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Calculated Energies of Hydrogen Bonds

CCSD(T)/6-31+G**

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

Energy components

Dimer Donor Acceptor difference
Energy (hartrees) -191.089611 -76.244393 -115.423723 -0.578505 -1518.9  kJ mol-1
Vibrational zero point energy (cm-1) 0 4550 10992 15542 185.9  kJ mol-1
Total         -1332.9  kJ mol-1