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Gaussian Job Archive for C39H42N6O4Zn2 10000491
Archive of work produced using the resources of the Imperial College High Performance Computing Service.
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InChI=1S/C32H28N6.C4H7O3.C3H7O.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;1-3(2)7-4(5)6;1-3(2)4;;/h1-16,21-24H,17-20H2;3H,1-2H3;3H,1-2H3;;/q-6;-2;-1;+4;+5scrf=(cpcm,solvent=benzene)freq=NoRamanoptFreqRwB97XD/6-31G(d)GenChkSCRF=CheckGuess=TCheckGeom=AllCheck#NC39H42N6O4Zn2[Zn]123(N4[CH]c5ccccc5N1c1ccccc1[CH]N2CCN1[Zn@@]2(N(c5c([CH]1)cccc5)c1ccccc1[CH]N2CC4)O[C](OC(C)C)O3)OC(C)CInChIKey=RZDTYELIDBRUAY-UHFFFAOYSA-NnosymmOrganic Chemistry
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