return to home page Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
You are here: Comparisons > Geometry > Bonds, angles > Average bond lengths

Average Bond Length Differences by Model Chemistry

Calculated at QCISD/aug-cc-pVDZ

Species Name Bond type Bond Length (Å)
Experimental unc. Calculated Difference atom1 atom2
C4H10O Methyl propyl ether rCC 1.530   1.105 -0.425 5 13
C5H8O Methyl cyclopropyl ketone rCH 1.126   1.099 -0.027 3 7
NH3BF3 Amminetrifluoroboron rBN 1.673   1.654 -0.019 1 2
C2H2O2 Ethanedial rCH 1.132   1.114 -0.018 1 3
LiOH lithium hydroxide rOH 0.969   0.954 -0.015 1 3
FNO2 Nitryl fluoride rNF 1.467 ±0.015 1.455 -0.012 1 2
CH3CH2CH2CH3 Butane rCH 1.117   1.107 -0.010 1 5
C4H8O2 Ethyl acetate rCH 1.105   1.098 -0.007 1 7
HF+ hydrogen fluoride cation rHF 1.014   1.009 -0.006 1 2
C3F6 hexafluoropropene rCF 1.329 ±0.003 1.325 -0.004 1 4
C5H8 Ethenylcyclopropane rCH 1.099   1.095 -0.004 1 6
HNO3 Nitric acid rNO 1.406   1.403 -0.003 1 2
HeH+ Helium hydride cation rHHe 0.790   0.787 -0.003 1 2
HClO4 perchloric acid rOH 0.980   0.977 -0.003 3 6
HOCl hypochlorous acid rOH 0.973 ±0.002 0.971 -0.002 1 2
H2Cl+ dihydrogen monochloride cation rHCl 1.321 ±0.000 1.319 -0.002 1 2
SiH2Cl2 dichlorosilane rSiH 1.480 ±0.015 1.479 -0.001 1 2
CH3CH2CHO Propanal rCH 1.103   1.102 -0.001 1 6
NH4+ ammonium cation rHN 1.029 ±0.000 1.028 0.000 1 2
CH2NH Methanimine rCH 1.103   1.104 0.001 1 3
HSe Selenium monohydride rSeH 1.475 ±0.010 1.476 0.001 1 2
B2H6 Diborane rBH 1.200   1.202 0.002 1 5
ArH+ Argon hydride cation rArH 1.292 ±0.000 1.294 0.002 1 2
C10H8 Azulene rC:C 1.414   1.417 0.002 7 9
CH3NH2 methyl amine rNH 1.018 ±0.001 1.021 0.003 2 6
CH3CH2CHO Propanal rCH 1.105   1.108 0.003 2 8
AsH Arsenic monohydride rAsH 1.535 ±0.001 1.538 0.003 1 2
CH3CH2CHO Propanal rCH 1.115   1.118 0.003 3 10
CBrClF2 Methane, bromochlorodifluoro- rCBr 1.932 ±0.004 1.936 0.004 1 2
CH3CHO Acetaldehyde rCH 1.114   1.118 0.004 1 4
CH3NH2 methyl amine rCN 1.471 ±0.003 1.475 0.004 1 2
O2 Oxygen diatomic rO=O 1.208   1.212 0.005 1 2
C3H6O 2-Propen-1-ol rCH 1.091 ±0.010 1.096 0.005 3 9
CH2PH Phosphaethene rCH 1.090 ±0.015 1.095 0.005 1 3
C3H6O 2-Propen-1-ol rCH 1.092 ±0.010 1.097 0.005 2 7
KrH+ Protonated Krypton rHKr 1.421 ±0.000 1.427 0.005 1 2
DF Hydrofluoric acid-d rDF 0.917 ±0.000 0.923 0.005 1 2
