first time commit
added the ability to generate a molecule object from xyz file.
also added an exaple xyz file.
for the Molecule object, added the ability of printing xyz coordinate data in Angstrom, as well as in Bohr units
Added the functionality To the molden parser, of obtaining the last energy of a geometry optimization.
Added "Move atoms" functionality to Molecule object
some minor corrections to Atoms object for bohr units.
add improvements for writing to molden format, to include vibrations out put. Some more additions to the hindered rotations analysis - but that work is far from over.