CCL:G: How to calculate Hyperpolarizability using G03
- From: "veera pandian ponnuchamy"
<veera.pandi33::gmail.com>
- Subject: CCL:G: How to calculate Hyperpolarizability using G03
- Date: Mon, 10 Jan 2011 05:52:32 -0500
Sent to CCL by: "veera pandian ponnuchamy" [veera.pandi33(_)gmail.com]
I am a beginner in computational chemistry doing my M.Sc project on prediction
of hyperpolarizability of organic molecule using Gaussian 03/09. When I use
polar=enonly in the route section, the program completed successfully. I dont
know which value I have to take from the output to get the hyperpolarizability?
Whether my keyword is right or wrong? Any suggestions will be helpful
Thanks in advance.
By
Veerpandian.P