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Calculated Energies of Hydrogen Bonds

MP2/Def2TZVPP

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

Energy components

Dimer Donor Acceptor difference
Energy (hartrees) -190.643185 -76.323532 -114.310957 0.008696 22.8  kJ mol-1
Vibrational zero point energy (cm-1) 10802 4506 5629 -666 -8.0  kJ mol-1
Total         14.9  kJ mol-1