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Calculated Energies of Hydrogen Bonds

HF_cp_opt/6-31G*

Dimer H Donor H Acceptor comment
H2OHCOOH Water formic acid dimer 1 H2O Water HCOOH Formic acid to O-C

Energy components

Dimer Donor Acceptor difference
Energy (hartrees) -264.777211 -76.010747 -188.752546 0.013918 36.5  kJ mol-1
Vibrational zero point energy (cm-1) 12289 4531 7225 -533 -6.4  kJ mol-1
Total         30.2  kJ mol-1