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Calculated Energies of Hydrogen Bonds

HF/TZVP

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

Energy components

Dimer Donor Acceptor difference
Energy (hartrees) -189.974163 -76.056800 -113.910501 0.006862 18.0  kJ mol-1
Vibrational zero point energy (cm-1) 10898 4574 5750 -574 -6.9  kJ mol-1
Total         11.2  kJ mol-1