National Institute of Standards and Technology
Computational Chemistry Comparison and Benchmark DataBase
Release 17bSeptember 2015
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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I.C.1.d. (VII.A.5.)

Dipole and Quadrupole Units

Choose units

Debye for dipoles and Debye Angstrom for quadrupoles
e a0 (electron charge times bohr) for dipoles and e a02 for quadrupoles.
Choose Dipole Units Quadrupole Units
Debye Debye Å
e a0 e a02
Bohr Radius, a0 = 0.529 177 2083 x 10-10 m
Angstrom, Å = 10-10 m