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Calculated Energies of Hydrogen Bonds

HF/Def2TZVPP

Dimer H Donor H Acceptor comment
H2OHCOOH Water formic acid dimer 1 H2O Water HCOOH Formic acid to O-C

Energy components

Dimer Donor Acceptor difference
Energy (hartrees) -264.919817 -76.063178 -188.845094 0.011545 30.3  kJ mol-1
Vibrational zero point energy (cm-1) 12249 4585 7239 -425 -5.1  kJ mol-1
Total         25.2  kJ mol-1