Input files (*.com), output files (*.log), formatted checkpoint files (*.fchk) and cube files (*.cube) can be opened using GaussView software. 
Input files, output files and text files can also be read using text editor software such as Notepad, Wordpad or vim.

The data in this dataset is as follows:

Optimisations - Input (*.com), output (*.log) and formatted checkpoint (.fchk) files. 
	The initial structure and calculation parameters are in the input files.
	The results from the calculation are listed in the output files
	The formatted checkpoint file also contains all of the results from the calculation, including molecular orbital data.

TDDFT - Input (*.com), output (*.log), formatted checkpoint (*.fchk) and cube (*.cube) files. 
	The initial structure and calculation parameters are in the input files.
	The results from the calculation are listed in the output files
	The formatted checkpoint file also contains all of the results from the calculation, including molecular orbital data.
	The cube (*.cube) files contains absolute overlap calculations for two orbitals involved in each TDDFT transition

Omega Tuning - Input (*.com) and output (*.log) files and a text file.
	The initial structure and calculation parameters are in the input files.
	The results from the calculation are listed in the output files
	The text file summarises the omega tuning steps where the omega value is optimised before it converged at 0.011
	The optimisation is based on tuning the omega value so that the ionisation potential is equal to the HOMO