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Calculated Energies of Hydrogen Bonds

HF/daug-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) -264.914638 -76.061298 -188.839506 0.013833 36.3  kJ mol-1
Vibrational zero point energy (cm-1) 12318 4563 7210 -545 -6.5  kJ mol-1
Total         29.8  kJ mol-1