Solntsev Pasha
solntsev@univ.kiev.ua
Please, check http://classic.chem.msu.su/cgi-bin/ceilidh.exe/gran/gamess/forum/?C3d4763b0bbHW-6201-1394+00.htm
On Tue Nov 23 '10 5:36pm, Jonas Baltrusaitis wrote
--------------------------------------------------
>I am trying to perform single point MCSCF at C2h structure. Following a well known recipe I try MCSCF from cisprop guess but I am getting:
> INTEGRAL TRANSFORMATION CANNOT ASSIGN A DEFINITE ORBITAL SYMMETRY TO MO 674
>This is unusual as cisprop and cisnos ended up with all of the orbitals assigned to a specific symmetry. Are there keywords to decrease the tolerance or the problem is elsewhere?
>Jonas
>