•Please use ChatGPT to explore a thematic series of questions within the scope of computational chemistry and follow up with further inquiries about any unfamiliar terms  ( except homework )

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•Calculate the structures and atomization energies (AE) of XH_n (X = H~Ne) by using B3LYP、MP2 theoretical methods with 6-31+G(d,p)、aug-cc-pVTZ then compare with the experimental values.

• Conclusion: Except for water, the atomization energy trends for other molecules are quite similar.