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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 1 H2O Water HCOOH Formic acid to O-C

Energy components

Dimer Donor Acceptor difference
Energy (hartrees) -265.443396 -76.196848 -189.232379 0.014169 37.2  kJ mol-1
Vibrational zero point energy (cm-1) 12076 4447 6998 -631 -7.6  kJ mol-1
Total         29.6  kJ mol-1