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Calculated Energies of Hydrogen Bonds

MP2/TZVP

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) -265.653683 -76.276070 -189.363664 0.013948 36.6  kJ mol-1
Vibrational zero point energy (cm-1) 12046 4476 7025 -546 -6.5  kJ mol-1
Total         30.1  kJ mol-1