The performed investigations of NMR spectra inherent to intercalates in HXGaSe crystals at various temperatures, hydrogen concentrations and geometry of external magnetic field B enable us to refine the model of hydrogen introduction to layered crystals and offer a scheme of splitting characterizing the level of H2 molecules in these crystals under different conditions. It is shown, that in absence of an external magnetic field B molecular ortho-hydrogen as the diamagnetic gas (owing to symmetry of a crystal and nearest nuclear environment) forms in GaSe crystal three spin sub-lattices in which molecular spins located mutually-perpendicularly to each other and form right-hand rectangular system of coordinates. At B = 0 the total projection of two spins inside layer is located against an optical axis C and spin between layers – along axis C. It is offered the scheme of 1D and 3D QW’s that is capable to explain localization of hydrogen molecules in layered crystals as well as mechanism of their deintercalation from these crystals with participation of totally symmetrical half-layer lattice A 1 /1-vibration taking part in scattering of H2 molecules and in formation of oscillating parameters of potential barriers.