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Calculated Energies of Hydrogen Bonds

CCSD(T)_cp/6-31+G**

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) -265.550636 -76.244393 -189.293290 0.012953 34.0  kJ mol-1
Vibrational zero point energy (cm-1) 0 4550 7099 11649 139.3  kJ mol-1
Total         173.4  kJ mol-1