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Calculated Energies of Hydrogen Bonds

CCSD(T)_cp/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) -230.861162 -76.244393 -154.610712 0.006057 15.9  kJ mol-1
Vibrational zero point energy (cm-1) 0 4550 0 4550 54.4  kJ mol-1
Total         70.3  kJ mol-1