Gaussian Job Archive for C11H9NO2

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Gaussian Job Archive for C11H9NO2

2012-11-16T10:25:06Z (GMT) by Henry S. Rzepa

Archive of work produced using the resources of the Imperial College High Performance Computing Service.

Categories

Organic Chemistry

Keyword(s)

InChI=1S/C11H9NO2/c1-8(12)10(11(13)14)7-9-5-3-2-4-6-9/h2-7H,1H3/b10-7- InChIKey=CFJGDUUCXLGMQP-YFHOEESVSA-N C(=[N])([C]([CH]c1ccccc1)C(=O)[O])C C11H9NO2 rwb97xd/6-311G(d,p) opt(calcall,ts,noeigentest) integral=grid=ultraf

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