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Calculated Energies of Hydrogen Bonds

HF_cp_opt/aug-cc-pVTZ

Dimer H Donor H Acceptor comment
H2OCH3OH water methanol dimer H2O Water CH3OH Methyl alcohol

Energy components

Dimer Donor Acceptor difference
Energy (hartrees) -191.160461 -76.061203 -115.093087 0.006171 16.2  kJ mol-1
Vibrational zero point energy (cm-1) 16046 4592 10918 -536 -6.4  kJ mol-1
Total         9.8  kJ mol-1