MOLPRO vs ACES II
Like to know the performance (general as well as critical) of the two.
We are mostly interested on CCSD-T geometry optimization and freq
calculations.
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Tapas Kar
Department of Chemistry
1245 Lincoln Dr. # 146F
Southern Illinois University
Carbondale, IL 62901-4409
Tel: 618-453-6485(Off)/6433(Lab)
Fax: 618-453-6408
email: tapaskar ( ( at ) ) siu.edu
tapas ( ( at ) ) risky3.thchem.siu.edu