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Calculated Energies of Hydrogen Bonds

PBEPBE/aug-cc-pVTZ

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

Energy components

Dimer Donor Acceptor difference
Energy (hartrees) -190.805107 -76.380342 -114.417149 0.007617 20.0  kJ mol-1
Vibrational zero point energy (cm-1) 10748 4516 5580 -653 -7.8  kJ mol-1
Total         12.2  kJ mol-1