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Gaussian Job Archive for F2S2
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posted on 2013-09-21, 07:31
authored by
Henry S. Rzepa
Henry S. Rzepa
Archive of work produced using the resources of the Imperial College High Performance Computing Service.
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Categories
Organic chemistry not elsewhere classified
Keywords
InChI=1S/FS2.F/c1-3-2;
InChIKey=UNCHUTLXUHLETQ-UHFFFAOYSA-N
[F].FS[S]
F2S2
rwb97xd/6-311G(d,p)
opt(calcall,ts,noeigentest,cartesian)
integral=g
Organic Chemistry
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CC BY 4.0
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