| 12:20:21 PM PDT - Wed, Jun 17th 2015 |
|
The Gaussian documentation gives 3 citations for the first row transition metal parameters of 6-311G: http://www.gaussian.com/g_tech/g_ur/m_basis_sets.htm
I would guess that nobody has integrated the additional parameters into 6-311G for submission to the BSE. Or perhaps there has been a combined submission that was rejected on the grounds that the parameters for first row transition metals came from work that predated the 6-311G basis set. The earliest citation regarding 6-311G in the BSE notes is from 1980 while the Wachters parameters for first row transition metals, ultimately incorporated into Gaussian's version of 6-311G, were published in 1970.
|