cipt2 calculation of a excited state

[Kalju Kahn]

Hello, 

I am fairly new to molpro and I am not sure if the problem I am having
with cipt2 calculation of the exited state is a result of my limited
understanding of the method or a program bug.  I am running a cipt2
calculation on the third exited state of benzonitrile.  The molecule
has C2v symmetry and the exited state belongs to A1 irreducible
representation.  The A1 ground state calculation is successful and I
can do RS2 calculations in the exited state after using level shifts
around 0.15.  The relevant portion of my cipt2 input looks like this:
--------------------------------
basis,roos(3s2p1d/2s)

hf

multi
occ,15,6,8,2
core,6,0,2,0
closed,15,0,8,0
wf,54,1,0

cipt2
occ,15,6,8,2
core,6,0,2,0
closed,15,0,8,0
wf,54,1,0
maxiter,80,100
state,1,3
refstate,1,3

------------------------------------------------------
The MCSF calculation (with 8 active orbitals) converges well 
but the CIPT2 gives errors such as:
-------------------------------------------------------
 ITER. STATE  ROOT      NORM       CORR.ENERGY   TOTAL ENERGY   ENERGY
CHANGE       DEN1      VAR(S)    VAR(P)      TIME
    1     1     3     1.00000000      .00000000  -322.27571707     
.00000000    -1.01943454   .21D+00   .24D+00     2.52
 Iroot_sav.ne.Iroot  2  1
 Iroot_sav.ne.Iroot  2  1
 Iroot_sav.ne.Iroot  2  1
 Iroot_sav.ne.Iroot  3  2
  NON ZERO P-SP. GR. 4 0.179556391915008733E-03 1865.04788827882157
-198.689603078435340 -9.38667628422464162
  NON ZERO P-SP. GR. 92 -0.111436426434677544E-02 66.2648147447277722
-198.689603078435340 -0.333978184926314758
  NON ZERO P-SP. GR. 95 0.152961463925587989E-02 -92.3199827683084777
-198.689603078435340 0.465357071862743610
  NON ZERO P-SP. GR. 98 0.124105511663430770E-02 -123.801886049972268
-198.689603078435340 0.623769832647170230
  NON ZERO P-SP. GR. 371 0.101943413660130519E-02 -17.6176093034478427
-198.689603078435340 0.891752747872688462E-01
 Iroot_sav.ne.Iroot  2  1
 Iroot_sav.ne.Iroot  2  3
 Iroot_sav.ne.Iroot  2  1
 ** WARNING, NO CONVERGENCE CI_CIPT2 !!
 istat,energy,etest,gtest 2          -198.68345092       .463144E-02  
 .612218E-02
 Iroot_sav.ne.Iroot  3  4
-------------------------------------------------------------
I read that the CIPT2 program cannot handle multiple exited states but
I believe I am requesting only one exited state here.  The program I
am using is molpro2002_3 64 bit on IBM Power4 platform (NCSA p690).
Any suggestions are appreciated.

Thank you, 
Kalju

~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Dr. Kalju Kahn
Department of Chemistry and Biochemistry
University of California, Santa Barbara