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Date: Wed, 03 Nov 1999 10:30:04 -0600
From: "G. Rechtsteiner" <greg |-at-| nano.chem.nwu.edu>
Subject: ZINDO Parameters
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Hello:

I have a colleague looking for the following:

>What I need are the ZINDO/S parameters for chlorine.  The
>values for the two-electron, one-center Coulomb integrals would be most
>handy, as it seems that those are the ones that Hyperchem 5 is lacking.
>
>I'm running these calculations on a mixed valence compound in an organic
>cyclic framework.  It has a total of 70 atoms.  The molecule has two
>ruthenium ions in it, each to which two chlorides are ligated.  At the
>moment, I'm using fluorides instead.

Thank you,

Greg Rechtsteiner