O2+ diatomic oxygen cation rOO 1.116   1.122 0.006 1 2
OCSe Carbonyl selenide rC=O 1.159   1.165 0.006 1 2
HF Hydrogen fluoride rHF 0.917 ±0.000 0.923 0.006 1 2
HO2 Hydroperoxy radical rOH 0.971   0.977 0.006 1 3
C2H2O2 Ethanedial rCC 1.526   1.532 0.006 1 2
CH2CHCH2CH3 1-Butene rCC 1.536   1.542 0.006 1 2
C5H6 Propellane rCC 1.525 ±0.002 1.531 0.006 1 2
HCCl Chloromethylene rCH 1.119 ±0.036 1.125 0.006 1 3
C3H6O 2-Propen-1-ol rCH 1.102 ±0.020 1.108 0.006 1 6
CH3CCH propyne rCH 1.096   1.102 0.006 1 5
C4H8O2 Ethyl acetate rCC 1.508   1.515 0.007 1 2
CH2CO Ketene rCH 1.083   1.089 0.007 1 4
CH3CH2CH2CH3 Butane rCC 1.531   1.538 0.007 1 2
CH3CH2CHO Propanal rCH 1.096   1.103 0.007 1 5
CH2PH Phosphaethene rCH 1.090 ±0.015 1.097 0.007 1 4
H2O Water rOH 0.958 ±0.000 0.965 0.007 1 2
CHF3 Methane, trifluoro- rCH 1.091 ±0.014 1.098 0.007 1 2
He2+ helium diatomic cation rHeHe 1.081 ±0.001 1.088 0.007 1 2
H2CSe Selenoformaldehyde rHC 1.090   1.098 0.007 1 3
CH3OC2H5 Ethane, methoxy- rCO 1.415 ±0.005 1.422 0.007 1 2
C3H3NO Oxazole rCO 1.357 ±0.003 1.365 0.008 1 2
C4H8O2 Ethyl acetate rCC 1.515   1.523 0.008 5 6
HS+ sulfur monohydride cation rSH 1.374   1.382 0.008 1 2
CH3NO nitrosomethane rCH 1.094   1.102 0.008 1 4
FNO2 Nitryl fluoride rN=O 1.180 ±0.005 1.188 0.008 1 3
OH- hydroxide anion rOH 0.964   0.972 0.008 1 2
HBr+ hydrogen bromide cation rHBr 1.448   1.456 0.008 1 2
CH2 Methylene rCH 1.085   1.093 0.008 1 2
CH3CHS Thioacetaldehyde rCH 1.098   1.106 0.008 2 6
OH Hydroxyl radical rOH 0.970   0.978 0.008 1 2
CHONH2 formamide rNH 1.001   1.010 0.009 3 6
HSiCl Chlorosilylene rSiH 1.525 ±0.005 1.534 0.009 1 3
CH3CHFCH3 2-Fluoropropane rCH 1.093 ±0.006 1.102 0.009 4 8
CH3CH2CHO Propanal rCC 1.509   1.518 0.009 2 3
B2H6 Diborane rBH 1.320   1.329 0.009 1 3
CH3CH2CHO Propanal rCC 1.523   1.532 0.009 1 2
HOBr Hypobromous acid rOH 0.961   0.970 0.009 1 2
C5H6 Propellane rCC 1.596 ±0.005 1.605 0.009 2 5
CH3CHFCH3 2-Fluoropropane rCH 1.094 ±0.005 1.103 0.009 4 10
C2H2ClF 1-chloro-1-fluoroethylene rCH 1.082 ±0.001 1.092 0.010 2 5
CH3OC2H5 Ethane, methoxy- rCH 1.099 ±0.007 1.109 0.010 1 6
CH3CHClCH3 Propane, 2-chloro- rCH 1.091   1.101 0.010 2 5
C3H8 Propane rCH 1.096   1.106 0.010 1 4
C4H8 cyclobutane rCH 1.093   1.103 0.010 1 5
CH3CHS Thioacetaldehyde rCH 1.090   1.100 0.010 2 5
SiH3F monofluorosilane rSiH 1.476   1.486 0.010 1 3
