NMR and chemical shifts in NWChem

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5:01:16 AM PST - Sat, Jan 9th 2016
Dear NWChem forum, As a work for my Masters Degree I have to study NMR spectra (S, Pt, N and P) of different compounds and discuss the shifts. My question is? can I use NWChem to simulate shifts other than 1H and 13C? Can someone point me an example on how to do it and how to extract the shifts from my output? Thanks in advance for any hint.

Henrique C. S. Junior
Inorganic Chemist - UFRRJ - Rio de Janeiro