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Gaussian Job Archive for C12H35CoN6

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posted on 2014-10-31, 09:09 authored by Henry S. RzepaHenry S. Rzepa
Archive of work produced using the resources of the Imperial College High Performance Computing Service.

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    InChI=1S/C6H16N2.C4H12N2.C2H7N2.Co/c1-7(2)5-6-8(3)4;1-5-3-4-6-2;3-1-2-4;/h5-6H2,1-4H3;5-6H,3-4H2,1-2H3;3H,1-2,4H2;/q;;-1;+1scrf=(cpcm,solvent=chloroform)wB97XD/6-311G(d,p)optfrrwb97xd/6-311G(d,p)GenChkSCRF=CheckGuess=TCheckGeom=AllCheck#NC12H35CoN6C1N[Co@@]([NH](CCNC)C)([N](C)(CCN(C)C)C)[NH2]C1InChIKey=QSIYGJWVWWAZRA-UHFFFAOYSA-Ngeom=connectivOrganic Chemistry

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