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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 1 H2O Water HCOOH Formic acid to O-C

Energy components

Dimer Donor Acceptor difference
Energy (hartrees) -264.911335 -76.061203 -188.839145 0.010987 28.8  kJ mol-1
Vibrational zero point energy (cm-1) 12282 4592 7257 -433 -5.2  kJ mol-1
Total         23.7  kJ mol-1