National Institute of Standards and Technology
Computational Chemistry Comparison and Benchmark DataBase
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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Charge and Dipole Units

The Debye is the unit for the dipole moment of molecules. The Debye has the dimensions of charge times distance.
1 Debye is 10-18 statcoul cm
1 Debye is 3.335641x10-30 A m s
1 Debye is 3.335641x10-30 C m
1 Debye is 0.208194 e Å
1 Debye is 0.393430 e Bohr
1 Debye is 10-18 esu cm

Mulliken and CHELPG charges are given in terms of e, the charge on an electron.
1 e is 1.602176462x10-19 C