[molpro-user] Spin Symmetry not possible?

[M Addicoat]

Hi,

I am undertaking a CASSCF (to be followed my MRCI) on a c2v system. It
is correctly detected as C2v and the HF converges fine. The CAS
immeidately dies with:

What have I done wrong?

Cheers,
M Addicoat

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 Number of closed-shell orbitals: 14 (  7  2  4  1 )
 Number of active  orbitals:      26 (  9  8  5  4 )
 Number of external orbitals:    197 ( 74 50 46 27 )

 State symmetry 1

 Orbital occupancy restrictions for symmetry 1
  0      0       00000002200000022000220002

 Number of electrons: 23    Spin symmetry=^@^@^@^@^@^@^@^@    Space symmetry=1
 Number of states:     1


*#*#*#*#*#*#*#*#*#*#*#*#*#*#*#*#*#*#*#*#*#*#*#*#*#*#*#*#*#*#*#*#*#*#*#*#*#*#*#*#
*#*#*#*#*#*#*#*#*#*#*#*#*#*#*#*#*#*#*#*#*#*#*#*#*#

                                                  ERROR DETECTED
                                                  **************

     SPIN SYMMETRY NOT POSSIBLE
----