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Calculated Energies of Hydrogen Bonds

MP2_cp_opt/aug-cc-pVTZ

Dimer H Donor H Acceptor comment
H2OH2CO water formaldehyde dimer H2O Water H2CO Formaldehyde

Energy components

Dimer Donor Acceptor difference
Energy (hartrees) -190.653537 -76.328992 -114.316410 0.008134 21.4  kJ mol-1
Vibrational zero point energy (cm-1) 10761 4478 5611 -671 -8.0  kJ mol-1
Total         13.3  kJ mol-1