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Calculated Energies of Hydrogen Bonds

MP2_cp_opt/6-31+G**

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) -265.513776 -76.233108 -189.267134 0.013533 35.5  kJ mol-1
Vibrational zero point energy (cm-1) 11973 4469 6978 -526 -6.3  kJ mol-1
Total         29.2  kJ mol-1