[molpro-user] Negative denominators were detected

[behnam nikoobakht]

Dear all, 

I am doing RS2C caclaution. I have problem with RS2C method.  this is my input:
***,test
 gprint,basis
 gexpec,dm,sm,qm
                                                                                 !
 basis={C=cc-pCVTZ;H=cc-pVTZ}
 geometry={
 angstrom
...10 atoms
} hf
 wf,29,4,1;
 orbprint,50
 {multi;occ,7,2,6,2
 closed,5,0,5,0
 wf,29,4,1;wf,29,2,1;wf,29,1,1;state,3;wf,29,3,1;state,2
 natorb,ci,print;
 thresh,0.03
 orbprint,20} {rs2c,nocheck
 wf,29,4,1;
 orbital,ignore_error;
 state,1,1
 thresh,printci=0.03
 print,ref=0,ref=1}
 {rs2c,nocheck,shift=0.20
 wf,29,2,1;
 orbital,ignore_error;
 state,1,1
 thresh,printci=0.03
 print,ref=0,ref=1}
 {rs2c,nocheck,shift=0.20
 wf,29,1,1;
 orbital,ignore_error;
 state,3,1,2,3
 thresh,printci=0.03
 print,ref=0,ref=1}
 {rs2c,nocheck,shift=0.20
 wf,29,3,1;
 orbital,ignore_error;
 state,2,1,2
 thresh,printci=0.03
 print,ref=0,ref=1}
----Then I have the following error:
 Negative denominators were detected.
 Inspect the output and use a level shift to remove them.
 In alternative, if negative denominators only
 appeared in spaces S0 and/or I0, the hybrid
 functional CIPT2 (MRCI+CASPT2) can be used.
Is there any suggestion?
Thank you very much in advance 
Behnam
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