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Average Bond Length Differences by Model Chemistry

Calculated at CCSD(T)/cc-pVTZ

Species Name Bond type Bond Length (Å)
Experimental unc. Calculated Difference atom1 atom2
Si2 Silicon diatomic rSiSi 2.246   2.180 -0.066 1 2
C2Cl2 dichloroacetylene rC#C 1.246 ±0.030 1.209 -0.037 1 2
C2H2O2 Ethanedial rCH 1.132   1.103 -0.029 1 3
CH3CH2CH2CH3 Butane rCH 1.117   1.096 -0.021 1 5
CH3OCl methyl hypochlorite rCH 1.111 ±0.018 1.090 -0.021 3 4
LiOH lithium hydroxide rOH 0.969   0.950 -0.019 1 3
FNO2 Nitryl fluoride rNF 1.467 ±0.015 1.450 -0.017 1 2
AsF5 Arsenic pentafluoride rAsF 1.711 ±0.005 1.695 -0.016 1 5
HeH+ Helium hydride cation rHHe 0.790   0.776 -0.014 1 2
H2Cl+ dihydrogen monochloride cation rHCl 1.321 ±0.000 1.307 -0.014 1 2
HF+ hydrogen fluoride cation rHF 1.014   1.002 -0.013 1 2
CH3CH2CHO Propanal rCH 1.103   1.090 -0.013 1 6
AsH Arsenic monohydride rAsH 1.535 ±0.001 1.522 -0.013 1 2
B2H6 Diborane rBH 1.200   1.188 -0.012 1 5
HSe Selenium monohydride rSeH 1.475 ±0.010 1.464 -0.012 1 2
ArH+ Argon hydride cation rArH 1.292 ±0.000 1.281 -0.011 1 2
N2O3 Dinitrogen trioxide rN=O 1.217   1.206 -0.011 2 5
CH2NH Methanimine rCH 1.103   1.092 -0.011 1 3
CH3CH2CHO Propanal rCH 1.105   1.096 -0.009 2 8
HClO4 perchloric acid rOH 0.980   0.972 -0.008 3 6
HOCl hypochlorous acid rOH 0.973 ±0.002 0.965 -0.008 1 2
SiH2Cl2 dichlorosilane rSiH 1.480 ±0.015 1.472 -0.008 1 2
HCCl Chloromethylene rCH 1.119 ±0.036 1.111 -0.008 1 3
CH3CH2CHO Propanal rCH 1.115   1.108 -0.007 3 10
CH2PH Phosphaethene rCH 1.090 ±0.015 1.083 -0.007 1 3
CH2 Methylene rCH 1.085   1.078 -0.007 1 2
CH3CHO Acetaldehyde rCH 1.114   1.108 -0.006 1 4
NH4+ ammonium cation rHN 1.029 ±0.000 1.023 -0.006 1 2
NH2F monofluoroamine rNF 1.433   1.427 -0.006 1 2
HS+ sulfur monohydride cation rSH 1.374   1.368 -0.006 1 2
C2H2O2 Ethanedial rCC 1.526   1.520 -0.006 1 2
H2CSe Selenoformaldehyde rHC 1.090   1.085 -0.006 1 3
CH2PH Phosphaethene rCH 1.090 ±0.015 1.085 -0.005 1 4
CH3CH2CHO Propanal rCH 1.096   1.091 -0.005 1 5
B2H6 Diborane rBH 1.320   1.315 -0.005 1 3
CH3CCH propyne rCH 1.096   1.091 -0.005 1 5
KrH+ Protonated Krypton rHKr 1.421 ±0.000 1.416 -0.005 1 2
CH2CO Ketene rCH 1.083   1.078 -0.005 1 4
C2H Ethynyl radical rC#C 1.217   1.212 -0.005 1 2
CH3NH2 methyl amine rNH 1.018 ±0.001 1.014 -0.005 2 6
CHF3 Methane, trifluoro- rCH 1.091 ±0.014 1.087 -0.004 1 2
