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Calculated Energies of Hydrogen Bonds

HF/daug-cc-pVTZ

Dimer H Donor H Acceptor comment
H2OH2O water dimer H2O Water H2O Water

Energy components

Dimer Donor Acceptor difference
Energy (hartrees) -152.128614 -76.061298 -76.061298 0.006017 15.8  kJ mol-1
Vibrational zero point energy (cm-1) 9736 4563 4563 -609 -7.3  kJ mol-1
Total         8.5  kJ mol-1