I want to calculate the single point energy of a molecule in the T1 state using CASSCF. Can anyone post a test file for the above mentioned calculation? The molecule is more stable at S0.
Diego Cortés-Arriagada
You can see the Gaussian Homepage.
Regards
http://gaussian.com/cas/
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Bojidarka B. Ivanova
Mr. Tom,
In addition you could pay attention to the following link:
http://www.cup.uni-muenchen.de/ch/compchem/testindex.html
In particular test164.
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