C3H6 Cyclopropane rCH 1.083   1.093 0.010 1 4
CH2Cl2 Methylene chloride rCH 1.085 ±0.002 1.095 0.010 1 2
HBr hydrogen bromide rHBr 1.414 ±0.000 1.425 0.010 1 2
CH3OC2H5 Ethane, methoxy- rCH 1.100 ±0.003 1.110 0.010 3 8
CH2CHF Ethene, fluoro- rCH 1.082   1.093 0.011 1 4
CH3OC2H5 Ethane, methoxy- rCH 1.092 ±0.007 1.103 0.011 4 11
C5H8O Methyl cyclopropyl ketone rCC 1.510   1.521 0.011 2 3
SiH3Cl chlorosilane rSiH 1.475   1.486 0.011 1 3
CHONH2 formamide rNH 1.001   1.012 0.011 3 5
C3H6O 2-Propen-1-ol rCH 1.096 ±0.030 1.107 0.011 1 5
C10H8 Azulene rC:C 1.398   1.409 0.011 1 3
C4H8 cyclobutane rCH 1.091   1.102 0.011 1 6
C3H3NO Oxazole rCO 1.370 ±0.002 1.381 0.011 1 5
CH3NO nitrosomethane rCH 1.092   1.103 0.011 1 5
NO+ nitric oxide cation rN=O 1.066   1.077 0.011 1 2
NH2SH Thiohydroxylamine rSH 1.344 ±0.029 1.355 0.011 2 3
H2Se Hydrogen selenide rSeH 1.460   1.471 0.011 1 2
C3F6 hexafluoropropene rC=C 1.329 ±0.003 1.340 0.011 1 2
C10H8 Azulene rCH 1.084   1.095 0.011 4 14
C3H4 cyclopropene rCH 1.088   1.100 0.012 1 6
C10H8 Azulene rC:C 1.405 ±0.001 1.416 0.012 2 9
SiH4 Silane rSiH 1.480 ±0.000 1.492 0.012 1 2
C10H8 Azulene rCH 1.080   1.092 0.012 9 17
CH2CO Ketene rC=O 1.162   1.175 0.013 2 3
CH3CHFCH3 2-Fluoropropane rCH 1.092   1.105 0.013 1 3
N3 azide radical rNN 1.181   1.194 0.013 1 2
C3H3NO Oxazole rCH 1.075 ±0.001 1.088 0.013 2 6
BeH2 beryllium dihydride rBeH 1.326 ±0.000 1.339 0.013 1 2
ScH Scandium monohydride rScH 1.775 ±0.000 1.788 0.013 1 2
C3H3NO Oxazole rCH 1.075 ±0.001 1.088 0.013 4 7
CN Cyano radical rC#N 1.172   1.185 0.013 1 2
CH3CHClCH3 Propane, 2-chloro- rCH 1.092   1.105 0.013 3 6
C2H Ethynyl radical rC#C 1.217   1.230 0.013 1 2
C3H3NO Oxazole rCH 1.073 ±0.001 1.087 0.013 5 8
CH3CHS Thioacetaldehyde rCH 1.089   1.103 0.014 1 4
GeH germylidene rGeH 1.588   1.602 0.014 1 2
C2H2 Acetylene rCH 1.063   1.077 0.014 1 3
C4H8O2 Ethyl acetate rCO 1.345   1.359 0.014 2 3
CO+ carbon monoxide cation rC=O 1.115 ±0.000 1.129 0.014 1 2
CH3CHO Acetaldehyde rCH 1.086   1.100 0.014 2 5
C5H8 Ethenylcyclopropane rCC 1.475   1.489 0.014 1 2
CH3OC2H5 Ethane, methoxy- rCH 1.086 ±0.010 1.100 0.014 1 5
C4H6 Bicyclo[1.1.0]butane rCC 1.497   1.511 0.014 1 2
CH4 Methane rCH 1.087 ±0.001 1.101 0.014 1 2
C4H8O2 Ethyl acetate rC=O 1.203   1.218 0.015 2 4
