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Release 22May 2022
NIST Standard Reference Database 101
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IV.D.8.

Average Bond Length Differences by Model Chemistry

Calculated at HSEh1PBE/6-31G(2df,p)

Species Name Bond type Bond Length (Å)
Experimental unc. Calculated Difference atom1 atom2
C4H10O Methyl propyl ether rCC 1.530   1.095 -0.435 5 13
As4 Arsenic tetramer rAsAs 2.435   2.368 -0.067 1 2
GaAs Gallium arsenide rGa#As 2.530 ±0.020 2.470 -0.060 1 2
FNO2 Nitryl fluoride rNF 1.467 ±0.015 1.421 -0.046 1 2
Se2 Selenium diatomic rSe=Se 2.166 ±0.001 2.126 -0.040 1 2
F2 Fluorine diatomic rFF 1.412   1.372 -0.040 1 2
NaF sodium fluoride rNaF 1.926 ±0.000 1.889 -0.037 1 2
C5H8O Methyl cyclopropyl ketone rCH 1.126   1.090 -0.036 3 7
ScH Scandium monohydride rScH 1.775 ±0.000 1.741 -0.034 1 2
HOBr Hypobromous acid rBrO 1.834   1.802 -0.032 2 3
C5H6 Propellane rCC 1.596 ±0.005 1.566 -0.030 2 5
CBr4 Carbon tetrabromide rCBr 1.942 ±0.002 1.912 -0.030 1 2
FO Oxygen monofluoride rFO 1.354   1.326 -0.028 1 2
C3F6 hexafluoropropene rCF 1.329 ±0.003 1.301 -0.028 1 4
SeCl2 Selenium Dichloride rClSe 2.157 ±0.003 2.131 -0.026 1 2
TiCl Titanium Monochloride rClTi 2.265 ±0.000 2.241 -0.024 1 2
C9H8 Indene rCC 1.415 ±0.170 1.392 -0.023 1 2
HNO3 Nitric acid rNO 1.406   1.384 -0.022 1 2
HO2 Hydroperoxy radical rOO 1.331   1.309 -0.022 1 2
C2H2O2 Ethanedial rCH 1.132   1.110 -0.022 1 3
BrF Bromine monofluoride rFBr 1.759 ±0.000 1.737 -0.022 1 2
LiOH lithium hydroxide rOH 0.969   0.948 -0.021 1 3
GaBr Gallium monobromide rGaBr 2.352 ±0.000 2.331 -0.021 1 2
ClO Monochlorine monoxide rClO 1.596 ±0.001 1.576 -0.020 1 2
CH3Br methyl bromide rCBr 1.934 ±0.000 1.914 -0.020 1 2
H2CSe Selenoformaldehyde rC=Se 1.753   1.734 -0.020 1 2
CH2Br2 dibromomethane rCBr 1.925 ±0.002 1.906 -0.019 1 4
C4H6 Bicyclo[1.1.0]butane rCC 1.497   1.478 -0.019 1 2
CH3CH2CH2CH3 Butane rCH 1.117   1.098 -0.019 1 5
GeBr4 Germanium tetrabromide rGeBr 2.272 ±0.001 2.253 -0.019 1 2
CH3OC2H5 Ethane, methoxy- rCO 1.415 ±0.005 1.397 -0.018 1 2
OCSe Carbonyl selenide rC=Se 1.709   1.691 -0.018 1 3
AsF Arsenic monofluoride rFAs 1.736 ±0.001 1.718 -0.018 1 2
BrO Bromine monoxide rOBr 1.718   1.700 -0.018 1 2
CSe2 Carbon diselenide rC=Se 1.692 ±0.000 1.674 -0.018 1 2
Br2 Bromine diatomic rBrBr 2.281   2.264 -0.017 1 2
CH3OCl methyl hypochlorite rCH 1.111 ±0.018 1.094 -0.017 3 4
C4H8O2 Ethyl acetate rCH 1.105   1.089 -0.016 1 7
