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