Time stamp: Thu Mar 11 08:55:57 2021 HoF Errors: < 2 kcal/mol   < 5 kcal/mol   < 10 kcal/mol   < 20 kcal/mol   < 50 kcal/mol.   Geometries: 0: good, 100: bad

Comparison of Structures of 1 Argon-containing Solids predicted using PM7 and PM6-D3H4 with X-Ray

(All solids - Periodic Table - Home - Accuracy - Manual)

Average unsigned error in PM7 HoF: 0.46 kcal/mol, for 1 solids
Average unsigned error in PM6-D3H4 HoF: 0.81 kcal/mol, for 1 solids 

     #     GUI   Heat of formation (Kcal/formula unit) Geometry        Species
                    Ref.        PM7     PM6-D3H4      PM7 PM6-D3H4
   663  (JSmol)     0.0        -0.5       -0.8       29.3   25.8   Argon (Ar) (ICSD 77918)