•Find the transition state and calculate the barrier height (ΔV≠) for the following reaction and compare with the previous assignment.

reaction ：H2 + H → H + H2

method：MP2/6-31+G(d,p)

Tip: When you calculate ts, remember to calculate irc.

1 hartree = 627.5095 kcal/mol（資料來源：https://lab409chem.ccu.edu.tw/var/file/80/1080/img/866/qchem.pdf）

Sparatan   Gaussian 

Irc

•Find the transition state and calculate the barrier height (ΔV≠) for the following reaction.

reaction ：CH4 +OH․→ H2O + CH3․

method：MP2/6-31+G(d,p)

1 hartree = 627.5095 kcal/mol（資料來源：https://lab409chem.ccu.edu.tw/var/file/80/1080/img/866/qchem.pdf）

•Calculate all the exercises in Chapter 11 of the Spartan 20 Tutorial and User's Guide.

CH4 +OH․→ H2O + CH3

https://drive.google.com/drive/folders/1jpsjaOmktBgyBlKiRO8J62krSfjf5JuV?usp=share_link