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Calculated Energies of Hydrogen Bonds

HF_cp_opt/6-31+G**

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) -264.815895 -76.031231 -188.768419 0.016245 42.7  kJ mol-1
Vibrational zero point energy (cm-1) 12446 4588 7251 -607 -7.3  kJ mol-1
Total         35.4  kJ mol-1