Posted by Valerij Gurin on February 16, 2005 at 15:09:57:
Using the DEmo version of Molcas I have received in
the SEWARD output for HCl molecule (6-31G) the table with
1s 2s and 2p functions for Cl but not 3s and 3p ones.
Is this error due to limitations of the demo or any mistake
in input can be? For HF molecule all results in SEWARD-SCF-RASSCF
runs were quite reasonable.