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IV.D.4. (XII.A.2.)

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 2 rAlF 2 rAlH 3
rAlO 1 rAlS 1 rAsAs 1 rBB 4
rBCl 4 rBeBe 1 rBeCl 1 rBeF 1
rBeH 1 rBeO 1 rBeS 1 rBF 4
rBH 9 rBN 3 rBO 3 rBrBr 1
rBrO 1 rBS 2 rC=C 1 rCBr 10
rCC 394 rCCl 45 rCF 37 rCGe 1
rCH 383 rCI 1 rClBr 1 rClCa 1
rClCl 4 rClGe 1 rClO 5 rCN 78
rCO 124 rCP 4 rCS 25 rCSe 3
rCuCl 1 rCuCu 1 rCuF 1 rCuO 1
rDCl 1 rDD 1 rDF 1 rDH 1
rDO 1 rFAs 1 rFBr 5 rFCa 1
rFCl 7 rFF 2 rFO 5 rFP 2
rFS 1 rFSi 1 rHAl 2 rHAr 1
rHAs 1 rHB 2 rHBr 4 rHC 20
rHCa 1 rHCl 4 rHCu 1 rHeHe 1
rHF 4 rHGe 2 rHH 4 rHI 1
rHK 1 rHMg 2 rHN 8 rHO 9
rHP 8 rHS 2 rHSe 3 rHSi 4
rHZn 2 rII 1 rKBr 1 rKCl 1
rKF 1 rLiBr 1 rLiCl 4 rLiF 1
rLiH 1 rLiK 1 rLiLi 1 rLiNa 1
rLiO 3 rMgCl 2 rMgF 1 rMgH 2
rMgMg 1 rMgO 2 rMgS 1 rNaBr 1
rNaCl 2 rNaF 1 rNaH 1 rNaK 1
rNAl 1 rNaNa 4 rNaO 1 rNCl 3
rNeNe 1 rNF 6 rNH 32 rNN 15
rNO 47 rNS 4 rOBr 1 rOCa 1
rOCl 4 rOF 1 rOH 29 rON 1
rOO 11 rOP 2 rOS 3 rOSi 2
rPCl 5 rPF 6 rPH 9 rPN 1
rPO 6 rPP 6 rPS 1 rSCl 6
rSD 1 rSeO 2 rSeSe 1 rSF 5
rSH 9 rSiC 3 rSiCl 6 rSiF 3
rSiH 12 rSiN 1 rSiO 2 rSiS 1
rSiSi 2 rSO 11 rSS 10 rSSe 1
rSZn 1 rTiCl 1 rZnC 1

Angles

descriptionCount descriptionCount descriptionCount descriptionCount
aBBCl 1 aBBF 1 aBHB 1 aBNB 1
aBrCBr 3 aC=CC 2 aCC=C 1 aCCBr 1
aCCC 208 aCCCl 35 aCCF 18 aCCH 8
aCCN 27 aCCO 64 aCCS 13 aCGeH 1
aClBCl 2 aClCBr 1 aClCCl 14 aClGeCl 1
aClNaCl 1 aClOCl 1 aClPCl 2 aClSCl 3
aClSiCl 4 aCNC 17 aCNN 6 aCNO 5
aCOC 20 aCOCl 1 aCOF 1 aCOH 2
aCON 7 aCOO 1 aCSC 11 aCSiC 1
aCSiH 1 aCSO 2 aCSS 1 aFBF 3
aFBrF 3 aFC=O 1 aFCBr 1 aFCCl 5
aFCF 19 aFClF 2 aFNF 3 aFOF 1
aFPF 2 aFSF 7 aFSiF 2 aGeCH 1
aHAlH 1 aHAsH 1 aHBCl 1 aHBF 1
aHBH 4 aHBN 2 aHBS 1 aHC=C 1
aHC=O 1 aHCBr 4 aHCC 244 aHCCl 8
aHCF 12 aHCH 179 aHCI 1 aHCN 26
aHCO 32 aHCP 4 aHCS 16 aHCSi 1
aHFF 2 aHGeH 1 aHNB 2 aHNC 16
aHNH 11 aHNN 5 aHNO 2 aHOBr 1
aHOC 14 aHOCl 2 aHOF 1 aHOH 2
aHOLi 1 aHOMg 1 aHON 4 aHOO 2
aHOS 1 aHPC 2 aHPH 3 aHPO 1
aHPP 2 aHSC 5 aHSeC 1 aHSeH 1
aHSH 1 aHSiC 1 aHSiCl 3 aHSiF 1
aHSiH 9 aHSiSi 1 aHSS 1 aNBN 1
aNCH 2 aNCN 5 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 aONCl 2
aONF 2 aONO 22 aOOCl 1 aOOF 1
aOOO 1 aOOX 2 aOPCl 1 aOPF 1
aOPO 1 aOSCl 2 aOSeO 1 aOSO 7
aOSS 1 aPPP 1 aSCS 1 aSiCH 3
aSSCl 2 aSSS 1 aXCF 1 aXNF 1
aXNH 1 aXPCl 1 aXPF 1 aXPH 1
aXSiH 1 aZnCH 1