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Calculated Energies of Hydrogen Bonds

MP2_cp/3-21G

Dimer H Donor H Acceptor comment
H2OHCOOH Water formic acid dimer 2 H2O Water HCOOH Formic acid to O=C

Energy components

Dimer Donor Acceptor difference
Energy (hartrees) -263.743982 -75.707801 -188.024157 0.012023 31.6  kJ mol-1
Vibrational zero point energy (cm-1) 12118 4243 6818 -1058 -12.7  kJ mol-1
Total         18.9  kJ mol-1