Subject: Extracting Homo-Lumo Energies

From: Michael Soliman <[email-masked]>
Date: Fri, 26 Mar 1999 00:14:08 +0100

Moin Moin.

I just wanted to ask, whether somebody of You knows how to read out the
homo- and lumo-enegies for a set of
molecule conformations ( enumerated by a reaction-coordinate ) from a
mopac6 .out file. Of
course I tried to find something in the Manual and examined the
 .homo.out file, discovered the list of Eigenvalues but no partitioning
information.
So I just wanted to ask, whether You know how to accomplish this readout

or know a tool for doing this.

        Tschuess,
            Michael.

--
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Michael Soliman.
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