CH3NH2 methyl amine rCN 1.471 ±0.003 1.455 -0.016 1 2
SCSe Carbon sulfide selenide rC=Se 1.695 ±0.002 1.680 -0.015 1 3
NSe Nitrogen monoselenide rN=Se 1.652   1.636 -0.015 1 2
C10H8 Azulene rC:C 1.414   1.399 -0.015 7 9
C5H6 Propellane rCC 1.525 ±0.002 1.511 -0.014 1 2
CH3OCH3 Dimethyl ether rCO 1.411 ±0.001 1.397 -0.014 1 2
O2+ diatomic oxygen cation rOO 1.116   1.103 -0.014 1 2
SeO2 Selenium dioxide rSeO 1.607 ±0.001 1.594 -0.013 1 2
C2H Ethynyl radical rC#C 1.217   1.204 -0.013 1 2
GeF Germanium monofluoride rFGe 1.745   1.733 -0.013 1 2
O2 Oxygen diatomic rO=O 1.208   1.195 -0.013 1 2
C5H8 Ethenylcyclopropane rCH 1.099   1.086 -0.013 1 6
SeO Selenium monoxide rSeO 1.639 ±0.001 1.627 -0.012 1 2
BrCl Bromine monochloride rClBr 2.136 ±0.000 2.124 -0.012 1 2
HOCl hypochlorous acid rClO 1.697 ±0.001 1.686 -0.012 1 3
LiNH2 lithium amide rLiN 1.736 ±0.003 1.725 -0.011 1 2
H2Cl+ dihydrogen monochloride cation rHCl 1.321 ±0.000 1.310 -0.011 1 2
C3H3NO Oxazole rCO 1.357 ±0.003 1.347 -0.011 1 2
HSe Selenium monohydride rSeH 1.475 ±0.010 1.465 -0.010 1 2
CH3CH2CHO Propanal rCH 1.103   1.093 -0.010 1 6
HClO4 perchloric acid rOH 0.980   0.970 -0.010 3 6
SiC silicon monocarbide rCSi 1.722   1.712 -0.010 1 2
C3H3NO Oxazole rCO 1.370 ±0.002 1.360 -0.010 1 5
LiBr Lithium Bromide rLiBr 2.170 ±0.000 2.161 -0.010 1 2
BeO beryllium oxide rBe=O 1.331   1.322 -0.009 1 2
KrH+ Protonated Krypton rHKr 1.421 ±0.000 1.413 -0.009 1 2
NO Nitric oxide rN=O 1.154 ±0.000 1.145 -0.009 1 2
HOCl hypochlorous acid rOH 0.973 ±0.002 0.965 -0.009 1 2
B2H6 Diborane rBH 1.200   1.191 -0.009 1 5
CF Fluoromethylidyne rCF 1.276   1.268 -0.008 1 2
AsH Arsenic monohydride rAsH 1.535 ±0.001 1.526 -0.008 1 2
C8H8 cubane rCH 1.097   1.090 -0.007 1 9
PN Phosphorus mononitride rP#N 1.491   1.483 -0.007 1 2
CH2CHCH2CH3 1-Butene rCC 1.536   1.529 -0.007 1 2
HF+ hydrogen fluoride cation rHF 1.014   1.007 -0.007 1 2
N3 azide radical rNN 1.181   1.174 -0.007 1 2
OCSe Carbonyl selenide rC=O 1.159   1.152 -0.007 1 2
AlNC Aluminum isocyanide rAlN 1.855 ±0.005 1.848 -0.007 1 2
GeCl Germanium monochloride rClGe 2.164 ±0.000 2.157 -0.007 1 2
C10H8 Azulene rC:C 1.398   1.391 -0.007 1 3
CH2F2 Methane, difluoro- rCF 1.351 ±0.001 1.344 -0.007 1 4
H2CS Thioformaldehyde rC=S 1.611   1.604 -0.007 1 2
CH3CH2CH2CH3 Butane rCC 1.531   1.524 -0.007 1 2
C2H2+ acetylene cation rC=C 1.253 ±0.001 1.246 -0.007 1 2
NO+ nitric oxide cation rN=O 1.066   1.059 -0.006 1 2
C2H2O2 Ethanedial rCC 1.526   1.520 -0.006 1 2
