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Calculated Energies of Hydrogen Bonds

CCSD(T)/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) -264.773416 -76.207850 -189.266813 -0.701247 -1841.1  kJ mol-1
Vibrational zero point energy (cm-1) 12092 4484 7092 -516 -6.2  kJ mol-1
Total         -1847.3  kJ mol-1