1.Use Gaussian or WebMO to calculate the Electron Affinity of Helium、Neon、Argon, by using B3LYP、MP2 and M062X theoretical methods with cc-pVTZ、aug-cc-pVTZ、d-aug-cc-pVTZ basis set, and do some simple statistical analysis.(check your unit、analysis tools)

Electron Affinity exp. value (Unit: kcal/mol) 

Exp values ref: Wikipedia

He 12.0

Ne 28.7

Ar 22.9

2.Try to add an additional set of diffuse functions for the s orbital of He, and the s and p orbitals of Ne and Ar. ( in the 6-31G basis set )

Unit: kcal/mol

3.Try to use Gaussian or WebMO to optimize the H₃⁺ molecule and calculate the linear dissociation energy according to the formula provided in the PDF lecture.

Linear dissociation energy= energy of products - energy of reactants

Unit of reactants and products: hartrees