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Calculated Energies of Hydrogen Bonds

HF_cp_opt/aug-cc-pVTZ

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) -264.914039 -76.061203 -188.839145 0.013692 35.9  kJ mol-1
Vibrational zero point energy (cm-1) 12403 4592 7257 -554 -6.6  kJ mol-1
Total         29.3  kJ mol-1