[molpro-user] RS2C: Excessive norm in internal space

[Anastassia Alexandrova]

Dear All,
I am trying to run a single point calculation on a SA-CASSCF optimized geometry
of an excited S1 state. I am getting an error:

...
ITER. STATE  ROOT     SQ.NORM     CORR.ENERGY   TOTAL ENERGY   ENERGY CHANGE    
  DEN1      VAR(S)    VAR(P)      TIME
    1     1     2     1.09553815     0.00000000  -451.47381915     0.00000000   
-1.06275285  0.96D-01  0.20D+00   791.54

Excessive norm in internal space. istate= 1
   gnormi=     0.10D+02
   gnormi0=    0.00D+00
   gnormI1=    0.93D+01
   gnormI2=    0.39D-02

Could anyone please explain how to deal with it? Thank you much.
Anastassia
---------------------------------------
     Anastassia Alexandrova, Ph.D.
           Yale University
       Department of Chemistry
         225 Prospect Street
       New Haven, CT 06520-8107
         Phone: 203-432-6068
          Fax: 203-432-6068
    anastassia.alexandrova at yale.edu
http://zarbi.chem.yale.edu/~anastassia/
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