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.

- Re: NO result was gave when I did geometry optimization
**Valera***18:17:31 11/22/08*(1)- Re: NO result was gave when I did geometry optimization
**Y.F.Wang***15:33:22 11/24/08*(0)

- Re: NO result was gave when I did geometry optimization