How to get the open shell singlet state (singlet biradical) of ozone (O3)

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6:08:37 PM PST - Mon, Jan 9th 2012
Hi, You will get <S2> = 0.5719 with Edo's input files. These are with B3LYP. I am curious how you got <S2>=0.414265 with Gaussian. Did you use pure HF ? Cheers, -Niri