Wenli Zou
qcband@gmail.com
Morokuma's decomposition method is available only for restricted Hartree-Fock (RHF) wavefunction. A closely related method is SAPT, which can deal with DFT wavefunction.
http://www.physics.udel.edu/~szalewic/SAPT/
The program supports GAMESS, but maybe Firefly also works.
Best,
Wenli
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