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Calculated Energies of Hydrogen Bonds

MP2_cp_opt/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) -190.640406 -76.323142 -114.309400 0.007864 20.6  kJ mol-1
Vibrational zero point energy (cm-1) 10791 4510 5609 -672 -8.0  kJ mol-1
Total         12.6  kJ mol-1