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Calculated Energies of Hydrogen Bonds

HF/6-31G*

Dimer H Donor H Acceptor comment
H2OCH3OCH3 water dimethylether dimer H2O Water CH3OCH3 Dimethyl ether

Energy components

Dimer Donor Acceptor difference
Energy (hartrees) -230.083956 -76.010747 -154.064745 0.008464 22.2  kJ mol-1
Vibrational zero point energy (cm-1) 22090 4531 16987 -571 -6.8  kJ mol-1
Total         15.4  kJ mol-1