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Calculated Energies of Hydrogen Bonds

CCD/cc-pVDZ

Dimer H Donor H Acceptor comment
CH3OHH2O methanol water dimer CH3OH Methyl alcohol H2O Water

Energy components

Dimer Donor Acceptor difference
Energy (hartrees) -191.660322 -115.411124 -76.237446 0.011752 30.9  kJ mol-1
Vibrational zero point energy (cm-1) 16098 10927 4561 -611 -7.3  kJ mol-1
Total         23.5  kJ mol-1