Subject: GAUSSIAN QUESTION-BONDORDER

From: elewars <[email-masked]>
Date: Wed, 30 May 2001 22:58:29 -0400

2001 May 30

Hello,

Gaussian 98 has several options for atomic charges, but appears to offer
very little for bond orders.
Preferred over Mulliken bond orders nowadays are some based on less
arbitrary schemes, like Meyer bond orders and Lowdin bond orders (AIM is
too slow for routine use). A quick calculation of such bond orders at
e.g. the HF/3-21G level can be useful.

 ?Has anyone being able to get G98 to print out a Meyer or Lowdin *bond
order matrix*, i.e.

            C 1            C 2          H3 ......

C 1     3.9421

C 2      1.0378     3.9421

H 3     0.0025     0.9953      0.4322 .....

Thanks

E. Lewars
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