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Calculated Energies of Hydrogen Bonds

PBEPBE/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) -319.584396 -169.718749 -149.840475 0.025172 66.1  kJ mol-1
Vibrational zero point energy (cm-1) 22428 9583 12254 -591 -7.1  kJ mol-1
Total         59.0  kJ mol-1