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NRLMOL basis set

This repository contains basis set used in the NRLMOL and FLOSIC software.

nrlmol.gbs file contains the identical coefficients used in the NRLMOL ISYMGEN file. Extra basis is indicated with "Extrabasis" string next to the orbital type string.

nrlmol_coefadjusted.gbs file constains contracted Gaussian coefficients adjusted by s-type: alpha**(-3/4), p-type: alpha**(-5/4), and d-type: alpha**(-7/4).

Cite as D. Porezag and M. R. Pederson,Phys. Rev. A, 1999,60, 2840-2847.

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