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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 CCSD/aug-cc-pVTZ

Species Name Bond type Bond Length (Å)
Experimental unc. Calculated Difference atom1 atom2
CH3ONO Methyl nitrite rNO 1.398   1.353 -0.045 2 6
FNO2 Nitryl fluoride rNF 1.467 ±0.015 1.422 -0.045 1 2
C4H6 Methylenecyclopropane rCC 1.457   1.413 -0.044 2 5
CH2O2 Dioxirane rOO 1.516 ±0.003 1.478 -0.038 4 5
C2H2O2 Ethanedial rCH 1.132   1.101 -0.031 1 3
F2O Difluorine monoxide rFO 1.405   1.382 -0.023 1 2
HNO3 Nitric acid rNO 1.406   1.385 -0.021 1 2
LiOH lithium hydroxide rOH 0.969   0.949 -0.021 1 3
C5H6 Propellane rCC 1.596 ±0.005 1.577 -0.019 2 5
N(CH3)3 Trimethylamine rCH 1.109   1.091 -0.018 2 8
CH3COCl Acetyl Chloride rCH 1.105   1.087 -0.018 2 5
CH3OC2H5 Ethane, methoxy- rCO 1.415 ±0.005 1.398 -0.017 1 2
C4H6 Bicyclo[1.1.0]butane rCC 1.497   1.480 -0.017 1 2
HOBr Hypobromous acid rBrO 1.834   1.817 -0.017 2 3
C5H8 Ethenylcyclopropane rCH 1.099   1.082 -0.017 1 6
CH3SeH Methane selenol rSeH 1.473 ±0.020 1.457 -0.016 1 3
F2 Fluorine diatomic rFF 1.412   1.396 -0.016 1 2
CH2FCl fluorochloromethane rCF 1.370 ±0.001 1.355 -0.015 1 2
H2Cl+ dihydrogen monochloride cation rHCl 1.321 ±0.000 1.306 -0.015 1 2
AsH Arsenic monohydride rAsH 1.535 ±0.001 1.520 -0.014 1 2
HeH+ Helium hydride cation rHHe 0.790   0.776 -0.014 1 2
CH3CH2CHO Propanal rCH 1.103   1.089 -0.014 1 6
HSe Selenium monohydride rSeH 1.475 ±0.010 1.461 -0.014 1 2
HF+ hydrogen fluoride cation rHF 1.014   1.001 -0.013 1 2
CH3ONO Methyl nitrite rCH 1.102   1.089 -0.013 1 4
C3H6O Propylene oxide rCC 1.513   1.500 -0.013 2 6
B2H6 Diborane rBH 1.200   1.188 -0.012 1 5
CH2NH Methanimine rCH 1.103   1.091 -0.012 1 3
CH3CH2CHO Propanal rCH 1.115   1.103 -0.012 3 10
ArH+ Argon hydride cation rArH 1.292 ±0.000 1.280 -0.012 1 2
HCCl Chloromethylene rCH 1.119 ±0.036 1.107 -0.012 1 3
SeO2 Selenium dioxide rSeO 1.607 ±0.001 1.596 -0.011 1 2
CH2O2 Dioxirane rCO 1.388 ±0.004 1.377 -0.011 1 4
C2H3Cl Ethene, chloro- rCH 1.090   1.079 -0.011 1 4
C5H6 Propellane rCC 1.525 ±0.002 1.515 -0.010 1 2
OCSe Carbonyl selenide rC=O 1.159   1.149 -0.010 1 2
HOCl hypochlorous acid rOH 0.973 ±0.002 0.964 -0.010 1 2
CH3COCl Acetyl Chloride rCC 1.506   1.497 -0.009 1 2
C2H Ethynyl radical rC#C 1.217   1.207 -0.009 1 2
CH3CHO Acetaldehyde rCH 1.114   1.105 -0.009 1 4
CH3CH2CHO Propanal rCH 1.105   1.096 -0.009 2 8
ClO Monochlorine monoxide rClO 1.596 ±0.001 1.587 -0.009 1 2
SiH2Cl2 dichlorosilane rSiH 1.480 ±0.015 1.471 -0.009 1 2
C2H5F fluoroethane rCF 1.398 ±0.007 1.389 -0.009 1 3
HS+ sulfur monohydride cation rSH 1.374   1.366 -0.008 1 2
CH2PH Phosphaethene rCH 1.090 ±0.015 1.082 -0.008 1 3
KrH+ Protonated Krypton rHKr 1.421 ±0.000 1.413 -0.008 1 2
CH3CH2OH Ethanol rCH 1.098   1.090 -0.008 1 6
CH3OCH3 Dimethyl ether rCO 1.411 ±0.001 1.403 -0.008 1 2
C3H6O 2-Propen-1-ol rCH 1.091 ±0.010 1.083 -0.008 3 9
C3H6O 2-Propen-1-ol rCH 1.092 ±0.010 1.084 -0.008 2 7
As4 Arsenic tetramer rAsAs 2.435   2.428 -0.007 1 2
CH2 Methylene rCH 1.085   1.078 -0.007 1 2
H2CSe Selenoformaldehyde rHC 1.090   1.083 -0.007 1 3
CH3OCHO methyl formate rCO 1.437   1.430 -0.007 1 2
SeO Selenium monoxide rSeO 1.639 ±0.001 1.632 -0.007 1 2
O2+ diatomic oxygen cation rOO 1.116   1.109 -0.007 1 2
NH4+ ammonium cation rHN 1.029 ±0.000 1.022 -0.007 1 2
