[molpro-user] how to print mcscf molecular orbitals, part2

[Elizete Ventura do Monte]

Dear Wanyi,

Thanks for your reply! Your suggestion 
{multi;natorb,2140.2;
canonical,2141.2;}  worked. 

However, they are called PSEUDO canonical orbitals.
According to the manual (section 15.5) they come from diagonalization of an effective Fock
operator.  Thus, if I am thinking correctly they are not the real mcscf molecular orbitals
(that is, the final optimized orbitals resulting from the mcscf procedure). Is this correct?
Thanks again!
Elizete Ventura 


**********************************************
Elizete Ventura do Monte
Laboratório de Química Quântica Computacional
Departamento de
Química
Universidade Federal da Paraíba
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