I am trying to optimize a molecule at the BP86/aug-cc-pvdz level. After two optimization steps I get the following message: CalDSu: NOpAll= 0 NOpUse= 0 but NOpSet= 2. CalDSu cannot use requested symmetry level. Error termination via Lnk1e in /g94dir/g94/l502.exe. Can anyone tell me what this rather cryptic error message means? Or better yet, how to avoid it? :-) Robert Hinde Univ. of Tennessee rhinde ( ( at ) ) utk.edu