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

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Forum Vet

1:38:01 PM PST - Fri, Jan 6th 2012
Input files
I have upload two input files that gives you the singlet broken symmetry solution for O3. 1) Using the "mixang" directive http://nwchemgit.github.io/images/O3_singl.nw 2) Using the fragment guess option http://nwchemgit.github.io/images/O3_af.nw Cheers, Edo