National Institute of Standards and Technology
Computational Chemistry Comparison and Benchmark DataBase
Release 19April 2018
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 220
aCCCl 40 aCCF 24 aCCH 14 aCCN 27
aCCO 68 aCCS 16 aClAlCl 2 aClAsCl 1
aClBCl 2 aClCBr 3 aClCCl 15 aClGeCl 1
aClNaCl 1 aClOCl 1 aClPCl 2 aClSCl 3
aClSiCl 5 aCNC 18 aCNN 6 aCNO 6
aCOC 21 aCOCl 1 aCOF 1 aCON 7
aCOO 3 aCSC 12 aCSiC 1 aCSiCl 1
aCSiH 1 aCSO 2 aCSS 1 aDSD 1
aFBF 3 aFBrF 3 aFCBr 3 aFCCl 7
aFCF 23 aFCI 1 aFClF 5 aFClO 1
aFCO 2 aFNF 3 aFNO 1 aFOF 1
aFPF 2 aFSCl 1 aFSF 11 aFSiF 3
aHAlH 1 aHAsH 1 aHBC 1 aHBCl 1
aHBeH 1 aHBF 1 aHBH 5 aHBN 2
aHBS 1 aHCBr 7 aHCC 260 aHCCl 9
aHCF 13 aHCGe 1 aHCH 199 aHCI 1
aHCN 30 aHCO 36 aHCP 4 aHCS 23
aHCSe 2 aHCSi 4 aHCZn 1 aHFF 2
aHGeC 1 aHGeH 2 aHNB 2 aHNC 18
aHNH 11 aHNN 5 aHNO 2 aHOBr 1
aHOC 17 aHOCl 2 aHOF 1 aHOH 2
aHOK 1 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 aHSiBr 1 aHSiC 1
aHSiCl 3 aHSiF 1 aHSiH 12 aHSiSi 1
aHSS 1 aICN 1 aN#CZn 1 aNBN 1
aNCN 6 aNCO 7 aNCS 1 aNNF 1
aNNO 7 aNOF 1 aNSF 1 aNSN 1
aOBO 1 aOCCl 2 aOCF 1 aOCH 2
aOClF 2 aOClO 6 aOCO 13 aOCS 1
aOCSe 1 aOLiO 1 aONBr 1 aONCl 2
aONF 2 aONO 23 aOOCl 1 aOOF 1
aOOO 2 aOOX 2 aOPCl 2 aOPF 1
aOPO 1 aOSCl 2 aOSeO 1 aOSF 3
aOSO 7 aOSS 1 aPPP 1 aSCS 2
aSNS 1 aSSCl 2 aSSS 1 aXCF 1
aXNF 1 aXNH 1 aXPCl 1 aXPF 1
aXPH 1 aXSiH 1