National Institute of Standards and Technology
Computational Chemistry Comparison and Benchmark DataBase
Release 17bSeptember 2015
NIST Standard Reference Database 101
IIntroduction
IIExperimental data
IIICalculated data
IVData comparisons
VCost comparisons
VIInput and output files
VIITutorials and Units
VIIILinks to other sites
IXFeedback
XOlder CCCBDB versions
XIIGeometries
XIII Vibrations
XIVReaction data
XVEntropy data
XVIBibliographic data
XVIIIon data
XVIIIBad calculations
XIXIndex of properties
XXH-bond dimers
XXIOddities

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II.B.4. (XII.A.4.)

Experimental descriptions of bond angles with experimental data.

This table lists coordinate descriptions and how many of that type of angle are in the CCCBDB. Click on the description for a more detailed list. The angles are listed with the first atom having the smallest atomic number. For example: an angle involving C-C-H atoms will be listed under aHCC.
descriptionCount descriptionCount descriptionCount descriptionCount
aBBCl 1 aBBF 1 aBHB 1 aBNB 1
aBrCBr 3 aBrPBr 1 aCCBr 1 aCCC 217
aCCCl 37 aCCF 21 aCCH 8 aCCN 27
aCCO 66 aCCS 16 aClAlCl 2 aClAsCl 1
aClBCl 2 aClCBr 1 aClCCl 14 aClGeCl 1
aClNaCl 1 aClOCl 1 aClPCl 2 aClSCl 3
aClSiCl 5 aCNC 17 aCNN 6 aCNO 6
aCOC 20 aCOCl 1 aCOF 1 aCON 7
aCOO 1 aCSC 11 aCSiC 1 aCSiCl 1
aCSiH 1 aCSO 2 aCSS 1 aDSD 1
aFBF 3 aFBrF 3 aFCBr 1 aFCCl 5
aFCF 21 aFCI 1 aFClF 4 aFCO 2
aFNF 3 aFOF 1 aFPF 2 aFSCl 1
aFSF 9 aFSiF 3 aHAlH 1 aHAsH 1
aHBCl 1 aHBeH 1 aHBF 1 aHBH 4
aHBN 2 aHBS 1 aHCBr 4 aHCC 253
aHCCl 8 aHCF 12 aHCGe 1 aHCH 191
aHCI 1 aHCN 30 aHCO 33 aHCP 4
aHCS 21 aHCSi 4 aHCZn 1 aHFF 2
aHGeC 1 aHGeH 2 aHNB 2 aHNC 17
aHNH 11 aHNN 5 aHNO 2 aHOBr 1
aHOC 17 aHOCl 2 aHOF 1 aHOH 2
aHOLi 1 aHOMg 1 aHON 4 aHOO 3
aHOS 1 aHPC 2 aHPH 3 aHPO 1
aHPP 2 aHSC 8 aHSeC 1 aHSeH 1
aHSH 1 aHSiC 1 aHSiCl 3 aHSiF 1
aHSiH 9 aHSiSi 1 aHSS 1 aNBN 1
aNCN 6 aNCO 6 aNNF 1 aNNO 7
aNOF 1 aOBO 1 aOCCl 2 aOCF 1
aOClF 1 aOClO 6 aOCO 12 aOCS 1
aOCSe 1 aOLiO 1 aONBr 1 aONCl 2
aONF 2 aONO 22 aOOCl 1 aOOF 1
aOOO 2 aOOX 2 aOPCl 1 aOPF 1
aOPO 1 aOSCl 2 aOSeO 1 aOSF 1
aOSO 7 aOSS 1 aPPP 1 aSCS 1
aSSCl 2 aSSS 1 aXCF 1 aXNF 1
aXNH 1 aXPCl 1 aXPF 1 aXPH 1
aXSiH 1