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Calculated Energies of Hydrogen Bonds

HF/Def2TZVPP

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

Energy components

Dimer Donor Acceptor difference
Energy (hartrees) -230.202887 -76.063178 -154.133323 0.006385 16.8  kJ mol-1
Vibrational zero point energy (cm-1) 21970 4585 16867 -518 -6.2  kJ mol-1
Total         10.6  kJ mol-1