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Calculated Energies of Hydrogen Bonds

HF/TZVP

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) -264.778751 -76.056800 -188.828921 -0.106970 -280.9  kJ mol-1
Vibrational zero point energy (cm-1) 12427 4574 7253 -600 -7.2  kJ mol-1
Total         -288.0  kJ mol-1