Hi,
I'm trying to get the BSSE corrected mp2 interaction energy of 2 monomers(N--H and O--C). The geometry I got is:
geometry units angstrom
N 2.739 24.753 58.631
H 2.603 25.170 59.371
O 2.533 26.305 61.093
C 2.375 27.069 62.059
end
As a reference I was trying to use the link(example there showing for Ar dimer input directive, but seems not helpful in my geometry format) http://nwchemgit.github.io/index.php/Release65:Top-level
So, I'm not being able to imply it for my geometry.
Little help for building the code would be highly appreciated.
thank you.
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