CCL:G: spin density calculation

 Sent to CCL by: "Tian  Lu" [sobereva[-]sina.com]
 Hi Anuj,
 You don't need any special keyword. For the systems with spin multiplicity
 higher than 1, Gaussian by default carries out unrestricted open-shell
 calculation, and you can find Mulliken spin population at the end of the output.
 Note that spin density is a real space function, there are numerous ways to
 characterize its distribution. Via Multiwfn (http://multiwfn.codeplex.com) and using .fch or .wfn/.wfx
 file generated by Gaussian as input file, you can calculate spin density at any
 point, or plot spin density as curve map, plane map and isosurface map, see
 Section 4.1, 4.3, 4.4, 4.5 of the program manual for examples, respectively. In
 Multiwfn you can also calculate spin population (integral of spin density in
 certain region) by many partition methods such as Mulliken, SCPA, Becke,
 Hirshfeld, AIM basin and ELF basin, see Section 4.A.2 of the manual for an
 overall.
 --------------------------------
 Best wishes,
 Dr. Tian Lu
 Beijing Kein Research Center for Natural Sciences, Beijing, P. R. China
 (website: www.keinsci.com)
 ----- Original Message -----
 > From: "anuj tripathi tranuj()gmail.com"
 <owner-chemistry~~ccl.net>
 To: "Lu, Tian " <sobereva~~sina.com>
 Subject: CCL:G: spin density calculation
 Date: 2017-03-12 02:01
 I am using Gaussian Software