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Gaussian Job Archive for C40H42N6O6Zn2 109177
Archive of work produced using the resources of the Imperial College High Performance Computing Service.
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InChI=1S/C32H30N6.2C4H8O3.2Zn/c1-5-13-29-25(9-1)21-33-17-18-34-23-27-11-3-7-15-31(27)38-32-16-8-4-12-28(32)24-36-20-19-35-22-26-10-2-6-14-30(26)37-29;2*1-3(2)7-4(5)6;;/h1-16,21-22H,17-20,23-24H2;2*3H,1-2H3,(H,5,6);;/q-6;;;+3;+5/p-2scrf=(cpcm,solvent=benzene)freq=NoRamanoptFreqRwB97XD/6-31G(d)GenChkSCRF=CheckGuess=TCheckGeom=AllCheck#NC40H42N6O6Zn2[Zn]12(N3[CH]c4ccccc4N1c1ccccc1[CH]N2CCN1[Zn]2N(c4c(C1)cccc4)c1ccccc1CN2CC3)(OC(=O)OC(C)C)OC(=O)OC(C)CInChIKey=WISXYAYFCASOLB-UHFFFAOYSA-LnosymmOrganic Chemistry
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