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Calculated Energies of Hydrogen Bonds

HF_cp_opt/3-21G

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

Energy components

Dimer Donor Acceptor difference
Energy (hartrees) -228.809022 -75.585960 -153.213208 0.009854 25.9  kJ mol-1
Vibrational zero point energy (cm-1) 22218 4327 17007 -884 -10.6  kJ mol-1
Total         15.3  kJ mol-1