CCL:G: G03 orbital contributions

[l l <leonids26]=[gmail.com>]

 Sent to CCL by: l l [leonids26\a/gmail.com]
 > Sent to CCL by: "Kayla  M Keller" [k.keller]_[sussex.ac.uk]
 > Could someone please tell me how to get the percentage orbital
 contributions (i.e. orbital-by-orbital population analysis) from a Gaussian 03
 output file (via software or otherwise). I understand >that G09 can do it but
 we haven't upgraded yet.
 Chemissian program can calculate atomic contributions to molecular orbitals.
 It is also possible to use different filters to select AOs (e.g. only
 AOs of one atom, or only "dxy" AOs etc).
 There are some notes about it at the pages:
 http://www.chemissian.com/contribsmo
 http://www.chemissian.com/ch170
 Chemissian also can display contribution from molecular fragments
 directly on the molecular orbital energy level diagram:
 http://www.chemissian.com/contribsonmos
 Best wishes.
 > Many thanks,
 > Kayla
 >
 >
 > --
 > Kayla M. Keller
 >
 > Computational and Synthetic Inorganic Chemistry
 >
 > Turner Group
 >
 > Department of Chemistry
 > University of Sussex
 > Falmer
 > Brighton
 > BN1 9QJ
 > UK
 >
 > k.keller^^sussex.ac.uk
 >
 > "Computers are incredibly fast, accurate and stupid.  Human
 beings are
 > incredibly slow, inaccurate and brilliant.  Together they are powerful
 > beyond imagination."
 >                    
                    --Albert
 Einstein
 >
 >
 >
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