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Experimental descriptions of available bonds, angles and dihedrals.

This tables lists the coordinate description and how many of that type are in the CCCBDB for experimental coordinates. Click on the description for a comparison of Theory with experiment.
descriptionCount descriptionCount descriptionCount descriptionCount
rAlAl 1 rAlCl 4 rAlF 2 rAlH 5
rAlO 1 rAlP 9 rAlS 1 rArAr 1
rArH 1 rAsAs 2 rAsH 2 rBB 4
rBBr 2 rBC 2 rBCl 4 rBeBe 1
rBeCl 2 rBeF 2 rBeH 2 rBeO 1
rBeS 1 rBF 4 rBH 13 rBN 3
rBO 3 rBrBr 1 rBrI 1 rBrO 1
rBS 2 rCaBr 1 rCaH 1 rCAl 1
rCBr 15 rCC 422 rCCa 1 rCCl 53
rCF 47 rCFe 1 rCGe 1 rCH 431
rCI 3 rClAs 1 rClBr 1 rClCa 1
rClCl 4 rClGa 2 rClGe 2 rClI 1
rClO 5 rClTi 1 rCN 87 rCO 129
rCP 4 rCS 28 rCSe 5 rCSi 2
rCuCl 1 rCuCu 1 rCuF 1 rCuH 1
rCuO 1 rCZn 1 rDCl 1 rDD 1
rDF 1 rDH 1 rDO 1 rDS 1
rFAs 1 rFBr 5 rFCa 1 rFCl 8
rFF 5 rFGa 2 rFGe 4 rFI 1
rFMg 1 rFO 5 rFP 7 rFS 6
rFSc 1 rFSi 4 rGaAs 1 rGaH 1
rGeH 3 rHB 1 rHBr 4 rHC 1
rHCl 4 rHCr 1 rHeHe 1 rHF 4
rHH 1 rHI 1 rHN 2 rHTi 1
rHZn 2 rII 1 rKBr 1 rKCl 1
rKF 1 rKH 1 rKK 1 rLiBr 1
rLiCl 4 rLiF 1 rLiH 1 rLiK 1
rLiLi 1 rLiNa 1 rLiO 3 rLiS 1
rMgCl 2 rMgF 1 rMgH 4 rMgMg 1
rMgO 2 rMgS 1 rNaBr 1 rNaCl 2
rNaF 1 rNaH 1 rNaK 1 rNAl 1
rNaNa 1 rNaO 1 rNAs 2 rNBr 2
rNCl 3 rNeNe 4 rNF 7 rNH 41
rNN 15 rNO 50 rNS 6 rNSe 1
rO=Ti 1 rOBr 1 rOCa 2 rOCl 6
rOF 1 rOGa 1 rOH 43 rOK 1
rON 1 rOO 20 rOP 2 rOS 8
rOSc 1 rPBr 1 rPCl 6 rPF 1
rPGa 16 rPH 17 rPN 1 rPO 7
rPP 6 rPS 1 rSCa 1 rScH 1
rSCl 7 rSD 1 rSeH 3 rSeO 2
rSeSe 1 rSF 5 rSH 19 rSiBr 3
rSiC 3 rSiCl 7 rSiF 4 rSiH 20
rSiN 1 rSiO 1 rSiP 1 rSiS 1
rSiSi 2 rSO 13 rSS 10 rSSe 1
rSZn 1 rTiCl 1 rVO 1 rZnC 1
rZnH 3

Angles

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