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Calculated Energies of Hydrogen Bonds

MP2_cp_opt/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) -265.522696 -189.267134 -76.233108 0.022453 59.0  kJ mol-1
Vibrational zero point energy (cm-1) 12362 6978 4469 -915 -11.0  kJ mol-1
Total         48.0  kJ mol-1