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Re^8: Morokuma calculations

pejer
fajriah@gmail.com

Dear Alex,

Thank you for the reply. I've try to do morokuma calculations without D5 and succeed. But one more thing. When we have orbitals of one monomer, we can do morokuma for the dimer and put the orbitals of each monomer in VEC data (use MOREAD option). But, the program cannot read this orbital and it fails every time I use "GUESS=MOREAD" although I've follow the manual. Is morokuma can't generate dimer orbitals from its monomers orbitals?

Best regards,
Pejer

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