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Calculated Energies of Hydrogen Bonds

HF_cp/6-31G*

Dimer H Donor H Acceptor comment
H2OHCOOH Water formic acid dimer 2 H2O Water HCOOH Formic acid to O=C

Energy components

Dimer Donor Acceptor difference
Energy (hartrees) -264.779301 -76.010747 -188.752546 0.016009 42.0  kJ mol-1
Vibrational zero point energy (cm-1) 12433 4531 7225 -676 -8.1  kJ mol-1
Total         33.9  kJ mol-1