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Calculated Energies of Hydrogen Bonds

PBEPBEultrafine_cp_opt/6-31+G**

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

Energy components

Dimer Donor Acceptor difference
Energy (hartrees) -231.195706 -76.348614 -154.837799 0.009293 24.4  kJ mol-1
Vibrational zero point energy (cm-1) 21996 4509 16813 -674 -8.1  kJ mol-1
Total         16.3  kJ mol-1