Subject: On Energies of LUMO/HOMO in G94'

From: "yongwen" <[email-masked]>
Date: Sun, 9 May 1999 09:44:12 -0700

Dear CCLs,

    I am interested in the energies of LUMO and HOMO. I can get the orbital coefficients of them with "POP=REG" in Guassian94, but no thier energies. Does anyone can help me? Can G94 give the energies of LUMO/HOMO? If not, would you mind to instruct me which programs can do that work? Your any kindly reply will be very appreciated. I'll summary.

    Thanks in advance.

yongwen
EMail: [email-masked]