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Calculated Energies of Hydrogen Bonds

HF/3-21G

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) -316.257402 -167.984900 -148.237766 0.034735 91.2  kJ mol-1
Vibrational zero point energy (cm-1) 23088 9859 12331 -898 -10.7  kJ mol-1
Total         80.5  kJ mol-1