PM6 

Description

The PM6 method will be used for calculation. ^[56] See Table 3.2, “Elemental Parameter Sets for all methods (except MINDO3)” for a complete listing of the 70 elements that are supported by this method.

This method does include three special correction terms in addition to the standard parameters. The first term is a correction for carbon triple bonds. The second term is added to correct secondary and tertiary amines. The third is improve the model chemistry for H₂. These correction terms can be turned off by including the keyword NC-PM6.

See also:

AM1, AM1-D3H4, AM1-FS2, MINDO3, MNDO, MNDOC, MNDOD, NC-PM6, PM3, PM3-D3H4, PM6-D3H4, RM1, RM1-D3H4, SAM1, SAM1D