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Calculated Energies of Hydrogen Bonds

MP2_cp_opt/6-31G*

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) -265.445426 -76.196848 -189.232379 0.016200 42.5  kJ mol-1
Vibrational zero point energy (cm-1) 12231 4447 6998 -786 -9.4  kJ mol-1
Total         33.1  kJ mol-1