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Calculated Energies of Hydrogen Bonds

MP2_cp_opt/6-31G*

Dimer H Donor H Acceptor comment
HCONH2CN2H4 formamide aminomethanimine dimer CHONH2 formamide NHCHNH2 aminomethanimine both are donors

Energy components

Dimer Donor Acceptor difference
Energy (hartrees) -318.940245 -169.394473 -149.526017 0.019754 51.9  kJ mol-1
Vibrational zero point energy (cm-1) 22516 9544 12274 -698 -8.4  kJ mol-1
Total         43.5  kJ mol-1