CH3NO nitrosomethane rCH 1.094   1.090 -0.004 1 4
CH3OC2H5 Ethane, methoxy- rCO 1.415 ±0.005 1.411 -0.004 1 2
C5H6 Propellane rCC 1.525 ±0.002 1.521 -0.004 1 2
CH3CH2SH ethanethiol rCH 1.095   1.092 -0.003 1 4
HBr+ hydrogen bromide cation rHBr 1.448   1.445 -0.003 1 2
CH2CHCH2CH3 1-Butene rCC 1.536   1.533 -0.003 1 2
CH3CHFCH3 2-Fluoropropane rCH 1.093 ±0.006 1.090 -0.003 4 8
CH3NH2 methyl amine rCN 1.471 ±0.003 1.469 -0.002 1 2
GeH germylidene rGeH 1.588   1.586 -0.002 1 2
CH3CH2CH2CH3 Butane rCC 1.531   1.529 -0.002 1 2
CH3CHFCH3 2-Fluoropropane rCH 1.094 ±0.005 1.092 -0.002 4 10
CBr4 Carbon tetrabromide rCBr 1.942 ±0.002 1.940 -0.002 1 2
C3H6 Cyclopropane rCH 1.083   1.081 -0.002 1 4
H2Se Hydrogen selenide rSeH 1.460   1.458 -0.002 1 2
C5H6 Propellane rCC 1.596 ±0.005 1.594 -0.002 2 5
C4H8 cyclobutane rCH 1.093   1.092 -0.001 1 5
C2H2ClF 1-chloro-1-fluoroethylene rCH 1.082 ±0.001 1.081 -0.001 2 5
CH2Cl2 Methylene chloride rCH 1.085 ±0.002 1.084 -0.001 1 2
CH3CHClCH3 Propane, 2-chloro- rCH 1.091   1.090 -0.001 2 5
HBr hydrogen bromide rHBr 1.414 ±0.000 1.413 -0.001 1 2
CH3OC2H5 Ethane, methoxy- rCH 1.099 ±0.007 1.098 -0.001 1 6
AsH3 Arsine rAsH 1.511 ±0.000 1.510 -0.001 1 2
CH3OC2H5 Ethane, methoxy- rCH 1.092 ±0.007 1.091 -0.001 4 11
He2+ helium diatomic cation rHeHe 1.081 ±0.001 1.080 -0.001 1 2
HSiCl Chlorosilylene rSiH 1.525 ±0.005 1.524 -0.001 1 3
C4H8 cyclobutane rCH 1.091   1.090 -0.001 1 6
CH3NO nitrosomethane rCH 1.092   1.091 -0.001 1 5
NO Nitric oxide rN=O 1.154 ±0.000 1.153 -0.001 1 2
NH2SH Thiohydroxylamine rSH 1.344 ±0.029 1.343 -0.001 2 3
C3H3NO Oxazole rCO 1.357 ±0.003 1.357 -0.001 1 2
CH3CH2SH ethanethiol rCH 1.092   1.092 0.000 1 5
C3H4 cyclopropene rCH 1.088   1.088 0.000 1 6
CH3OC2H5 Ethane, methoxy- rCH 1.100 ±0.003 1.100 0.000 3 8
CH3CH2SH ethanethiol rCH 1.090   1.090 0.000 2 7
HNO3 Nitric acid rNO 1.406   1.406 0.000 1 2
CH2CHF Ethene, fluoro- rCH 1.082   1.082 0.000 1 4
DF Hydrofluoric acid-d rDF 0.917 ±0.000 0.917 0.000 1 2
ClO Monochlorine monoxide rClO 1.596 ±0.001 1.596 0.000 1 2
AsF3 Arsenic trifluoride rAsF 1.706 ±0.002 1.706 0.000 1 2
CH3CH2CHO Propanal rCC 1.523   1.523 0.000 1 2
CH2NN diazomethane rCH 1.075   1.075 0.000 1 4
HF Hydrogen fluoride rHF 0.917 ±0.000 0.917 0.000 1 2
CH3CH2CHO Propanal rCC 1.509   1.509 0.000 2 3
OCSe Carbonyl selenide rC=O 1.159   1.159 0.000 1 2
C2H2 Acetylene rCH 1.063   1.064 0.001 1 3
