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Calculated Energies of Hydrogen Bonds

HF_cp_opt/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) -191.091023 -76.031231 -115.052397 0.007395 19.4  kJ mol-1
Vibrational zero point energy (cm-1) 0 4588 10915 15503 185.5  kJ mol-1
Total         204.9  kJ mol-1