Files in run_gaussian directory are for the automation of generation of QM calculation input files and job submission files, grouping of files with same names, and QM data tabulation. Files in Csearch directory are some functions I used while trying to come up with ways to explain the conformaitonal searching phase of the project for my Honours seminar. Files in visualG directory are either for plotting of energy profiles for Cross-Conjugation project (a side project) or the linear regression analysis of certain molecular properties. The data are stored in plot_config.py while the plotting codes are mainly written in plot_fig.py. Figures generated from the analysis on data generated using Combination G and I were stored in the respective directories. calculation.py was used for interconversion between kinetics and thermodynamics parameters during the early phase of the project.