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Calculated Energies of Hydrogen Bonds

QCISD/cc-pVDZ

Dimer H Donor H Acceptor comment
H2OCH3OH water methanol dimer H2O Water CH3OH Methyl alcohol

Energy components

Dimer Donor Acceptor difference
Energy (hartrees) -191.663370 -76.238351 -115.413374 0.011645 30.6  kJ mol-1
Vibrational zero point energy (cm-1) 16205 4551 10909 -746 -8.9  kJ mol-1
Total         21.7  kJ mol-1