Subject: W:CCL: How to calculate the energy of photoexicited molecule

From: "Jinsong, , Zhao" <zh_jinsong () yahoo.com.cn>
Date: Thu, 7 Apr 2005 22:57:30 -0400

Dear all,

Would any one here like to give me a example about how to calculate the energy of photoexicited molecule using MOPAC?

I have used the keywords "1SCF AM1 GNORM=0.01 PRECISE MECI C.I.=2", but I don't know whether it's correct.

Thanks for any suggestions!

Best wishes,
Jinsong