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Calculated Energies of Hydrogen Bonds

MP2/STO-3G

Dimer H Donor H Acceptor comment
NH3NH3 Ammonia Dimer NH3 Ammonia NH3 Ammonia

Energy components

Dimer Donor Acceptor difference
Energy (hartrees) -111.021516 -55.507071 -55.507071 0.007373 19.4  kJ mol-1
Vibrational zero point energy (cm-1) 15130 7240 7240 -651 -7.8  kJ mol-1
Total         11.6  kJ mol-1