A brief description of the ZIP archives:
===========================================

manuscript
	electron spreadsheets for metrics, electronics, and energetic analysis
        EndNote bibliographic library

BSSE counterpoise
	demonstrative example for estimation of the basis set superposition error
        using the most challenging level of theory (CCSD(T)) with manual set up of each 
        counterpoise calculation step

thermochemistry
        unedited output files for MN15+ calculations used to derive the most adequate
        formalism to connect molecular calculated and macroscopic measured methane
        binding energies

geometric structures
        Xmol XYZ files of all structures discussed in the manuscript

electronic structures
        cube files generated for spin density contour plots and electron density
        difference contour plots

Additional information available, please feel free to contact us at
		 szilagyi@montana.edu 		or		 nstadie@montana.edu