COBr2 Carbonic dibromide rC=O 1.172 ±0.003 1.187 0.015 1 2
H2CSe Selenoformaldehyde rC=Se 1.753   1.768 0.015 1 2
F2 Fluorine diatomic rFF 1.412   1.427 0.015 1 2
NO Nitric oxide rN=O 1.154 ±0.000 1.169 0.015 1 2
CH3OC2H5 Ethane, methoxy- rCH 1.089 ±0.008 1.104 0.015 4 10
AsH3 Arsine rAsH 1.511 ±0.000 1.526 0.015 1 2
C10H8 Azulene rCH 1.083   1.098 0.015 5 15
CH3Br methyl bromide rCH 1.082 ±0.001 1.097 0.015 1 3
CH3CCH propyne rCH 1.060   1.075 0.015 3 4
CO Carbon monoxide rC#O 1.128 ±0.000 1.144 0.015 1 2
C3H4 cyclopropene rCH 1.072   1.087 0.015 2 4
BH3 boron trihydride rBH 1.190   1.205 0.015 1 2
CH2CHF Ethene, fluoro- rCH 1.077   1.092 0.015 2 5
C10H8 Azulene rCH 1.081   1.097 0.015 1 11
BeH beryllium monohydride rBeH 1.343   1.358 0.016 1 2
CH3NH2 methyl amine rCH 1.093 ±0.000 1.109 0.016 1 3
HCl+ hydrogen chloride cation rHCl 1.315   1.330 0.016 1 2
C2H2+ acetylene cation rC=C 1.253 ±0.001 1.269 0.016 1 2
C2H2+ acetylene cation rCH 1.077 ±0.005 1.093 0.016 1 3
SiH2F2 difluorosilane rSiH 1.462   1.478 0.016 1 4
HCl Hydrogen chloride rHCl 1.275 ±0.000 1.291 0.016 1 2
CH3CHFCH3 2-Fluoropropane rCH 1.088 ±0.006 1.104 0.016 4 6
CH2F2 Methane, difluoro- rCH 1.084 ±0.003 1.100 0.016 1 2
C3H6O 2-Propen-1-ol rCH 1.078 ±0.010 1.094 0.016 3 8
HNCNH diiminomethane rC=N 1.224 ±0.001 1.241 0.017 1 2
C2H3 vinyl rCH 1.085   1.102 0.017 2 4
NH2CONH2 Urea rNH 0.998   1.015 0.017 4 8
BO boron monoxide rB=O 1.205   1.221 0.017 1 2
HO2 Hydroperoxy radical rOO 1.331   1.348 0.017 1 2
SiH3+ Silyl cation rSiH 1.460 ±0.010 1.477 0.017 1 2
CH2Br2 dibromomethane rCBr 1.925 ±0.002 1.942 0.017 1 4
GeH3F monofluorogermane rGeH 1.515 ±0.000 1.532 0.018 1 3
N2 Nitrogen diatomic rN#N 1.098   1.115 0.018 1 2
CH3CH2O Ethoxy radical rCH 1.085   1.103 0.018 1 5
BN boron nitride rB=N 1.325   1.343 0.018 1 2
HS Mercapto radical rSH 1.341   1.359 0.018 1 2
CN- cyanide anion rC#N 1.177 ±0.004 1.196 0.019 1 2
HS- mercapto anion rSH 1.343   1.362 0.019 1 2
CH Methylidyne rCH 1.120   1.139 0.019 1 2
CH3CH2O Ethoxy radical rCH 1.086   1.105 0.019 1 4
CSe2 Carbon diselenide rC=Se 1.692 ±0.000 1.712 0.019 1 2
C10H8 Azulene rC:C 1.484   1.503 0.019 7 8
BH Boron monohydride rBH 1.232   1.252 0.020 1 2
H2 Hydrogen diatomic rHH 0.741   0.761 0.020 1 2
SiH+ silicon monohydride cation rSiH 1.504   1.524 0.020 1 2
CH3OC2H5 Ethane, methoxy- rCO 1.407 ±0.004 1.427 0.020 2 3
