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Calculated Energies of Hydrogen Bonds

MP2/Def2TZVPP

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) -265.807050 -76.323532 -189.470707 0.012811 33.6  kJ mol-1
Vibrational zero point energy (cm-1) 12043 4506 7036 -500 -6.0  kJ mol-1
Total         27.7  kJ mol-1