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Calculated Energies of Hydrogen Bonds

CCSD(T)_cp/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) -230.761105 -76.207850 -154.549083 0.004172 11.0  kJ mol-1
Vibrational zero point energy (cm-1) 0 4484 17069 21553 257.8  kJ mol-1
Total         268.8  kJ mol-1