GeH3F monofluorogermane rGeF 1.731 ±0.000 1.725 -0.006 1 2
BF Boron monofluoride rBF 1.267 ±0.000 1.261 -0.006 1 2
ClOF3 Chlorine trifluoride oxide rFCl 1.713 ±0.003 1.707 -0.006 1 4
ArH+ Argon hydride cation rArH 1.292 ±0.000 1.286 -0.006 1 2
CH3CH2CHO Propanal rCC 1.509   1.503 -0.006 2 3
P2 Phosphorus diatomic rP#P 1.893   1.888 -0.006 1 2
C4H8O2 Ethyl acetate rCC 1.515   1.509 -0.006 5 6
C10H8 Azulene rC:C 1.405 ±0.001 1.399 -0.006 2 9
CH2NH Methanimine rCH 1.103   1.097 -0.006 1 3
CN Cyano radical rC#N 1.172   1.166 -0.005 1 2
C5H8 Ethenylcyclopropane rCC 1.475   1.470 -0.005 1 2
SCSe Carbon sulfide selenide rC=S 1.553 ±0.002 1.548 -0.005 1 2
CH3CH2CHO Propanal rCC 1.523   1.518 -0.005 1 2
HBr hydrogen bromide rHBr 1.414 ±0.000 1.409 -0.005 1 2
CH3CH2CHO Propanal rCH 1.105   1.100 -0.005 2 8
CH3NH2 methyl amine rNH 1.018 ±0.001 1.013 -0.005 2 6
C4H8O2 Ethyl acetate rCC 1.508   1.503 -0.005 1 2
GeS Germanium monosulfide rS=Ge 2.012 ±0.000 2.007 -0.005 1 2
CH2PH Phosphaethene rCH 1.090 ±0.015 1.085 -0.005 1 3
BN boron nitride rB=N 1.325   1.320 -0.005 1 2
NH4+ ammonium cation rHN 1.029 ±0.000 1.024 -0.005 1 2
CF3COOH trifluoroacetic acid rCC 1.546 ±0.005 1.541 -0.005 1 2
HS+ sulfur monohydride cation rSH 1.374   1.370 -0.005 1 2
CH3OC2H5 Ethane, methoxy- rCO 1.407 ±0.004 1.403 -0.004 2 3
CH2 Methylene rCH 1.085   1.081 -0.004 1 2
CH3CH2OH Ethanol rCH 1.098   1.094 -0.004 1 6
PF5 Phosphorus pentafluoride rFP 1.577   1.573 -0.004 1 5
HBr+ hydrogen bromide cation rHBr 1.448   1.444 -0.004 1 2
C3H6O 2-Propen-1-ol rCH 1.091 ±0.010 1.087 -0.004 3 9
HClO4 perchloric acid rOCl 1.641 ±0.002 1.637 -0.004 1 3
CO+ carbon monoxide cation rC=O 1.115 ±0.000 1.111 -0.004 1 2
FNO2 Nitryl fluoride rN=O 1.180 ±0.005 1.176 -0.004 1 3
C2H2 Acetylene rC#C 1.203   1.199 -0.004 1 2
HNCNH diiminomethane rC=N 1.224 ±0.001 1.221 -0.004 1 2
HClO4 perchloric acid rO=Cl 1.414 ±0.001 1.410 -0.004 1 2
HeH+ Helium hydride cation rHHe 0.790   0.786 -0.004 1 2
SiH2Cl2 dichlorosilane rSiH 1.480 ±0.015 1.476 -0.004 1 2
C4H8O2 Ethyl acetate rCO 1.345   1.342 -0.003 2 3
C3H6O 2-Propen-1-ol rCH 1.092 ±0.010 1.089 -0.003 2 7
CH3CH2CHO Propanal rCH 1.096   1.093 -0.003 1 5
SO+ sulfur monoxide cation rO=S 1.424   1.421 -0.003 1 2
SiP Silicon monophosphide rSiP 2.078 ±0.002 2.075 -0.003 1 2
CH2PH Phosphaethene rCH 1.090 ±0.015 1.087 -0.003 1 4
CSe Carbon monoselenide rC=Se 1.676 ±0.000 1.673 -0.003 1 2
NS Mononitrogen monosulfide rNS 1.497 ±0.000 1.494 -0.003 1 2
BO boron monoxide rB=O 1.205   1.202 -0.003 1 2
