Subject: Looking for Property Program.

From: <[email-masked]>
Date: Mon, 29 Jul 1996 13:50:14 -0400

Dear CCL'ers

	I am looking for a program that can compute basic 
molecular properties given the natural orbital coefficients 
and basis set(up to and including f functions).  When I say 
'compute basic molecular properties', I mean dipole, quadrupole, 
r**2, etc. as expectation values over the given wave function 
RHF, MCSCF, MCSCF+1+2, etc. I am currently using Columbus to 
generate my wave functions, however, the property program that 
comes with the code is very limited in basis set size
and simply increasing array sizes gives all sorts of errors.

Does anyone know of any free code that might be of help?

Thanks in advance

Dan Lawson 
[email-masked]  

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