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Calculated Energies of Hydrogen Bonds

HF_cp_opt/6-311+G(3df,2pd)

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

Energy components

Dimer Donor Acceptor difference
Energy (hartrees) -76.059067 -76.059070 -76.059070 -76.059073 -199693.1  kJ mol-1
Vibrational zero point energy (cm-1) 9821 4593 4593 -636 -7.6  kJ mol-1
Total         -199700.7  kJ mol-1