HCCl Chloromethylene rCH 1.119 ±0.036 1.116 -0.003 1 3
GeH germylidene rGeH 1.588   1.586 -0.002 1 2
GaF Gallium monofluoride rFGa 1.774 ±0.000 1.772 -0.002 1 2
B2H6 Diborane rBH 1.320   1.318 -0.002 1 3
CH2CO Ketene rCH 1.083   1.080 -0.002 1 4
CH2CO Ketene rC=O 1.162   1.160 -0.002 2 3
NaCl Sodium Chloride rNaCl 2.361 ±0.000 2.359 -0.002 1 2
C5H8O Methyl cyclopropyl ketone rCC 1.510   1.508 -0.002 2 3
SF Monosulfur monofluoride rSF 1.599   1.598 -0.002 1 2
N2 Nitrogen diatomic rN#N 1.098   1.096 -0.002 1 2
CHF3 Methane, trifluoro- rCF 1.328 ±0.003 1.327 -0.001 1 3
H2CSe Selenoformaldehyde rHC 1.090   1.089 -0.001 1 3
CH3CCH propyne rCH 1.096   1.095 -0.001 1 5
C3F6 hexafluoropropene rC=C 1.329 ±0.003 1.328 -0.001 1 2
ClF Chlorine monofluoride rFCl 1.628 ±0.000 1.627 -0.001 1 2
HF Hydrogen fluoride rHF 0.917 ±0.000 0.916 -0.001 1 2
SF4 Sulfur tetrafluoride rSF 1.646 ±0.003 1.645 -0.001 1 2
C3H6 Cyclopropane rCC 1.501   1.500 -0.001 1 2
BF3 Borane, trifluoro- rBF 1.307   1.306 -0.001 1 2
CN- cyanide anion rC#N 1.177 ±0.004 1.176 -0.001 1 2
C4H8O2 Ethyl acetate rC=O 1.203   1.202 -0.001 2 4
SiO Silicon monoxide rSiO 1.510 ±0.000 1.509 -0.001 1 2
CH3NO nitrosomethane rCH 1.094   1.093 -0.001 1 4
PS phosphorus sulfide rP=S 1.900   1.899 -0.001 1 2
CH3CH2CHO Propanal rCH 1.115   1.115 0.000 3 10
OPCl Phosphorus oxychloride rP=O 1.462 ±0.011 1.462 0.000 1 2
CH3CHS Thioacetaldehyde rCH 1.098   1.098 0.000 2 6
CH3CHFCH3 2-Fluoropropane rCH 1.093 ±0.006 1.093 0.000 4 8
AlBr Aluminum monobromide rAlBr 2.295   2.295 0.000 1 2
CH2Cl2 Methylene chloride rCCl 1.767 ±0.002 1.767 0.000 1 4
LiF lithium fluoride rLiF 1.564 ±0.000 1.564 0.000 1 2
CO Carbon monoxide rC#O 1.128 ±0.000 1.129 0.000 1 2
CH3CHFCH3 2-Fluoropropane rCH 1.094 ±0.005 1.094 0.000 4 10
SOF4 Sulfur tetrafluoride oxide rFS 1.596 ±0.003 1.596 0.000 1 3
C2H2ClF 1-chloro-1-fluoroethylene rCH 1.082 ±0.001 1.082 0.000 2 5
LiOH lithium hydroxide rLiO 1.582   1.582 0.000 1 2
CH3CHS Thioacetaldehyde rCH 1.090   1.091 0.001 2 5
HCCl Chloromethylene rCCl 1.696 ±0.003 1.697 0.001 1 2
C2H2 Acetylene rCH 1.063   1.064 0.001 1 3
CH3CHO Acetaldehyde rCH 1.114   1.115 0.001 1 4
CH3CSNH2 Ethanethioamide rC=S 1.647 ±0.002 1.648 0.001 1 2
H2O Water rOH 0.958 ±0.000 0.959 0.001 1 2
CF3COOH trifluoroacetic acid rC=O 1.192 ±0.003 1.193 0.001 2 4
C4H8 cyclobutane rCH 1.093   1.094 0.001 1 5
C10H8 naphthalene rC:C 1.410   1.411 0.001 2 3
C3H8 Propane rCH 1.096   1.097 0.001 1 4
SSO Disulfur monoxide rS=O 1.456   1.457 0.001 1 2
