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Calculated Energies of Hydrogen Bonds

CCSD(T)/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) -319.013247 -169.425385 -149.565352 0.022510 59.1  kJ mol-1
Vibrational zero point energy (cm-1) 0 9679 0 9679 115.8  kJ mol-1
Total         174.9  kJ mol-1