Posted by Y.F.Wang on November 13, 2008 at 03:34:50:
When I did geometry optimization about CH2Br-Br ,I utilized CASSCF+CASPT2,I wanted to optimize the second
root in the single state and in the 1 symmetry or 2 symmetry.But Molcas stoped at the RASSCF after several iterations .I need help.