C3H6 Cyclopropane rCC 1.501   1.521 0.020 1 2
CH2CHCH2CH3 1-Butene rCC 1.493   1.514 0.021 2 3
SiH Silylidyne rSiH 1.520   1.541 0.021 1 2
SCSe Carbon sulfide selenide rC=Se 1.695 ±0.002 1.716 0.021 1 3
SCSe Carbon sulfide selenide rC=S 1.553 ±0.002 1.574 0.021 1 2
CH3Br methyl bromide rCBr 1.934 ±0.000 1.955 0.021 1 2
PH phosphorus monohydride rPH 1.422   1.444 0.021 1 2
NO- nitric oxide anion rN=O 1.258 ±0.010 1.280 0.022 1 2
CHF3 Methane, trifluoro- rCF 1.328 ±0.003 1.350 0.022 1 3
C2H2 Acetylene rC#C 1.203   1.225 0.022 1 2
FO Oxygen monofluoride rFO 1.354   1.376 0.022 1 2
CH3CSNH2 Ethanethioamide rC=S 1.647 ±0.002 1.670 0.023 1 2
H2CS Thioformaldehyde rC=S 1.611   1.634 0.023 1 2
CH2Cl2 Methylene chloride rCCl 1.767 ±0.002 1.790 0.023 1 4
MgH magnesium monohydride rMgH 1.730   1.754 0.024 1 2
As2 Arsenic diatomic rAs#As 2.103   2.127 0.024 1 2
CH2F2 Methane, difluoro- rCF 1.351 ±0.001 1.375 0.024 1 4
HOBr Hypobromous acid rBrO 1.834   1.859 0.025 2 3
OCSe Carbonyl selenide rC=Se 1.709   1.734 0.025 1 3
C3O2 Carbon suboxide rC=O 1.146   1.171 0.025 2 4
CH3CH2O Ethoxy radical rCH 1.088   1.113 0.025 2 7
C10H8 Azulene rC:C 1.377   1.403 0.026 5 7
PN Phosphorus mononitride rP#N 1.491   1.517 0.026 1 2
CSe Carbon monoselenide rC=Se 1.676 ±0.000 1.702 0.026 1 2
GaF Gallium monofluoride rFGa 1.774 ±0.000 1.801 0.027 1 2
C2H6O2S Dimethyl sulfone rCS 1.777 ±0.006 1.804 0.027 1 4
SeO2 Selenium dioxide rSeO 1.607 ±0.001 1.634 0.027 1 2
BF3 Borane, trifluoro- rBF 1.307   1.335 0.028 1 2
SeO Selenium monoxide rSeO 1.639 ±0.001 1.668 0.028 1 2
C3H5 Allyl radical rCH 1.069   1.098 0.029 1 2
Se2 Selenium diatomic rSe=Se 2.166 ±0.001 2.195 0.029 1 2
CF Fluoromethylidyne rCF 1.276   1.305 0.029 1 2
C2 Carbon diatomic rC=C 1.243   1.272 0.030 1 2
SiC silicon monocarbide rCSi 1.722   1.752 0.030 1 2
LiH Lithium Hydride rLiH 1.595 ±0.000 1.625 0.030 1 2
C2H Ethynyl radical rCH 1.047   1.078 0.031 1 3
NSe Nitrogen monoselenide rN=Se 1.652   1.684 0.032 1 2
As4 Arsenic tetramer rAsAs 2.435   2.468 0.033 1 2
BrF Bromine monofluoride rFBr 1.759 ±0.000 1.792 0.033 1 2
HCCl Chloromethylene rCCl 1.696 ±0.003 1.729 0.033 1 2
P2 Phosphorus diatomic rP#P 1.893   1.927 0.033 1 2
C5H8O Cyclopentanone rCC 1.504   1.538 0.034 2 3
GeH3F monofluorogermane rGeF 1.731 ±0.000 1.765 0.034 1 2