HO2 Hydroperoxy radical rOH 0.971   0.971 0.001 1 3
BH3 boron trihydride rBH 1.190   1.191 0.001 1 2
C3H3NO Oxazole rCH 1.075 ±0.001 1.076 0.001 4 7
D2 Deuterium diatomic rDD 0.742   0.743 0.001 1 2
H2 Hydrogen diatomic rHH 0.741   0.743 0.001 1 2
HD Deuterium hydride rDH 0.741   0.743 0.001 1 2
C3H3NO Oxazole rCH 1.073 ±0.001 1.075 0.001 5 8
CH3CHClCH3 Propane, 2-chloro- rCH 1.092   1.093 0.001 3 6
GaF Gallium monofluoride rFGa 1.774 ±0.000 1.776 0.001 1 2
CH3CHFCH3 2-Fluoropropane rCH 1.092   1.094 0.002 1 3
C3H3NO Oxazole rCH 1.075 ±0.001 1.077 0.002 2 6
H2O Water rOH 0.958 ±0.000 0.959 0.002 1 2
DO Hydroxyl-d rDO 0.970   0.971 0.002 1 2
GeH3F monofluorogermane rGeF 1.731 ±0.000 1.733 0.002 1 2
OH Hydroxyl radical rOH 0.970   0.971 0.002 1 2
CF Fluoromethylidyne rCF 1.276   1.278 0.002 1 2
CH4 Methane rCH 1.087 ±0.001 1.089 0.002 1 2
SiH3F monofluorosilane rSiH 1.476   1.478 0.002 1 3
N3 azide radical rNN 1.181   1.183 0.002 1 2
C2H2+ acetylene cation rC=C 1.253 ±0.001 1.255 0.002 1 2
GaBr Gallium monobromide rGaBr 2.352 ±0.000 2.355 0.002 1 2
HOBr Hypobromous acid rBrO 1.834   1.836 0.002 2 3
FO Oxygen monofluoride rFO 1.354   1.356 0.002 1 2
GeF Germanium monofluoride rFGe 1.745   1.747 0.002 1 2
CH3CHO Acetaldehyde rCH 1.086   1.088 0.002 2 5
CH2NN diazomethane rC=N 1.300   1.302 0.002 1 2
CH3Br methyl bromide rCH 1.082 ±0.001 1.085 0.003 1 3
DCl Hydrochloric acid-d rDCl 1.275 ±0.000 1.277 0.003 1 2
SiH3Cl chlorosilane rSiH 1.475   1.478 0.003 1 3
HCl Hydrogen chloride rHCl 1.275 ±0.000 1.277 0.003 1 2
AsF Arsenic monofluoride rFAs 1.736 ±0.001 1.739 0.003 1 2
HCl+ hydrogen chloride cation rHCl 1.315   1.317 0.003 1 2
SiH4 Silane rSiH 1.480 ±0.000 1.483 0.003 1 2
CH3CCH propyne rCH 1.060   1.063 0.003 3 4
C2H2+ acetylene cation rCH 1.077 ±0.005 1.080 0.003 1 3
CH3OC2H5 Ethane, methoxy- rCH 1.089 ±0.008 1.092 0.003 4 10
C3H3NO Oxazole rCO 1.370 ±0.002 1.373 0.003 1 5
BH Boron monohydride rBH 1.232   1.235 0.003 1 2
NH Imidogen rNH 1.036   1.039 0.003 1 2
C3H4 cyclopropene rCH 1.072   1.075 0.003 2 4
CH3OC2H5 Ethane, methoxy- rCH 1.086 ±0.010 1.089 0.003 1 5
CH Methylidyne rCH 1.120   1.123 0.003 1 2
FNO2 Nitryl fluoride rN=O 1.180 ±0.005 1.183 0.003 1 3
NF nitrogen fluoride rNF 1.317   1.320 0.003 1 2
NO+ nitric oxide cation rN=O 1.066   1.069 0.003 1 2
OH- hydroxide anion rOH 0.964   0.968 0.004 1 2
CH2NN diazomethane rN=N 1.139   1.143 0.004 2 3
