[molpro-user] ORDCP: ERROR IN ASSIGNING SYMMETRY

[Mario Tacconi]

Dear Molpro Users,

I'm working on the construction of the Cs-NH PES at the casscf level of 
theory. I'm using a Jacobi coordinate system. Now the problem:
During the quartet surface scan, after a converged casscf calculation 
step, I found this error:

  CI vector for state symmetry 3
  ------------------------------
 

  0000 +000 +000 +      0.9988687
 

  TOTAL ENERGIES                       -74.74501426
  ORDCP: ERROR IN ASSIGNING SYMMETRY FOR STATE  3.4

The problem arise only for R values smaller than 3.50 angs. Is that a 
program problem? Anyone knows a way to overcome this problem?

Best regards,

Mario Tacconi