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Calculated Energies of Hydrogen Bonds

HF_cp_opt/6-31G*

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

Energy components

Dimer Donor Acceptor difference
Energy (hartrees) -189.883453 -76.010747 -113.866331 0.006376 16.7  kJ mol-1
Vibrational zero point energy (cm-1) 10954 4531 5759 -664 -7.9  kJ mol-1
Total         8.8  kJ mol-1