CBrClF2 Methane, bromochlorodifluoro- rCBr 1.932 ±0.004 1.936 0.004 1 2
LiNH2 lithium amide rLiN 1.736 ±0.003 1.740 0.004 1 2
SeO2 Selenium dioxide rSeO 1.607 ±0.001 1.611 0.004 1 2
F2 Fluorine diatomic rFF 1.412   1.416 0.004 1 2
CH2CHF Ethene, fluoro- rCH 1.077   1.081 0.004 2 5
CO+ carbon monoxide cation rC=O 1.115 ±0.000 1.119 0.004 1 2
HOBr Hypobromous acid rOH 0.961   0.965 0.004 1 2
CH3CHFCH3 2-Fluoropropane rCH 1.088 ±0.006 1.092 0.004 4 6
CH2F2 Methane, difluoro- rCF 1.351 ±0.001 1.355 0.004 1 4
CH3NH2 methyl amine rCH 1.093 ±0.000 1.097 0.004 1 3
O2+ diatomic oxygen cation rOO 1.116   1.121 0.004 1 2
N2O3 Dinitrogen trioxide rN=O 1.202   1.206 0.004 2 4
BF Boron monofluoride rBF 1.267 ±0.000 1.271 0.005 1 2
F2O Difluorine monoxide rFO 1.405   1.410 0.005 1 2
O2 Oxygen diatomic rO=O 1.208   1.212 0.005 1 2
CHF3 Methane, trifluoro- rCF 1.328 ±0.003 1.333 0.005 1 3
CCl2O Phosgene rC=O 1.177   1.182 0.005 1 2
CH2CO Ketene rC=O 1.162   1.167 0.005 2 3
CH2Br2 dibromomethane rCBr 1.925 ±0.002 1.930 0.005 1 4
ClCN chlorocyanogen rC#N 1.161   1.166 0.005 2 3
HS Mercapto radical rSH 1.341   1.346 0.005 1 2
SeO Selenium monoxide rSeO 1.639 ±0.001 1.645 0.005 1 2
DS Mercapto-d rSD 1.341   1.346 0.005 1 2
HO2 Hydroperoxy radical rOO 1.331   1.336 0.005 1 2
CH2F2 Methane, difluoro- rCH 1.084 ±0.003 1.090 0.006 1 2
H2CSe Selenoformaldehyde rC=Se 1.753   1.759 0.006 1 2
GeBr4 Germanium tetrabromide rGeBr 2.272 ±0.001 2.278 0.006 1 2
BF3 Borane, trifluoro- rBF 1.307   1.313 0.006 1 2
HNCNH diiminomethane rC=N 1.224 ±0.001 1.230 0.006 1 2
HS- mercapto anion rSH 1.343   1.349 0.006 1 2
CH3CH2O Ethoxy radical rCH 1.085   1.091 0.006 1 5
N2 Nitrogen diatomic rN#N 1.098   1.104 0.006 1 2
C2H3 vinyl rCH 1.085   1.091 0.006 2 4
CH3OCl methyl hypochlorite rCH 1.086 ±0.018 1.092 0.006 3 5
CH3Br methyl bromide rCBr 1.934 ±0.000 1.940 0.006 1 2
N2O3 Dinitrogen trioxide rN=O 1.142   1.148 0.006 1 3
CN- cyanide anion rC#N 1.177 ±0.004 1.183 0.006 1 2
SF4 Sulfur tetrafluoride rSF 1.646 ±0.003 1.653 0.007 1 2
CH3CH2O Ethoxy radical rCH 1.086   1.093 0.007 1 4
PH phosphorus monohydride rPH 1.422   1.429 0.007 1 2
PF5 Phosphorus pentafluoride rFP 1.577   1.584 0.007 1 5
BrF Bromine monofluoride rFBr 1.759 ±0.000 1.766 0.007 1 2
As4 Arsenic tetramer rAsAs 2.435   2.442 0.007 1 2
SiH+ silicon monohydride cation rSiH 1.504   1.511 0.007 1 2
GeH3F monofluorogermane rGeH 1.515 ±0.000 1.521 0.007 1 3
