EMIL vs symmetry

Subject:

if B is 1s22s22p1, what is Li?

Passfield:

Comments:
: Dear MOLCAS Users, : I have a problem regarding EMIL syntax and symmetry specification: having Li2 dimer I want to calculate CAS wavefunction using D2h. In EMIL, nosym means no symmetry, and if blank - highest symmetry possible is used. Indeed, but I found that the order of irreps has totaly changed! MOLCAS refuses to accept Symmetry keyword in SEWARD. I expect that this change can be due to different symmetry generators. I like EMIL, but I need: : Symmetry : X Y Z : How to controll this?? : Any help will be appreciated, : Regards : Pawel Wielgus