National Institute of Standards and Technology
Computational Chemistry Comparison and Benchmark DataBase
Release 20August 2019
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
aBBB 2 aBBCl 1 aBBF 1 aBBH 2
aBHB 2 aBNB 1 aBrCBr 3 aBrPBr 1
aCCBr 1 aCCC 233 aCCCl 45 aCCF 29
aCCH 17 aCCN 28 aCCO 69 aCCS 17
aCCSe 1 aCHS 1 aClAlCl 2 aClAsCl 1
aClBCl 2 aClCBr 3 aClCCl 14 aClGeCl 1
aClNaCl 1 aClOCl 1 aClPCl 2 aClSCl 3
aClSiCl 5 aCNC 19 aCNN 6 aCNO 6
aCOC 22 aCOCl 1 aCOF 1 aCON 7
aCOO 3 aCSC 12 aCSeC 1 aCSiC 1
aCSiCl 1 aCSiH 1 aCSO 2 aCSS 2
aDSD 1 aFBF 3 aFBrF 3 aFCBr 3
aFCCl 7 aFCF 23 aFCI 1 aFClF 5
aFClO 1 aFCO 2 aFNF 4 aFNO 1
aFOF 1 aFPF 2 aFSCl 2 aFSF 11
aFSiF 3 aHAlH 1 aHAsH 1 aHBC 1
aHBCl 1 aHBeH 1 aHBF 1 aHBH 10
aHBN 2 aHBP 1 aHBS 1 aHC=S 1
aHCBr 7 aHCC 279 aHCCl 10 aHCF 16
aHCGe 1 aHCH 210 aHCI 1 aHCN 31
aHCO 36 aHCP 4 aHCS 25 aHCSe 3
aHCSi 4 aHCZn 1 aHFF 2 aHGeC 1
aHGeH 2 aHNB 2 aHNC 22 aHNF 2
aHNH 17 aHNN 5 aHNO 2 aHNS 4
aHOBr 1 aHOC 17 aHOCl 2 aHOF 1
aHOH 5 aHOK 1 aHOLi 1 aHOMg 1
aHON 4 aHOO 3 aHOS 2 aHPB 1
aHPC 2 aHPH 4 aHPO 1 aHPP 2
aHSC 8 aHSeC 1 aHSeH 1 aHSH 1
aHSiBr 1 aHSiC 1 aHSiCl 3 aHSiF 1
aHSiH 12 aHSiSi 1 aHSN 4 aHSO 1
aHSS 6 aICN 1 aN#CZn 1 aNBN 1
aNCN 6 aNCO 7 aNCS 2 aNNF 1
aNNO 7 aNOF 1 aNSF 1 aNSN 1
aOBO 1 aOC=O 1 aOCCl 2 aOCF 1
aOCH 4 aOClF 2 aOClO 6 aOCO 14
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 aSSF 1
aSSS 6 aXCF 1 aXNF 1 aXNH 1
aXPCl 1 aXPF 1 aXPH 1 aXSiH 1