[molpro-user] Optimisation of 2 states

[Jayashree]

I am trying to (geometry) optimise the energy of 2 electronic states for the
methoxy molecule, both of symmetry 1, using CAS-PT2. When I try to run a
procedure as given below- I get the following error message-
ERROR EXIT
 CURRENT STACK:      KRAFTA  MAIN

This is just before the start of the optimisation program. The input is as
follows-

basis=6-311+G(2d,2p)
 geomtype={zmat}
 geometry={Angstrom,nosym;
           c;
           o,c,oc;
           h1,c,h1c,o,h1co;
           h2,c,h2c,o,h2co,h1,dih1;
           h3,c,h3c,o,h3co,h1,dih2}
 oc=    1.475858059000000      ,
 h1c=    1.078404519000000      ,
 h2c=    1.078404519000000      ,
 h3c=    1.078404519000000      ,
 h1co=    142.2718831965561      ,
 h2co=    95.25137386975737      ,
 h3co=    95.25137386975737      ,
 dih1=    120.0000000000000      ,
 dih2=    240.0000000000000

 {optg,procedure=runrs2}
 runrs2={
 {uhf; occ,9; open,9.1; wf,17,1,1; save,2700.2};
 {casscf; start,2700.2; maxiter,40; occ,12; closed,6;wf,17,1,1;
 orbital,canonical;state,2;!weight,0.5,0.5;
 CPMCSCF,GRAD,1.1,spin=0.5,accu=1.0d-7,record=5101.1;
 CPMCSCF,GRAD,2.1,spin=0.5,accu=1.0d-7,record=5102.1};
 {rs2;state,2,1,2}}

What does KRAFTA mean? How do I calculate an optimised set of geometry
parameters for both ground and excited electronic states? Any suggestion
would be helpful.
-- 
Jayashree
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