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Calculated Energies of Hydrogen Bonds

HF/6-311+G(3df,2p)

Dimer H Donor H Acceptor comment
H2OHCOOH Water formic acid dimer 1 H2O Water HCOOH Formic acid to O-C

Energy components

Dimer Donor Acceptor difference
Energy (hartrees) -264.904673 -76.058293 -188.835015 0.011365 29.8  kJ mol-1
Vibrational zero point energy (cm-1) 12316 4610 7263 -443 -5.3  kJ mol-1
Total         24.5  kJ mol-1