AsF3 Arsenic trifluoride rAsF 1.706 ±0.002 1.741 0.035 1 2
LiOH lithium hydroxide rLiO 1.582   1.616 0.035 1 2
GeF+ Germanium monofluoride cation rFGe 1.665 ±0.000 1.701 0.035 1 2
NS Mononitrogen monosulfide rNS 1.497 ±0.000 1.533 0.036 1 2
Si2 Silicon diatomic rSiSi 2.246   2.282 0.036 1 2
HOCl hypochlorous acid rClO 1.697 ±0.001 1.734 0.037 1 3
GeS Germanium monosulfide rS=Ge 2.012 ±0.000 2.049 0.037 1 2
SeCl2 Selenium Dichloride rClSe 2.157 ±0.003 2.194 0.037 1 2
GeO Germanium monoxide rOGe 1.625   1.662 0.038 1 2
GeF Germanium monofluoride rFGe 1.745   1.783 0.038 1 2
C3O2 Carbon suboxide rC=C 1.251   1.291 0.040 1 2
LiNH2 lithium amide rLiN 1.736 ±0.003 1.777 0.041 1 2
LiF lithium fluoride rLiF 1.564 ±0.000 1.605 0.041 1 2
BF Boron monofluoride rBF 1.267 ±0.000 1.309 0.042 1 2
SiS silicon monosulfide rSiS 1.929 ±0.000 1.972 0.042 1 2
ClO Monochlorine monoxide rClO 1.596 ±0.001 1.639 0.043 1 2
NaH sodium hydride rNaH 1.887 ±0.000 1.929 0.043 1 2
SO+ sulfur monoxide cation rO=S 1.424   1.467 0.043 1 2
AsF Arsenic monofluoride rFAs 1.736 ±0.001 1.779 0.043 1 2
PS phosphorus sulfide rP=S 1.900   1.943 0.043 1 2
PO Phosphorus monoxide rP=O 1.476   1.520 0.044 1 2
B2 Boron diatomic rBB 1.590   1.634 0.044 1 2
OPCl Phosphorus oxychloride rP=O 1.462 ±0.011 1.506 0.044 1 2
LiO lithium oxide rLiO 1.688   1.733 0.044 1 2
S2 Sulfur diatomic rS=S 1.889   1.934 0.045 1 2
SiP Silicon monophosphide rSiP 2.078 ±0.002 2.123 0.045 1 2
SOF4 Sulfur tetrafluoride oxide rFS 1.596 ±0.003 1.643 0.047 1 3
SSO Disulfur monoxide rS=S 1.884   1.932 0.047 2 3
AlF Aluminum monofluoride rAlF 1.654 ±0.000 1.702 0.048 1 2
ClF Chlorine monofluoride rFCl 1.628 ±0.000 1.676 0.048 1 2
ClOF3 Chlorine trifluoride oxide rFCl 1.713 ±0.003 1.761 0.048 1 4
SO Sulfur monoxide rS=O 1.481   1.530 0.049 1 2
CFCl chlorofluoromethylene rCCl 1.714   1.764 0.050 1 3
SiO Silicon monoxide rSiO 1.510 ±0.000 1.560 0.050 1 2
SF4 Sulfur tetrafluoride rSF 1.646 ±0.003 1.697 0.051 1 2
F2SO Thionyl Fluoride rO=S 1.413 ±0.000 1.464 0.051 1 2
BeO beryllium oxide rBe=O 1.331   1.382 0.052 1 2
BrO Bromine monoxide rOBr 1.718   1.770 0.053 1 2
SiBr+ Silicon monobromide cation rSiBr 2.095 ±0.000 2.149 0.054 1 2
Li2 Lithium diatomic rLiLi 2.673   2.727 0.054 1 2
HSSSH trisulfane rSS 2.054 ±0.000 2.108 0.054 1 2
SiH2Cl2 dichlorosilane rSiCl 2.033 ±0.003 2.088 0.055 1 4
