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Calculated Energies of Hydrogen Bonds

MP2_cp/6-31+G**

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) -265.514538 -76.233108 -189.267134 0.014295 37.5  kJ mol-1
Vibrational zero point energy (cm-1) 12079 4469 6978 -632 -7.6  kJ mol-1
Total         30.0  kJ mol-1