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Calculated Energies of Hydrogen Bonds

HF_cp/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) -189.981607 -76.061203 -113.915337 0.005068 13.3  kJ mol-1
Vibrational zero point energy (cm-1) 10871 4592 5729 -550 -6.6  kJ mol-1
Total         6.7  kJ mol-1