What is the keyword in NWCHEM to calculate reorganization energies
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Forum Vet
7:17:00 AM PST - Wed, Feb 6th 2019
MP2 6-31g(d,p) MP2 optimized hydroquinone has no warning for HESSIAN using GAMESS whose outer reorganization in another solvent is within 0.05 eV deviating from the previously mentioned article.