SeCl2 Selenium Dichloride rClSe 2.157 ±0.003 2.164 0.007 1 2
LiOH lithium hydroxide rLiO 1.582   1.588 0.007 1 2
GeF+ Germanium monofluoride cation rFGe 1.665 ±0.000 1.673 0.007 1 2
C2H2 Acetylene rC#C 1.203   1.210 0.007 1 2
BeH beryllium monohydride rBeH 1.343   1.350 0.007 1 2
SiH3+ Silyl cation rSiH 1.460 ±0.010 1.467 0.007 1 2
CO Carbon monoxide rC#O 1.128 ±0.000 1.136 0.008 1 2
GaAs Gallium arsenide rGa#As 2.530 ±0.020 2.538 0.008 1 2
BeH2 beryllium dihydride rBeH 1.326 ±0.000 1.334 0.008 1 2
SCSe Carbon sulfide selenide rC=Se 1.695 ±0.002 1.703 0.008 1 3
COBr2 Carbonic dibromide rC=O 1.172 ±0.003 1.180 0.008 1 2
CH3CSNH2 Ethanethioamide rC=S 1.647 ±0.002 1.655 0.008 1 2
SiC silicon monocarbide rCSi 1.722   1.730 0.008 1 2
C2 Carbon diatomic rC=C 1.243   1.251 0.008 1 2
SOCl2 thionyl chloride rS=O 1.443 ±0.006 1.451 0.008 1 2
SiH2F2 difluorosilane rSiH 1.462   1.470 0.008 1 4
NH3BF3 Amminetrifluoroboron rBN 1.673   1.682 0.009 1 2
OCSe Carbonyl selenide rC=Se 1.709   1.718 0.009 1 3
SiH Silylidyne rSiH 1.520   1.529 0.009 1 2
AlH aluminum monohydride rAlH 1.648   1.657 0.009 1 2
C3H6 Cyclopropane rCC 1.501   1.510 0.009 1 2
CH3OC2H5 Ethane, methoxy- rCO 1.407 ±0.004 1.416 0.009 2 3
BO boron monoxide rB=O 1.205   1.213 0.009 1 2
ClOF3 Chlorine trifluoride oxide rFCl 1.713 ±0.003 1.722 0.009 1 4
C2H6O2S Dimethyl sulfone rCS 1.777 ±0.006 1.786 0.009 1 4
SOF4 Sulfur tetrafluoride oxide rFS 1.596 ±0.003 1.605 0.009 1 3
SCSe Carbon sulfide selenide rC=S 1.553 ±0.002 1.562 0.009 1 2
SiP Silicon monophosphide rSiP 2.078 ±0.002 2.087 0.009 1 2
GeO Germanium monoxide rOGe 1.625   1.634 0.009 1 2
BN boron nitride rB=N 1.325   1.334 0.009 1 2
BCl boron monochloride rBCl 1.719 ±0.000 1.729 0.010 1 2
HClO4 perchloric acid rO=Cl 1.414 ±0.001 1.424 0.010 1 2
NH2CONH2 Urea rNH 0.998   1.008 0.010 4 8
CH2CHCH2CH3 1-Butene rCC 1.493   1.503 0.010 2 3
NSe Nitrogen monoselenide rN=Se 1.652   1.662 0.010 1 2
BeF Beryllium monofluoride rBeF 1.361   1.371 0.010 1 2
CH2Cl2 Methylene chloride rCCl 1.767 ±0.002 1.777 0.010 1 4
B2 Boron diatomic rBB 1.590   1.600 0.010 1 2
HCCl Chloromethylene rCCl 1.696 ±0.003 1.706 0.010 1 2
GeCl Germanium monochloride rClGe 2.164 ±0.000 2.174 0.010 1 2
MgO magnesium oxide rMgO 1.749   1.760 0.011 1 2
HOCl hypochlorous acid rClO 1.697 ±0.001 1.709 0.011 1 3
NS Mononitrogen monosulfide rNS 1.497 ±0.000 1.508 0.011 1 2
H2CS Thioformaldehyde rC=S 1.611   1.622 0.011 1 2
