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Gaussian Job Archive for C4H8

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posted on 2013-12-26, 18:10 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/2C2H4/c2*1-2/h2*1-2H2InChIKey=DKQVJMREABFYNT-UHFFFAOYSA-NC=C.C=CC4H8wB97XD/6-311G(d,p)irc(calcfc,recalc=5,maxpoints=100,maxcycle=40)Organic Chemistry

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