Cl2 Chlorine diatomic rClCl 1.988   1.989 0.001 1 2
CH3OC2H5 Ethane, methoxy- rCH 1.092 ±0.007 1.093 0.001 4 11
HSSSH trisulfane rSS 2.054 ±0.000 2.055 0.001 1 2
C3H6 Cyclopropane rCH 1.083   1.084 0.001 1 4
NaH sodium hydride rNaH 1.887 ±0.000 1.888 0.001 1 2
H2Se Hydrogen selenide rSeH 1.460   1.462 0.002 1 2
Cl2+ chlorine diatomic cation rClCl 1.892   1.893 0.002 1 2
PO Phosphorus monoxide rP=O 1.476   1.478 0.002 1 2
C4H8 cyclobutane rCH 1.091   1.093 0.002 1 6
CH3CHClCH3 Propane, 2-chloro- rCH 1.091   1.093 0.002 2 5
CHONH2 formamide rNH 1.001   1.003 0.002 3 6
C3H6O 2-Propen-1-ol rCH 1.102 ±0.020 1.104 0.002 1 6
GeO Germanium monoxide rOGe 1.625   1.627 0.002 1 2
SiH3F monofluorosilane rSiF 1.595   1.597 0.002 1 2
H2 Hydrogen diatomic rHH 0.741   0.744 0.002 1 2
CH2Cl2 Methylene chloride rCH 1.085 ±0.002 1.087 0.002 1 2
AlF Aluminum monofluoride rAlF 1.654 ±0.000 1.657 0.002 1 2
OH Hydroxyl radical rOH 0.970   0.972 0.002 1 2
C10H8 Azulene rCH 1.080   1.082 0.003 9 17
CH2CHCH2CH3 1-Butene rCC 1.493   1.496 0.003 2 3
C10H8 Azulene rCH 1.084   1.087 0.003 4 14
HOBr Hypobromous acid rOH 0.961   0.964 0.003 1 2
SiF silicon monofluoride rSiF 1.604   1.607 0.003 1 2
CH3CCH propyne rCH 1.060   1.063 0.003 3 4
HO2 Hydroperoxy radical rOH 0.971   0.974 0.003 1 3
CH3NO nitrosomethane rCH 1.092   1.095 0.003 1 5
CH3OCH3 Dimethyl ether rCH 1.099 ±0.001 1.102 0.003 2 6
CH3OC2H5 Ethane, methoxy- rCH 1.099 ±0.007 1.102 0.003 1 6
NO- nitric oxide anion rN=O 1.258 ±0.010 1.261 0.003 1 2
C3H3NO Oxazole rCH 1.073 ±0.001 1.077 0.003 5 8
C2H6O2S Dimethyl sulfone rCS 1.777 ±0.006 1.780 0.003 1 4
C3H3NO Oxazole rCH 1.075 ±0.001 1.079 0.004 4 7
F2SO Thionyl Fluoride rFS 1.585 ±0.000 1.589 0.004 1 3
CH3CHClCH3 Propane, 2-chloro- rCH 1.092   1.096 0.004 3 6
SCl sulfur monochloride rSCl 1.975   1.979 0.004 1 2
C3H3NO Oxazole rCH 1.075 ±0.001 1.079 0.004 2 6
SiBr+ Silicon monobromide cation rSiBr 2.095 ±0.000 2.099 0.004 1 2
CH4 Methane rCH 1.087 ±0.001 1.091 0.004 1 2
NH2SH Thiohydroxylamine rSH 1.344 ±0.029 1.348 0.004 2 3
C3H4 cyclopropene rCH 1.072   1.076 0.004 2 4
CH3OC2H5 Ethane, methoxy- rCH 1.100 ±0.003 1.104 0.004 3 8
PF2 Phosphorus difluoride rPF 1.579   1.584 0.005 1 2
CH3OC2H5 Ethane, methoxy- rCH 1.089 ±0.008 1.094 0.005 4 10
CH2CHF Ethene, fluoro- rCH 1.082   1.087 0.005 1 4
BH3 boron trihydride rBH 1.190   1.195 0.005 1 2
C3H4 cyclopropene rCH 1.088   1.093 0.005 1 6
CH3CHO Acetaldehyde rCH 1.086   1.091 0.005 2 5
