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Calculated Energies of Hydrogen Bonds

HF_cp_opt/aug-cc-pVTZ

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) -318.169066 -169.006720 -149.146639 0.015707 41.2  kJ mol-1
Vibrational zero point energy (cm-1) 22723 9719 12431 -574 -6.9  kJ mol-1
Total         34.4  kJ mol-1