[molpro-user] ?ERROR: " MCSCF not converged"

[syed aleem]

Hi users!

I been trying to calculate first five states of methyl fluoride my input is
as follows

 ***,coupling constants
 ***,coupling constants
  memory,350,m
  basis={h=aug-cc-pvtz,
         c=aug-cc-pvtz,
         f=aug-cc-pvqz
         ECP,F,2,3,0;
         1; 2,1.000000,0.000000;
         1; 2,16.762800,96.241900;
         1; 2,19.857600,-4.581900;
         1; 2,0.031600,-0.001500;}
  geomtyp = xyz
  geometry = {5,
  planar isomer
   c        0.000000    0.000000   -0.662299
   h        0.000000    1.065430   -0.898167
   h       -0.922689   -0.532715   -0.898167
   h        0.922689   -0.532715   -0.898167
   f        0.000000    0.000000    0.740922
  end}
 {rhf;occ,6,2;wf,16,1,0;orbital,2130.2,ignore_error;orbprint,5;}
 {multi;occ,8,3;closed,3,0;wf,16,1,0;}
 {mrci;option,maxit=100;occ,8,3;closed,3,0;wf,16,1,0;}
 {multi;occ,8,3;closed,3,0;start,2130.2;wf,15,1,1;wf,15,2,1;}
 {mrci;option,maxit=100;occ,8,3;closed,3,0;wf,15,1,1;state,3}
 {mrci;option,maxit=100;occ,8,3;closed,3,0;wf,15,2,1;state,2}

but after doing rhf  and multi for a neutral ch3f mrci job has terminated by
giving the following error

here is the part of output of the terminated job.

 Molecular orbitals read from record     2140.2  Type=MCSCF/NATURAL (state
1.1)

 ?Error: MCSCF not converged. This error exit can be avoided using the
IGNORE_ERROR option on the ORBITAL directive

 GLOBAL ERROR fehler on processor   0

this termination has occurred in the mrci channel

could you please help me to get out of this.

thanks for ur help!!!!!!

Aleem.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://www.molpro.net/pipermail/molpro-user/attachments/20110325/8de9518c/attachment.html>