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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 rAlBr 1 rAlCl 4 rAlF 2
rAlH 5 rAlO 1 rAlP 9 rAlS 1
rArAr 4 rArH 1 rAsAs 2 rAsH 2
rBB 8 rBBr 2 rBC 3 rBCl 4
rBeBe 1 rBeCl 2 rBeF 2 rBeH 2
rBeO 1 rBeS 1 rBF 4 rBH 13
rBN 3 rBO 3 rBP 1 rBrBr 1
rBrI 1 rBrO 1 rBS 2 rCaBr 2
rCaH 1 rCAl 1 rCBr 17 rCC 476
rCCa 1 rCCl 65 rCF 62 rCFe 1
rCGe 1 rCH 471 rCI 8 rClAs 1
rClBr 1 rClCa 1 rClCl 5 rClGa 2
rClGe 2 rClI 1 rClO 5 rClTi 1
rCN 96 rCO 143 rCP 4 rCS 34
rCSe 7 rCSi 3 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 5 rFI 1 rFKr 1 rFMg 1
rFNa 1 rFO 5 rFP 7 rFS 8
rFSc 1 rFSe 2 rFSi 4 rFXe 2
rGaAs 1 rGaH 1 rGeH 3 rHB 6
rHBr 4 rHC 28 rHCl 5 rHCr 1
rHeHe 1 rHF 4 rHH 1 rHHe 1
rHI 4 rHKr 1 rHN 12 rHP 1
rHS 7 rHTe 1 rHTi 1 rHZn 2
rII 1 rIO 1 rKBr 1 rKCl 1
rKF 1 rKH 1 rKI 1 rKK 1
rLiBr 1 rLiCl 4 rLiF 1 rLiH 1
rLiI 1 rLiK 1 rLiLi 4 rLiN 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 rNaI 1 rNaK 1 rNAl 1
rNaNa 1 rNaO 1 rNAs 2 rNBr 2
rNCl 5 rNeH 1 rNeNe 4 rNF 9
rNH 42 rNN 16 rNO 51 rNS 10
rNSb 1 rNSe 1 rO=Ti 1 rOBr 1
rOCa 2 rOCl 6 rOF 1 rOGa 1
rOH 47 rOK 1 rON 1 rOO 20
rOP 2 rOS 8 rOSc 1 rPBr 2
rPCl 6 rPF 2 rPGa 16 rPH 17
rPN 1 rPO 7 rPP 6 rPS 1
rSCa 1 rScH 1 rSCl 8 rSD 1
rSeH 3 rSeO 3 rSeSe 1 rSF 5
rSH 22 rSiBr 6 rSiC 3 rSiCl 7
rSiF 6 rSiH 22 rSiN 1 rSiO 1
rSiP 1 rSiS 1 rSiSe 1 rSiSi 2
rSO 14 rSS 19 rSSe 1 rSZn 1
rTiCl 1 rVO 1 rXeH 1 rZnC 1
rZnH 3

Angles

descriptionCount descriptionCount descriptionCount descriptionCount
aBBB 2 aBBCl 1 aBBF 1 aBBH 2
aBHB 2 aBNB 1 aBrCaBr 1 aBrCBr 4
aBrPBr 1 aCBC 1 aCCBr 1 aCCC 240
aCCCl 47 aCCF 39 aCCH 21 aCCI 1
aCCN 30 aCCO 75 aCCS 17 aCCSe 1
aCHS 1 aClAlCl 2 aClAsCl 1 aClBCl 2
aClCBr 4 aClCCl 14 aClCI 1 aClGeCl 1
aClNaCl 1 aClNCl 1 aClOCl 1 aClPCl 2
aClSCl 3 aClSiCl 5 aCNC 20 aCNN 7
aCNO 7 aCOC 23 aCOCl 1 aCOF 1
aCON 7 aCOO 3 aCSC 13 aCSeC 1
aCSiC 2 aCSiCl 1 aCSiH 1 aCSO 2
aCSS 2 aDSD 1 aFBF 3 aFBrF 3
aFCBr 4 aFCCl 7 aFCF 27 aFCI 2
aFClF 5 aFClO 1 aFCO 2 aFKrF 1
aFNaF 1 aFNF 4 aFNO 1 aFOF 1
aFPF 3 aFSCl 2 aFSeF 2 aFSF 11
aFSiF 5 aFXeF 1 aHAlH 1 aHAsH 1
aHBC 1 aHBCl 1 aHBeH 1 aHBF 1
aHBH 10 aHBN 2 aHBP 1 aHBS 1
aHC=S 1 aHCB 1 aHCBr 7 aHCC 302
aHCCl 11 aHCF 17 aHCGe 1 aHCH 220
aHCI 3 aHClH 1 aHCN 31 aHCO 40
aHCP 4 aHCS 26 aHCSe 3 aHCSi 4
aHCZn 1 aHFF 2 aHGeC 1 aHGeH 2
aHNB 2 aHNC 22 aHNF 2 aHNH 18
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 2 aHSiH 13
aHSiSi 1 aHSN 4 aHSO 1 aHSS 6
aHTeH 1 aICI 1 aICN 1 aN#CZn 1
aNaFNa 1 aNBN 1 aNCN 6 aNCO 7
aNCS 3 aNNF 1 aNNO 7 aNOF 1
aNON 1 aNSF 1 aNSN 1 aOBO 1
aOC=O 1 aOCBr 1 aOCCl 2 aOCF 1
aOCH 4 aOClF 2 aOClO 6 aOCO 15
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 7 aXCF 1 aXNF 1 aXNH 1
aXPCl 1 aXPF 1 aXPH 1 aXSiH 1