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Calculated Energies of Hydrogen Bonds

HF/daug-cc-pVTZ

Dimer H Donor H Acceptor comment
H2OCH3OCH3 water dimethylether dimer H2O Water CH3OCH3 Dimethyl ether

Energy components

Dimer Donor Acceptor difference
Energy (hartrees) -230.197470 -76.061298 -154.129953 0.006218 16.3  kJ mol-1
Vibrational zero point energy (cm-1) 21902 4563 16816 -522 -6.2  kJ mol-1
Total         10.1  kJ mol-1