National Institute of Standards and Technology
Computational Chemistry Comparison and Benchmark DataBase
Release 21August 2020
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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Hydrogen-bonded dimers

A.Experimental Data
B.Calculated Data
 1.List of dimers
  a.List of completed calculations by method/basis set
  b.List of completed calculations by molecule
 2.Hydrogen-bond strengths
 1.Counterpoise corrections
  b.Geometries (use section IV.D.1)
  c.Vibrational Frequencies (use section III.G.7)