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Calculated Energies of Hydrogen Bonds

HF/STO-3G

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

Energy components

Dimer Donor Acceptor difference
Energy (hartrees) -187.325577 -74.965901 -112.354347 0.005329 14.0  kJ mol-1
Vibrational zero point energy (cm-1) 10508 4369 5588 -551 -6.6  kJ mol-1
Total         7.4  kJ mol-1