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Calculated Energies of Hydrogen Bonds

B3LYP/TZVP

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

Energy components

Dimer Donor Acceptor difference
Energy (hartrees) -191.017907 -76.460622 -114.549254 0.008031 21.1  kJ mol-1
Vibrational zero point energy (cm-1) 10776 4487 5637 -651 -7.8  kJ mol-1
Total         13.3  kJ mol-1