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Calculated Energies of Hydrogen Bonds

HF/TZVP

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 -76.056800 -154.123003 -0.095848 -251.6  kJ mol-1
Vibrational zero point energy (cm-1) 22337 4574 16937 -826 -9.9  kJ mol-1
Total         -261.5  kJ mol-1