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Calculated Energies of Hydrogen Bonds

HF/TZVP

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) -318.151436 -168.997761 -149.136512 0.017163 45.1  kJ mol-1
Vibrational zero point energy (cm-1) 22726 9717 12430 -580 -6.9  kJ mol-1
Total         38.1  kJ mol-1