[molpro-user] Hessian printing

Terry Frankcombe tjf at rsc.anu.edu.au
Sun Jan 4 12:33:49 GMT 2009

With 2006.1, I used the following input:

{HF; WF 3 1 1}
{CASSCF; maxiter 40; occ 8}
{frequencies; print hessian}

which gave me the first and second derivatives in the output stream.

Using this with 2008.1 (patch 16) does not print the Hessian in any of the
text output files, even though the manual suggests it should.  What am I
doing wrong?

(The Hessian is saved to a record, but that doesn't help me much.)


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