Calculations of Some Physical Properties for Water Molecule Using Monti – Carlo Simulation in HyperChem Program

In this work some of physical properties for the water molecule were calculated the properties such as dipole moment for different angles in H–O–H bond and its length, when the molecule has been isolated (liquid, solid) or had been with solvents, by semi-empirical quantum methods PM3, Ab initio using Monte – Carlo method in Hyperchem program. The results were in good agreements with the published theoretical and experimental data.