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Calculated Energies of Hydrogen Bonds

HF_cp_opt/aug-cc-pVTZ

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

Energy components

Dimer Donor Acceptor difference
Energy (hartrees) -76.061200 -76.061203 -76.061203 -76.061206 -199698.7  kJ mol-1
Vibrational zero point energy (cm-1) 9793 4592 4592 -608 -7.3  kJ mol-1
Total         -199705.9  kJ mol-1