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Calculated Energies of Hydrogen Bonds

HF/6-31+G**

Dimer H Donor H Acceptor comment
HCOOHH2O Formic acid water dimer HCOOH Formic acid H2O Water

Energy components

Dimer Donor Acceptor difference
Energy (hartrees) -264.822963 -188.768419 -76.031231 0.023313 61.2  kJ mol-1
Vibrational zero point energy (cm-1) 12650 7251 4588 -812 -9.7  kJ mol-1
Total         51.5  kJ mol-1