SPARTAN program metalation

The PM3 method has been extended by the developers of the SPARTAN program (Section 15.15) to include d orbitals for many transition metals, giving the method PM3(tm), which is available in SPARTAN (www.wavefun.com). 

Many popular semiempirical methods are based on the original MNDO method. The most prominent of these are Austin Model 1 (AMI) by Dewar et al. [73] and Parametric Method 3 (PM3) by Stewart [74], These three methods represent the semiempirical standard for the calculation of organic molecules and are included in popular program packages such as Gaussian [78], CERIUS [79], SPARTAN [80], MOP AC [81], and AMPAC [82], Recently, AM 1 and PM3 have also been extended for the treatment of transition metal compounds [75-77], In principle, they only differ in the parameterization and in the empirical function fAB [Eq. (42)]. 

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