CCL: Percentage contribution of atomic orbitals to HOMO and LUMO

Hi tamil,
 You can use gaussum package.
 Its freely available.
 Best,
 Bijan
 On 8 Nov 2014 08:12, "Tian Lu sobereva : sina.com"
 <owner-chemistry]![ccl.net>
 wrote:
 >
 > Sent to CCL by: "Tian  Lu" [sobereva ~~ sina.com]
 > Hi,
 >
 > I suggest you use Multiwfn (http://multiwfn.codeplex.com) to compute the
 > orbital composition, which is freely-available and very easy-to-use.
 > Multiwfn supports four methods to calculate the atomic contribution
 > (1) Mulliken
 > (2) SCPA
 > (3) Stout-Politzer
 > (4) NAO method
 > Commonly (4) is the most ideal one but (1) or (2) works equally well when
 > diffusion functions are not used. Please follow the examples in Section 4.8
 > of the manual, the theory aspects are introduced in Section 3.10.
 >
 > Best wishes,
 >
 > Tian Lu
 > Beijing Kein Research Center for Natural Sciences
 > Beijing, P. R. China
 >
 >
 > ----- Original Message -----
 > > From: "Tamilmani Selvaraj stamilmani89]=[gmail.com"
 <owner-chemistry[-]
 > ccl.net>
 > To: "Lu, Tian " <sobereva[-]sina.com>
 > Subject: CCL: Percentage contribution of atomic orbitals to HOMO and LUMO
 > Date: 2014-11-07 13:24
 >
 >
 >
 > Sent to CCL by: "Tamilmani Selvaraj" [stamilmani89[*]gmail.com]
 > IIT Madras, Chennai
 > Hello,
 > This is Tamil from IIT madras, Chennai. Currently I am working in
 > transition metal complexes. I am using G09. I need to calculate percentage
 > contribution of atomic orbitals to HOMO and LUMO. I don't know how to do
 > that. Please let me know how to calculate it.http://www.ccl.net/chemistry/sub_unsub.shtmlhttp-:-//www.ccl.net/spammers.txt>;
 >
 >