Subject: PSI88 and transition metals

From: "Dr K.D. Roth" <[email-masked]>
Date: Thu, 2 Nov 1995 14:36:08 +0000 (GMT)

Dear CCL'ers,
I am looking for way to display (and plot) molecular orbitals from Gaussian94
calculations. Now, I'm aware of PSI88, but to my knowledge it is a) restricted
to atoms up to Ar and b) to a few standard basis sets coming with G94. I'm 
trying to do calculations on first and second row transition metal complexes,
and I am using non-standard basis sets like those of Ahlrichs. Since I am cer-
tainly not the first fool (?) doing this, I was wondering, if some kind soul
out there has already done the necessary work and has extended PSI88 to con-
tain transition metals (I'm almost completely illiterate in FORTRAN, so I can't
do it myself ... at least not in a reasonable time :-) ). Any help will be 
greatly appreciated, in case that there is sufficient interest I'll summarize
for the list. Many thanks in advance to all those who will respond.

	Klaus-Dieter Roth

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				+
  Dr. Klaus-Dieter Roth		+	I'm trying hard to prove 
  Department of Chemistry	+	Murphy's law ....
  University of Leicester	+
  Leicester LE1 7RH		+		... but something always
  e-mail: [email-masked]		+		goes wrong ...
				+
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