Re:G98 QCISD/MP4 calculations

["Olga Dmitrenko" <odmitr=at=UDel.Edu>]

Dear Jim,
 We've had similar problems before with G2 calculations, in particular with
 QCISD and MP2/6-311+G(3df,2p) steps. Sometimes I had to do stepwise
 calculations and using G2
 formulas from the original papers to calculate G2 energies and enthalpies.
 What was helpful, we used maxdisk=1250 000 000 and large memory (%mem=1000MB
 - you have it).
 With best regards,
 Olga
 * Dr. Olga Dmitrenko
 * Department of Chemistry and Biochemistry
 * University of Delaware, Newark
 * Delaware 19716, USA
 *Tel: (302) 831-0887
 * Email: odmitr=at=udel.edu