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Valentin Monev
vmonev@orgchm.bas.bg

>Hope this helps to some degree...

Oh, yes, it helps a lot, many thanks!

Based on the above, I intend to check whether planarity of a molecule is stable, using C1 and dlc for several points. If the z coordinates remain near zero (0.00xxx, the xxx I assign to insignificant round off errors), I can then use Cs symmetry from that point on, and this I know from experience speeds things up many times - in the considered molecule, it took just 7 points to optimize with Cs and 21 points were insufficient with C1!

Valentin