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Calculated Energies of Hydrogen Bonds

MP2/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) -319.362785 -169.611482 -149.727475 0.023829 62.6  kJ mol-1
Vibrational zero point energy (cm-1) 22355 9514 12247 -594 -7.1  kJ mol-1
Total         55.5  kJ mol-1