National Institute of Standards and Technology
Computational Chemistry Comparison and Benchmark DataBase
Release 18October 2016
NIST Standard Reference Database 101
IIExperimental data
IIICalculated data
IVData comparisons
VCost comparisons
VIInput and output files
VIITutorials and Units
VIIILinks to other sites
XOlder CCCBDB versions
XIII Vibrations
XIVReaction data
XVEntropy data
XVIBibliographic data
XVIIIon data
XVIIIBad calculations
XIXIndex of properties
XXH-bond dimers

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Bond Energies of Hydrogen-bonded Dimers

Click on an entry to find the bond energies of the dimers.
Dimer H Donor H Acceptor comment
bond energy H2OH2O water dimer H2O Water H2O Water  
bond energy NH3NH3 Ammonia Dimer NH3 Ammonia NH3 Ammonia  
bond energy H2ONH3 Water Ammonia Dimer H2O Water NH3 Ammonia  
bond energy H2OH2CO water formaldehyde dimer H2O Water H2CO Formaldehyde  
bond energy H2OCH3OH water methanol dimer H2O Water CH3OH Methyl alcohol  
bond energy CH3OHH2O methanol water dimer CH3OH Methyl alcohol H2O Water  
bond energy HCOOHH2O Formic acid water dimer HCOOH Formic acid H2O Water  
bond energy H2OHCOOH Water formic acid dimer 1 H2O Water HCOOH Formic acid to O-C
bond energy H2OHCOOH Water formic acid dimer 2 H2O Water HCOOH Formic acid to O=C
bond energy H2OCH3OCH3 water dimethylether dimer H2O Water CH3OCH3 Dimethyl ether  
bond energy HCONH2CN2H4 formamide aminomethanimine dimer CHONH2 formamide NHCHNH2 aminomethanimine both are donors