Subject: CCL:some advise on how to optimize the MeOH when fixing O-H >=6 A using G03?

From: sunnylele <sjsongjing #%# gmail.com>
Date: Sat, 23 Apr 2005 23:47:02 -0500

Hi,
I just want to test the method with this trival structure.
when the O-H distance is fixed >=6 A, wavefunction is too hard to
converge, so optimization becomes impossible.

Now the best possible level is ub3lyp/6-31++G*, when the SCF can converge twice.
However, it is not enough for optimizaiton.

Thanks,
Jing