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Calculated Energies of Hydrogen Bonds

CCSD(T)/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) -265.563147 -189.293290 -76.244393 0.025464 66.9  kJ mol-1
Vibrational zero point energy (cm-1) 12592 7099 4550 -943 -11.3  kJ mol-1
Total         55.6  kJ mol-1