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Calculated Energies of Hydrogen Bonds

MP2/6-311G*

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) -265.574484 -76.234952 -189.321186 0.018346 48.2  kJ mol-1
Vibrational zero point energy (cm-1) 12315 4557 7075 -683 -8.2  kJ mol-1
Total         40.0  kJ mol-1