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Calculated Energies of Hydrogen Bonds

MP2/3-21G

Dimer H Donor H Acceptor comment
H2OH2CO water formaldehyde dimer H2O Water H2CO Formaldehyde

Energy components

Dimer Donor Acceptor difference
Energy (hartrees) -189.164525 -75.707801 -113.439860 0.016863 44.3  kJ mol-1
Vibrational zero point energy (cm-1) 10961 4243 5633 -1086 -13.0  kJ mol-1
Total         31.3  kJ mol-1