UHF singlets (fwd)

[Rodolphe POLLET]

> You can use the ROTATE option to destroy the symmetry.
> Joachim Werner

Could you give me the example for H2 at 2.4 ang ?

> 
> >
> > Dear Molpro users,
> >
> >  How can one force an UHF calculation instead of of a RHF one for a singlet
> > state (e.g. H2, F2, ...) ?
> >
> > NB: in Gaussian, this is achieved by the option guess=mix, which mixes HOMO
> > and LUMO orbitals so as to destroy alpha-beta symmetry.