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Calculated Energies of Hydrogen Bonds

HF/TZVP

Dimer H Donor H Acceptor comment
H2OHCOOH Water formic acid dimer 2 H2O Water HCOOH Formic acid to O=C

Energy components

Dimer Donor Acceptor difference
Energy (hartrees) -264.781820 -76.056800 -188.828921 -0.103902 -272.8  kJ mol-1
Vibrational zero point energy (cm-1) 12573 4574 7253 -745 -8.9  kJ mol-1
Total         -281.7  kJ mol-1