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Calculated Energies of Hydrogen Bonds

HF/Def2TZVPP

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) -318.177065 -169.011324 -149.149579 0.016162 42.4  kJ mol-1
Vibrational zero point energy (cm-1) 22638 9683 12399 -555 -6.6  kJ mol-1
Total         35.8  kJ mol-1