Apparent bug in MP3 portion of MP4 calculation
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Forum Vet
11:05:40 PM PST - Tue, Dec 1st 2015
Dear Jhammond
Sorry, I did not notice you used bohr as the unit, now the results from GAMESS agree well
with those from NWCHEM6.6.
But my molecule still has a bit large discrepancy, i.e., 0.018 hartrees.
Any suggestions?