Subject: CCL: Looking for program

From: [email-masked] (Thomas Novak)
Date: Wed, 21 May 1997 18:32:53 --100

Dear colleagues,

in order to examine the reliability of the DFT-treatment, I've been
looking for the most efficient way of performing some calculations
on our catalyst models with highly sophisticated single reference 
post-HF methods, such as CCSD[T], CPF or MCPF.
A system under investigation is f.i. cationic NiC9H15, consisting of
86 electrons within 246 basis functions. 
Which commercial program system should best be suitable of doing this large 
job regarding efficient consumption of cpu-time and storage space and
possible restart facilities ?
Any suggestions are highly appreciated.

-- Thomas