Generating and Visualizing Molecular Orbitals using ORCA & Avogadro software

This video demonstrate How to generate molecular orbitals of Hydrogen and Nitrogen molecule by ORCA and visualization of molecular orbitals using Avogadro software. Molecular Orbital theory was given by R S Mulliken to explain the nature of bonding in the molecules of Covalent compounds. MO theory assumes that the valence electrons of the atoms within a molecule become the valence electrons of the entire molecule. Molecular orbitals are constructed by taking linear combinations of the valence orbitals of atoms within the molecule. The atomic orbitals of nearly equal energy and appropriate symmetry combine to give equal number of molecular orbitals. MO of lower energy is called bonding molecular orbitals while that of higher energy as antibonding Mos.