Subject: Convention for the d orbitals in G94

From: Geoffrey <[email-masked]>
Date: Tue, 07 Oct 1997 11:44:19 +0200

Dear CCLers,

Is there anybody who could give me the matching between the labeling
that Gaussian 94 uses to describe the LCAO coefficents of the d orbitals
and the classical description of d orbitals (dZ2,dXY,DX2-Y2,...). 
I put below the labeling i got into the output of G94.

D 0         ->
D+1         ->
D-1         ->
D+2         ->
D-2         ->

I will sumarize the answers.
Thank you very much. 

Geoffrey
--
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    Geoffrey Pourtois, PhD student - Assistant
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      University of Mons-Hainaut
      Service de Chimie des Materiaux Nouveaux
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      Belgium
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    e-mail : [email-masked]
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    http://morris.umh.ac.be/

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