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Calculated Energies of Hydrogen Bonds

HF/daug-cc-pVTZ

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

Energy components

Dimer Donor Acceptor difference
Energy (hartrees) -189.982830 -76.061298 -113.915539 0.005993 15.7  kJ mol-1
Vibrational zero point energy (cm-1) 10795 4563 5692 -540 -6.5  kJ mol-1
Total         9.3  kJ mol-1