[molpro-user] converting symmetry of orbitals

[Benjamin Levine]

Dear Molpro users,
I would like to calculate a set of orbitals with symmetry enforced, and 
then open those orbitals in matrop such that they are represented in C1 
symmetry (so that I can break the symmetry of the orbitals by hand).  
Unfortunately, if I do the initial calculation without symmetry enforced 
the wavefunction breaks symmetry on its own and is not useful for my 
purposes.  Is there an easy way to convert the representation of a set 
of orbitals from a higher point group to C1?  Thanks in advance for your 
help!

Ben

-- 
Benjamin G. Levine
Assistant Professor
Department of Chemistry
Michigan State University
East Lansing, MI

517-355-9715 x169
http://levinegroup.chemistry.msu.edu/