Heat of formation of what substance? There are extensive tables in the CRC Handbook of Chemistry & Physics and Lange's Handbook of Chemistry and Perry & Chilton's Chemical Engineer's Handbook. Perry & Chilton has a section on estimating properties that can be adapted for this purpose.
Thank you Dudley, I am looking for method
to calculate HOF of strained hydrocarbons using gaussian.
The heat of formation is the formal reaction enthalpy for the synthesis of a compound from the elements in their most stable modification. So in principle you would have to calculate the absolute enthalpies of the elemental modifications and your compound and calculate the difference.
However, this may be impractical or hard to compare, especially when you would have to compare a solid (graphite in your case) with molecules. Therefore I would recommend you to calculate absolute energies of your molecule as well as molecules for which heats of formation are tabulated in the sources listed by Dudley J Benton , use these to calculate a reaction enthalpy and recalculate to your heat of formation.
Hint: the reference molecules do not have to be actual educts for the synthesis of your molecules, you just need to match the stoichiometry. It may, however, be helpful for the accuracy of your calculation to use reference molecules which already contain similar functional moieties as your target species.
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