Why does nwchem give different results from Molpro does?


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4:44:19 PM PDT - Mon, Jul 28th 2014
I am dealing with CCSD(T) calculation for some molecules.
For some reason, I ran with both Nwchem and Molpro codes for a molecule.

While I got so different results for the same molecule with the same geometry.

Could some one tell me the reason?
By the way, I am using molpro 2012 and nwchem 6.3.

Actually, I didn't see the difference for what I did before.

Thanks a lot.

Zongtang