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Calculated Energies of Hydrogen Bonds

HF_cp_opt/6-31+G**

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

Energy components

Dimer Donor Acceptor difference
Energy (hartrees) -76.031227 -76.031231 -76.031231 -76.031234 -199620.0  kJ mol-1
Vibrational zero point energy (cm-1) 9869 4588 4588 -692 -8.3  kJ mol-1
Total         -199628.3  kJ mol-1