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Calculated Energies of Hydrogen Bonds

MP2_cp_opt/6-31G*

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

Energy components

Dimer Donor Acceptor difference
Energy (hartrees) -190.371381 -76.196848 -114.167748 0.006786 17.8  kJ mol-1
Vibrational zero point energy (cm-1) 10888 4447 5647 -795 -9.5  kJ mol-1
Total         8.3  kJ mol-1