HS- mercapto anion rSH 1.343   1.348 0.005 1 2
CHONH2 formamide rNH 1.001   1.006 0.005 3 5
C2H2+ acetylene cation rCH 1.077 ±0.005 1.082 0.005 1 3
CHF3 Methane, trifluoro- rCH 1.091 ±0.014 1.096 0.005 1 2
HCl Hydrogen chloride rHCl 1.275 ±0.000 1.280 0.005 1 2
AlC Aluminum carbide rC=Al 1.955   1.960 0.005 1 2
SCl2 Sulfur dichloride rSCl 2.013 ±0.001 2.018 0.005 1 2
SiS silicon monosulfide rSiS 1.929 ±0.000 1.935 0.005 1 2
S2 Sulfur diatomic rS=S 1.889   1.895 0.006 1 2
HSiCl Chlorosilylene rSiH 1.525 ±0.005 1.531 0.006 1 3
CH3CH2OH Ethanol rCH 1.088   1.094 0.006 1 5
C3H6O 2-Propen-1-ol rCH 1.096 ±0.030 1.102 0.006 1 5
GeF+ Germanium monofluoride cation rFGe 1.665 ±0.000 1.671 0.006 1 2
SiH4 Silane rSiH 1.480 ±0.000 1.486 0.006 1 2
CH3CHFCH3 2-Fluoropropane rCH 1.088 ±0.006 1.094 0.006 4 6
CH3CHS Thioacetaldehyde rCH 1.089   1.095 0.006 1 4
SO Sulfur monoxide rS=O 1.481   1.487 0.006 1 2
HCl+ hydrogen chloride cation rHCl 1.315   1.321 0.006 1 2
CH2CHF Ethene, fluoro- rCH 1.077   1.083 0.006 2 5
CH3Br methyl bromide rCH 1.082 ±0.001 1.089 0.006 1 3
HS Mercapto radical rSH 1.341   1.347 0.006 1 2
CrH Chromium hydride rHCr 1.655 ±0.001 1.662 0.007 1 2
C10H8 Azulene rC:C 1.484   1.491 0.007 7 8
BeH2 beryllium dihydride rBeH 1.326 ±0.000 1.333 0.007 1 2
SiH3Cl chlorosilane rSiH 1.475   1.482 0.007 1 3
CH3OC2H5 Ethane, methoxy- rCH 1.086 ±0.010 1.093 0.007 1 5
C10H8 Azulene rCH 1.083   1.089 0.007 5 15
C10H8 Azulene rCH 1.081   1.088 0.007 1 11
C3H6O 2-Propen-1-ol rCH 1.078 ±0.010 1.085 0.007 3 8
SSO Disulfur monoxide rS=S 1.884   1.891 0.007 2 3
LiO lithium oxide rLiO 1.688   1.695 0.007 1 2
OH- hydroxide anion rOH 0.964   0.971 0.007 1 2
AsH3 Arsine rAsH 1.511 ±0.000 1.518 0.007 1 2
CH3CHFCH3 2-Fluoropropane rCH 1.092   1.099 0.007 1 3
CH3OCH3 Dimethyl ether rCH 1.085 ±0.001 1.093 0.008 2 4
SiF2 Silicon difluoride rFSi 1.590 ±0.000 1.598 0.008 1 2
NCl nitrogen monochloride rNCl 1.611 ±0.000 1.619 0.008 1 2
BeH beryllium monohydride rBeH 1.343   1.351 0.008 1 2
SiH3F monofluorosilane rSiH 1.476   1.484 0.008 1 3
C10H8 Azulene rC:C 1.377   1.386 0.008 5 7
C2H3 vinyl rCH 1.085   1.093 0.008 2 4
CH3CH2O Ethoxy radical rCH 1.085   1.093 0.008 1 5
CH3CH2O Ethoxy radical rCH 1.086   1.095 0.009 1 4
PH phosphorus monohydride rPH 1.422   1.431 0.009 1 2
C2 Carbon diatomic rC=C 1.243   1.252 0.009 1 2
NH2CONH2 Urea rNH 0.998   1.007 0.009 4 8
CH3NH2 methyl amine rCH 1.093 ±0.000 1.102 0.010 1 3
PF5 Phosphorus pentafluoride rPF 1.534   1.544 0.010 1 2
