In this repository:
Lecture/
Homework/
Submit HW before next Friday (1/31/2020) at 11:59 PM
Answer the following questions and the following calculations, and upload your file with your name in the title to github using a pull request
1.) Conduct a geometry optimization for methane using the following levels of theory:
i. HF/STO3G
ii. HF/3-21G*
iii. HF/3-21G**
iv. B3LYP/3-21G*
v. B3LYP/3-21G**
vi. B3LYP/DGDZVP
For each calculation report the total energy of the molecule in au and in kJ/mol
2.) Make plot of CPU time in seconds vs basis set size