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Calculated Energies of Hydrogen Bonds

MP2_cp/aug-cc-pVTZ

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

Energy components

Dimer Donor Acceptor difference
Energy (hartrees) -231.075047 -76.328992 -154.737897 0.008157 21.4  kJ mol-1
Vibrational zero point energy (cm-1) 21977 4478 16889 -610 -7.3  kJ mol-1
Total         14.1  kJ mol-1