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Calculated Energies of Hydrogen Bonds

HF_cp_opt/aug-cc-pVTZ

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

Energy components

Dimer Donor Acceptor difference
Energy (hartrees) -230.197004 -76.061203 -154.129764 0.006037 15.9  kJ mol-1
Vibrational zero point energy (cm-1) 22041 4592 16924 -525 -6.3  kJ mol-1
Total         9.6  kJ mol-1