CCL:G: Computational chemistry problem



 Sent to CCL by: "Ahmed S Abo Dena" [ahmed_said5899]=[yahoo.com]
 I am working with a c.T. complex on Gaussian 09 now. The resulting TDDFT
 transitions do not match the experimental ones. The question is: should I use
 the same basis set and functional for both optimization and TDDFT calculations?
 When I changed the functional the results were very similar to the experimental
 results.
 Thank you.
 Ahmed
 E-mail: Ahmed_said5899*_*yahoo.com
 Cairo Univerity