Recently, people have emphasized on closed shell systems (e.g.CH41, H2O2-4, Ar5) that have been found to form a number of new intriguing molecular compounds with molecular hydrogen at accessible high pressures.They exhibit many interesting properties with relevance to many fields, for example, the research storage of hydrogen and the seeking of superconductor.Recent experiments have demonstrated that H2 and CH4 can form different proportions of molecular compounds.1 However, there is no theory research on CH4-H2 compounds.