Si]([Si@]1(c1c(cc(cc1C(C)C)C(C)C)C(C)C)c1c(cc(cc1C(C)C)C(C)C)C(C)C)c1c(cc(cc1C(C)C)C(C)C)C(C)C)c1c(cc(cc1C(C)C)C(C)C)C(C)CC60H92Si3nmrwB97XD/Genscrf=(cpcm,solvent=toluene)integral=grid=ultrafineOrganic Chemistry
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