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Calculated Energies of Hydrogen Bonds

HF/Def2TZVPP

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

Energy components

Dimer Donor Acceptor difference
Energy (hartrees) -189.988063 -76.063178 -113.918646 0.006239 16.4  kJ mol-1
Vibrational zero point energy (cm-1) 10844 4585 5711 -548 -6.6  kJ mol-1
Total         9.8  kJ mol-1