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Calculated Energies of Hydrogen Bonds

HF_cp_opt/6-31+G**

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) -318.063186 -168.948421 -149.097938 0.016828 44.2  kJ mol-1
Vibrational zero point energy (cm-1) 22732 9743 12408 -581 -6.9  kJ mol-1
Total         37.2  kJ mol-1