Subject: Dissociation energy -G98

From: "borhan arifin" <[email-masked]>
Date: Thu, 28 Jun 2001 03:13:01 -0000

Hello everyone,

I am trying to calculate the dissociation energy of the triplet state of the hydrogen molecule by first optimizing it then calculating the frequencies based on the optimized geometry but the job ends with an error message and the link died. Below is a copy of the job based on an example given in the book written by James B. Foresman. What did I do wrong?

Appreciate if someone can help me. Thank you

Borhan Arifin

%chk=es_h2
#T RCIS/6-31+G(d) Test

H2 Excited States

0,1
H
H 1 0.74

--Link1--
%Chk=C:\GaussCalc\es_h2
%NoSave
#T RCIS(Nstates=2,50-50,Read)/6-31+G(d) Opt Freq
Geom=Check Guess=Read Test

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