[molpro-user] How to run MS-MR-CASPT2 by mixing two different irreduicible representation

[der Anbeter des Geistes]

Dear Molpro user'sI want to try a MS-MR-CASPT2 with two states with different irreduicible representation, however, the program seems to mixing a ground and a excited state of symmetry 1 (in the output, the programe suggest that "RESULTS FOR STATE 2.1").
In fact, I want to mix 1.1 state and 1.2 state. The molecule has C2v symmetry.
The output file in the appendix.
Thanks!



this is my input"
 {multi;
 start,2140.2,IGNORE ERROR;
  maxit,40;
 occ,13,6,9,3;
 closed,10,4,7,2;
 frozen,1,0,1,0;
 wf,48,1,2;
 state,1;
 wf,48,2,2;
 state,1;
 CANONICAL,2141.2;
 orbprint,10;
 }
 
 {rs2,MIX=2,XMS=1;
 WF;
 state,2;
 }
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