PS phosphorus sulfide rP=S 1.900   1.912 0.012 1 2
MgOH magnesium hydroxide rOH 0.940   0.952 0.012 1 3
BrO Bromine monoxide rOBr 1.718   1.730 0.012 1 2
F2SO Thionyl Fluoride rFS 1.585 ±0.000 1.598 0.012 1 3
PF5 Phosphorus pentafluoride rPF 1.534   1.546 0.012 1 2
SF Monosulfur monofluoride rSF 1.599   1.612 0.012 1 2
PF2 Phosphorus difluoride rPF 1.579   1.592 0.012 1 2
NS+ nitrogen sulfide cation rNS 1.440   1.453 0.013 1 2
AlNC Aluminum isocyanide rAlN 1.855 ±0.005 1.868 0.013 1 2
LiH Lithium Hydride rLiH 1.595 ±0.000 1.608 0.013 1 2
SiH3F monofluorosilane rSiF 1.595   1.608 0.013 1 2
BeO beryllium oxide rBe=O 1.331   1.344 0.013 1 2
CSe Carbon monoselenide rC=Se 1.676 ±0.000 1.690 0.014 1 2
As2 Arsenic diatomic rAs#As 2.103   2.116 0.014 1 2
MgH magnesium monohydride rMgH 1.730   1.744 0.014 1 2
Se2 Selenium diatomic rSe=Se 2.166 ±0.001 2.180 0.014 1 2
SF4 Sulfur tetrafluoride rSF 1.545 ±0.003 1.559 0.014 1 4
BS boron sulfide rBS 1.609   1.623 0.014 1 2
LiO lithium oxide rLiO 1.688   1.703 0.015 1 2
SOF4 Sulfur tetrafluoride oxide rFS 1.539 ±0.003 1.554 0.015 1 5
AsF5 Arsenic pentafluoride rAsF 1.656 ±0.004 1.671 0.015 1 2
CH3CH2O Ethoxy radical rCH 1.088   1.103 0.015 2 7
CS carbon monosulfide rC#S 1.535   1.550 0.015 1 2
CCl2O Phosgene rCCl 1.737   1.752 0.015 2 3
ClCN chlorocyanogen rCCl 1.629   1.644 0.015 1 2
SiF silicon monofluoride rSiF 1.604   1.620 0.016 1 2
BeCl beryllium monochloride rBeCl 1.797   1.813 0.016 1 2
HClO4 perchloric acid rOCl 1.641 ±0.002 1.657 0.016 1 3
GeS Germanium monosulfide rS=Ge 2.012 ±0.000 2.028 0.016 1 2
PN Phosphorus mononitride rP#N 1.491   1.507 0.016 1 2
ClF Chlorine monofluoride rFCl 1.628 ±0.000 1.645 0.017 1 2
C3H5 Allyl radical rCH 1.069   1.086 0.017 1 2
SiO Silicon monoxide rSiO 1.510 ±0.000 1.527 0.017 1 2
ScH Scandium monohydride rScH 1.775 ±0.000 1.792 0.017 1 2
CCl carbon monochloride rCCl 1.649   1.666 0.017 1 2
SiF2 Silicon difluoride rFSi 1.590 ±0.000 1.608 0.018 1 2
PF+ phosphorus monofluoride cation rFP 1.500   1.518 0.018 1 2
C2H Ethynyl radical rCH 1.047   1.065 0.018 1 3
SiH3Cl chlorosilane rSiCl 2.051   2.069 0.018 1 2
PO Phosphorus monoxide rP=O 1.476   1.495 0.019 1 2
CCl2 dichloromethylene rCCl 1.711   1.730 0.019 1 2
MgH+ magnesium monohydride cation rMgH 1.652   1.671 0.019 1 2
SO Sulfur monoxide rS=O 1.481   1.501 0.019 1 2
BeS beryllium sulfide rBe=S 1.742   1.761 0.020 1 2
