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Calculated Energies of Hydrogen Bonds

HF/6-311+G(3df,2p)

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) -318.162393 -169.003223 -149.143148 0.016022 42.1  kJ mol-1
Vibrational zero point energy (cm-1) 22698 9716 12413 -569 -6.8  kJ mol-1
Total         35.3  kJ mol-1