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Calculated Energies of Hydrogen Bonds

MP2/cc-pV(T+d)Z

Dimer H Donor H Acceptor comment
H2OH2O water dimer H2O Water H2O Water

Energy components

Dimer Donor Acceptor difference
Energy (hartrees) -152.647012 -76.318658 -76.318658 0.009696 25.5  kJ mol-1
Vibrational zero point energy (cm-1) 0 4517 4517 9035 108.1  kJ mol-1
Total         133.5  kJ mol-1