LiF lithium fluoride rLiF 1.564 ±0.000 1.584 0.020 1 2
SSO Disulfur monoxide rS=O 1.456   1.477 0.020 1 2
F2SO Thionyl Fluoride rO=S 1.413 ±0.000 1.433 0.021 1 2
PO- phosphorus monoxide anion rOP 1.540   1.561 0.021 1 2
Br2 Bromine diatomic rBrBr 2.281   2.302 0.021 1 2
LiCl lithium chloride rLiCl 2.021 ±0.000 2.042 0.021 1 2
SiH2Cl2 dichlorosilane rSiCl 2.033 ±0.003 2.054 0.021 1 4
C2H6O2S Dimethyl sulfone rS=O 1.431 ±0.004 1.453 0.022 1 2
AlF Aluminum monofluoride rAlF 1.654 ±0.000 1.677 0.022 1 2
SiCl Clorosilylidyne rSiCl 2.061 ±0.000 2.084 0.022 1 2
TiCl Titanium Monochloride rClTi 2.265 ±0.000 2.287 0.022 1 2
P2 Phosphorus diatomic rP#P 1.893   1.916 0.022 1 2
BrCl Bromine monochloride rClBr 2.136 ±0.000 2.159 0.022 1 2
AlC Aluminum carbide rC=Al 1.955   1.978 0.023 1 2
LiBr Lithium Bromide rLiBr 2.170 ±0.000 2.194 0.023 1 2
AlCl Aluminum monochloride rAlCl 2.130 ±0.000 2.154 0.023 1 2
SiS silicon monosulfide rSiS 1.929 ±0.000 1.953 0.024 1 2
S2+ sulfur diatomic cation rS=S 1.825 ±0.010 1.849 0.024 1 2
AlO Aluminum monoxide rAlO 1.618   1.642 0.024 1 2
AlN Aluminum nitride rN#Al 1.786   1.811 0.024 1 2
HSiCl Chlorosilylene rSiCl 2.067 ±0.003 2.092 0.025 1 2
HSSSH trisulfane rSS 2.054 ±0.000 2.080 0.026 1 2
ClOF3 Chlorine trifluoride oxide rFCl 1.603 ±0.004 1.629 0.026 1 3
AlS Aluminum sulfide rAlS 2.029   2.055 0.026 1 2
MgS magnesium sulfide rMgS 2.143   2.169 0.026 1 2
S2 Sulfur diatomic rS=S 1.889   1.916 0.026 1 2
Li2 Lithium diatomic rLiLi 2.673   2.700 0.027 1 2
SCl2 Sulfur dichloride rSCl 2.013 ±0.001 2.041 0.028 1 2
HClO4 perchloric acid rO=Cl 1.404 ±0.001 1.433 0.029 1 4
Cl2 Chlorine diatomic rClCl 1.988   2.018 0.030 1 2
SCl sulfur monochloride rSCl 1.975   2.005 0.030 1 2
SSO Disulfur monoxide rS=S 1.884   1.916 0.032 2 3
MgOH magnesium hydroxide rMgO 1.767   1.799 0.032 1 2
NaH sodium hydride rNaH 1.887 ±0.000 1.923 0.037 1 2
C2Cl2 dichloroacetylene rCCl 1.612 ±0.030 1.649 0.037 1 3
CFCl chlorofluoromethylene rCCl 1.714   1.757 0.043 1 3
NaCl Sodium Chloride rNaCl 2.361 ±0.000 2.405 0.044 1 2
NaBr Sodium Bromide rNaBr 2.502 ±0.000 2.548 0.046 1 2
CaH Calcium monohydride rCaH 2.003 ±0.000 2.053 0.051 1 2
NaF sodium fluoride rNaF 1.926 ±0.000 1.979 0.053 1 2
NaLi lithium sodium rLiNa 2.889   2.951 0.062 1 2
CaO Calcium monoxide rOCa 1.822   1.927 0.105 1 2
Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- rAlCl 2.040 ±0.040 2.281 0.241 1 3
309 molecules.