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Calculated Energies of Hydrogen Bonds

HF_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) -318.023479 -168.930703 -149.076065 0.016711 43.9  kJ mol-1
Vibrational zero point energy (cm-1) 22757 9658 12428 -671 -8.0  kJ mol-1
Total         35.8  kJ mol-1