When can we expect ADF2001? I am looking forward to the analytical
second derivatives since I have a few frequencies that I have to
recalculate (turned out not to be right on the minimum so had a
negative freq - cartesian minimisations need tighter convergence
criteria than Z-Matrix in my experience). I can't face a 2 month wait
for the recalculation of frequencies for a molecule I thought I had
already done..
        Cheers,
                Dave

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Dr. David W. Price MA CChem MRSC      Tel: +44 (0)118 9875123  extn
7415
Department of Chemistry,              Fax: +44 (0)118 9316331
University of Reading,                mailto:d.w.price_at_reading.ac.uk
Whiteknights, 
READING
RG6 6AD 
U.K.
 
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