CH3OCl methyl hypochlorite rCH 1.086 ±0.018 1.096 0.010 3 5
C2H6O2S Dimethyl sulfone rS=O 1.431 ±0.004 1.441 0.010 1 2
GeH3F monofluorogermane rGeH 1.515 ±0.000 1.524 0.010 1 3
SiH3Cl chlorosilane rSiCl 2.051   2.061 0.010 1 2
CH Methylidyne rCH 1.120   1.131 0.011 1 2
F2SO Thionyl Fluoride rO=S 1.413 ±0.000 1.424 0.012 1 2
SOF4 Sulfur tetrafluoride oxide rFS 1.539 ±0.003 1.551 0.012 1 5
C3O2 Carbon suboxide rC=O 1.146   1.159 0.013 2 4
SF4 Sulfur tetrafluoride rSF 1.545 ±0.003 1.558 0.013 1 4
SiH3+ Silyl cation rSiH 1.460 ±0.010 1.473 0.013 1 2
SiH Silylidyne rSiH 1.520   1.533 0.013 1 2
SiCl Clorosilylidyne rSiCl 2.061 ±0.000 2.075 0.013 1 2
CH2F2 Methane, difluoro- rCH 1.084 ±0.003 1.098 0.014 1 2
ClOF3 Chlorine trifluoride oxide rFCl 1.603 ±0.004 1.617 0.014 1 3
SiH2Cl2 dichlorosilane rSiCl 2.033 ±0.003 2.048 0.015 1 4
HClO4 perchloric acid rO=Cl 1.404 ±0.001 1.419 0.015 1 4
LiCl lithium chloride rLiCl 2.021 ±0.000 2.036 0.015 1 2
MgH magnesium monohydride rMgH 1.730   1.745 0.015 1 2
OPCl Phosphorus oxychloride rPCl 2.059 ±0.004 2.074 0.016 1 3
SiH2F2 difluorosilane rSiH 1.462   1.478 0.016 1 4
CH3CH2OH Ethanol rCH 1.086   1.102 0.016 2 8
BH Boron monohydride rBH 1.232   1.249 0.017 1 2
SiH+ silicon monohydride cation rSiH 1.504   1.521 0.017 1 2
AlCl Aluminum monochloride rAlCl 2.130 ±0.000 2.148 0.018 1 2
HSiCl Chlorosilylene rSiCl 2.067 ±0.003 2.085 0.018 1 2
KH Potassium hydride rKH 2.243 ±0.001 2.260 0.018 1 2
C2H Ethynyl radical rCH 1.047   1.065 0.018 1 3
C3H5 Allyl radical rCH 1.069   1.089 0.020 1 2
NH3BF3 Amminetrifluoroboron rBN 1.673   1.694 0.021 1 2
C3O2 Carbon suboxide rC=C 1.251   1.272 0.021 1 2
CH3CH2O Ethoxy radical rCH 1.088   1.109 0.021 2 7
C5H8O Cyclopentanone rCC 1.504   1.526 0.022 2 3
B2 Boron diatomic rBB 1.590   1.617 0.027 1 2
LiH Lithium Hydride rLiH 1.595 ±0.000 1.624 0.029 1 2
NaLi lithium sodium rLiNa 2.889   2.919 0.030 1 2
CFCl chlorofluoromethylene rCCl 1.714   1.762 0.048 1 3
He2+ helium diatomic cation rHeHe 1.081 ±0.001 1.134 0.053 1 2
CaBr Calcium monobromide rCaBr 2.594 ±0.000 2.650 0.056 1 2
CaC Calcium monocarbide rC#Ca 2.302   2.361 0.060 1 2
C4H8O2 Ethyl acetate rCO 1.448   1.509 0.061 5 6
Li2 Lithium diatomic rLiLi 2.673   2.749 0.076 1 2
CaH Calcium monohydride rCaH 2.003 ±0.000 2.085 0.082 1 2
CaO Calcium monoxide rOCa 1.822   1.948 0.126 1 2
Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- rAlCl 2.040 ±0.040 2.272 0.232 1 3
C4H10O Methyl propyl ether rCH 1.099   1.397 0.298 1 2
317 molecules.