Cl2+ chlorine diatomic cation rClCl 1.892   1.946 0.055 1 2
SSO Disulfur monoxide rS=O 1.456   1.511 0.055 1 2
SiH3Cl chlorosilane rSiCl 2.051   2.106 0.056 1 2
HClO4 perchloric acid rO=Cl 1.414 ±0.001 1.470 0.056 1 2
SOF4 Sulfur tetrafluoride oxide rFS 1.539 ±0.003 1.596 0.057 1 5
SF4 Sulfur tetrafluoride rSF 1.545 ±0.003 1.602 0.057 1 4
BrCl Bromine monochloride rClBr 2.136 ±0.000 2.194 0.058 1 2
AlNC Aluminum isocyanide rAlN 1.855 ±0.005 1.913 0.058 1 2
Br2 Bromine diatomic rBrBr 2.281   2.340 0.059 1 2
GeCl Germanium monochloride rClGe 2.164 ±0.000 2.223 0.059 1 2
NaF sodium fluoride rNaF 1.926 ±0.000 1.985 0.059 1 2
SCl2 Sulfur dichloride rSCl 2.013 ±0.001 2.072 0.059 1 2
SF Monosulfur monofluoride rSF 1.599   1.659 0.060 1 2
SiH3F monofluorosilane rSiF 1.595   1.655 0.060 1 2
AlC Aluminum carbide rC=Al 1.955   2.016 0.061 1 2
NCl nitrogen monochloride rNCl 1.611 ±0.000 1.672 0.061 1 2
C2H6O2S Dimethyl sulfone rS=O 1.431 ±0.004 1.494 0.063 1 2
OPCl Phosphorus oxychloride rPCl 2.059 ±0.004 2.122 0.064 1 3
SiF2 Silicon difluoride rFSi 1.590 ±0.000 1.654 0.064 1 2
NaCl Sodium Chloride rNaCl 2.361 ±0.000 2.425 0.064 1 2
Cl2 Chlorine diatomic rClCl 1.988   2.052 0.064 1 2
LiCl lithium chloride rLiCl 2.021 ±0.000 2.085 0.064 1 2
GaAs Gallium arsenide rGa#As 2.530 ±0.020 2.595 0.065 1 2
PF2 Phosphorus difluoride rPF 1.579   1.645 0.065 1 2
GaBr Gallium monobromide rGaBr 2.352 ±0.000 2.418 0.066 1 2
SiF silicon monofluoride rSiF 1.604   1.670 0.066 1 2
F2SO Thionyl Fluoride rFS 1.585 ±0.000 1.652 0.066 1 3
HClO4 perchloric acid rOCl 1.641 ±0.002 1.707 0.066 1 3
SCl sulfur monochloride rSCl 1.975   2.042 0.066 1 2
SiCl Clorosilylidyne rSiCl 2.061 ±0.000 2.129 0.068 1 2
LiBr Lithium Bromide rLiBr 2.170 ±0.000 2.240 0.069 1 2
HSiCl Chlorosilylene rSiCl 2.067 ±0.003 2.136 0.069 1 2
ClOF3 Chlorine trifluoride oxide rFCl 1.603 ±0.004 1.675 0.072 1 3
C4H8O2 Ethyl acetate rCO 1.448   1.523 0.075 5 6
HClO4 perchloric acid rO=Cl 1.404 ±0.001 1.480 0.076 1 4
AlCl Aluminum monochloride rAlCl 2.130 ±0.000 2.209 0.079 1 2
AlBr Aluminum monobromide rAlBr 2.295   2.374 0.079 1 2
NaLi lithium sodium rLiNa 2.889   2.968 0.079 1 2
Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- rAlCl 2.040 ±0.040 2.318 0.278 1 3
C4H10O Methyl propyl ether rCH 1.099   1.422 0.323 1 2
299 molecules.