We examine the enclathration of CHF3 and C2F6 molecules in gas hydrate lattices.
Pure CHF3 forms structure I hydrate, whereas pure C2F6 forms structure II hydrate.
CHF3 is enclathrated in both small (512) and large (51262) cages of structure I hydrate.
C2F6 is captured only in the large (51264) cages of structure II hydrate.