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Theoretical geometric parameters (bond lengths, bond angles and dihedral angle ) were calculated using ab initio Hartree Fock (HF) and density functional B3LYP method with 6-31+G (d, p) and 6-31++G(d,p) basis set. Thermodynamic parameters such as total energy,zero-point energy, rotational constants dipole moment, thermal energy, specific heat and entropy of 2-amino-4-methoxy-6-methyl pyrimidine are calculated. The plots of thermodynamic parameters have been given in following paper.

Comparision of Molecular Geometry Based On Ab Initio (HF) and DFT (B3LYP) and Thermodynamic Parameters of 2-Amino- 4-Methoxy-6-Methyl Pyrimidine