Table 8: Calculation of energy parameters by using semi empirical methods (PM3) units Kcal/mol.

SamsSaesSae
LigandComplexLigandComplexLigandComplex

Total energy 60163.86 188663.60 60889.50 195558.20 64338.70 181974.60
Binding energy* 2374.54 5323.99 2497.23 5882.57 2778.40 5644.11
Heat of formation 120.87 536.13 139.35 544.51 145.43 425.18

* Binding energy is the energy required to release an electron from its atomic or molecular orbital.