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Calculated Energies of Hydrogen Bonds

MP2/6-311+G(3df,2pd)

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

Energy components

Dimer Donor Acceptor difference
Energy (hartrees) -190.641457 -76.323142 -114.309400 0.008915 23.4  kJ mol-1
Vibrational zero point energy (cm-1) 10791 4510 5609 -672 -8.0  kJ mol-1
Total         15.4  kJ mol-1