The gold atom was treated with 19 explicit electrons using the
(SBKJC)85 effective core potential (ECP) with scalar relativistic
corrections augmented with a 3f/2g set of polarization functions
with f function exponents of 2.00, 0.84 and 0.31, and g function
exponents of 1.90 and 0.69, and one set of s and p diffuse
functions with exponents of 0.01. Spherical Gaussian functions
were used.
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