H2CSe Selenoformaldehyde rC=Se 1.753   1.746 -0.007 1 2
CH2PH Phosphaethene rCH 1.090 ±0.015 1.083 -0.007 1 4
ClCN chlorocyanogen rC#N 1.161   1.154 -0.007 2 3
CH3NH2 methyl amine rNH 1.018 ±0.001 1.012 -0.007 2 6
NO Nitric oxide rN=O 1.154 ±0.000 1.147 -0.006 1 2
CH3NC methyl isocyanide rCH 1.094   1.088 -0.006 1 4
CH3OCHO methyl formate rCH 1.101   1.095 -0.006 3 8
FO Oxygen monofluoride rFO 1.354   1.348 -0.006 1 2
N3 azide radical rNN 1.181   1.175 -0.006 1 2
CH3CH(CH3)CH3 Isobutane rCH 1.100   1.094 -0.006 3 6
CH3CCH propyne rCH 1.096   1.090 -0.006 1 5
CH3NHCH3 Dimethylamine rCH 1.098   1.092 -0.006 3 7
B2H6 Diborane rBH 1.320   1.314 -0.006 1 3
C3H6O 2-Propen-1-ol rCH 1.102 ±0.020 1.096 -0.006 1 6
CH3NH2 methyl amine rCN 1.471 ±0.003 1.465 -0.006 1 2
CH2CO Ketene rCH 1.083   1.076 -0.006 1 4
HBr+ hydrogen bromide cation rHBr 1.448   1.442 -0.006 1 2
BrF Bromine monofluoride rFBr 1.759 ±0.000 1.753 -0.006 1 2
C2H2O2 Ethanedial rCC 1.526   1.520 -0.006 1 2
CH3COCl Acetyl Chloride rC=O 1.187   1.181 -0.006 1 3
O2 Oxygen diatomic rO=O 1.208   1.202 -0.006 1 2
NO+ nitric oxide cation rN=O 1.066   1.060 -0.006 1 2
OH Hydroxyl radical rOH 0.970   0.964 -0.006 1 2
NSe Nitrogen monoselenide rN=Se 1.652   1.646 -0.006 1 2
CH3CH2CHO Propanal rCC 1.509   1.504 -0.005 2 3
CH2C(CH3)CH3 1-Propene, 2-methyl- rCH 1.088   1.083 -0.005 2 3
GeH germylidene rGeH 1.588   1.583 -0.005 1 2
CH3ONO Methyl nitrite rCH 1.090   1.085 -0.005 1 3
H2Se Hydrogen selenide rSeH 1.460   1.455 -0.005 1 2
CH3NO nitrosomethane rCH 1.094   1.089 -0.005 1 4
CH3CH2CHO Propanal rCH 1.096   1.091 -0.005 1 5
CHF3 Methane, trifluoro- rCH 1.091 ±0.014 1.086 -0.005 1 2
CH3CHS Thioacetaldehyde rCH 1.098   1.093 -0.005 2 6
CN Cyano radical rC#N 1.172   1.167 -0.005 1 2
CH2FCl fluorochloromethane rCH 1.090 ±0.010 1.086 -0.004 1 4
CH2CCHCH3 1,2-Butadiene rC=C 1.314   1.310 -0.004 1 2
C2H5F fluoroethane rCH 1.095 ±0.007 1.091 -0.004 1 4
CHBr3 bromoform rCBr 1.924 ±0.005 1.920 -0.004 1 3
C2H2+ acetylene cation rC=C 1.253 ±0.001 1.249 -0.004 1 2
HBr hydrogen bromide rHBr 1.414 ±0.000 1.410 -0.004 1 2
CH3ONO Methyl nitrite rCO 1.437   1.433 -0.004 1 2
FNO2 Nitryl fluoride rN=O 1.180 ±0.005 1.176 -0.004 1 3
CH2O2 Dioxirane rCH 1.090 ±0.002 1.087 -0.004 1 2
CH2Br2 dibromomethane rCBr 1.925 ±0.002 1.921 -0.004 1 4
HO2 Hydroperoxy radical rOO 1.331   1.327 -0.004 1 2
CH3CHFCH3 2-Fluoropropane rCH 1.093 ±0.006 1.090 -0.003 4 8
AsH3 Arsine rAsH 1.511 ±0.000 1.508 -0.003 1 2
C2H2ClF 1-chloro-1-fluoroethylene rCH 1.082 ±0.001 1.079 -0.003 2 5
HSiCl Chlorosilylene rSiH 1.525 ±0.005 1.522 -0.003 1 3
CH3OCHO methyl formate rCO 1.334   1.331 -0.003 2 3
CH3CHClCH3 Propane, 2-chloro- rCH 1.091   1.088 -0.003 2 5
CH3CHFCH3 2-Fluoropropane rCH 1.094 ±0.005 1.091 -0.003 4 10
CH3OC2H5 Ethane, methoxy- rCH 1.092 ±0.007 1.089 -0.003 4 11
NH3BF3 Amminetrifluoroboron rBN 1.673   1.670 -0.003 1 2
C4H6 Cyclobutene rCH 1.094   1.091 -0.003 3 7
GeO Germanium monoxide rOGe 1.625   1.622 -0.003 1 2
CH2Cl2 Methylene chloride rCH 1.085 ±0.002 1.082 -0.003 1 2
C3H8 Propane rCH 1.096   1.093 -0.003 1 4
SOCl2 thionyl chloride rS=O 1.443 ±0.006 1.440 -0.003 1 2
C3H6 Cyclopropane rCH 1.083   1.080 -0.003 1 4
CH3CHS Thioacetaldehyde rCH 1.090   1.087 -0.003 2 5
CSe Carbon monoselenide rC=Se 1.676 ±0.000 1.673 -0.003 1 2
NH2SH Thiohydroxylamine rSH 1.344 ±0.029 1.341 -0.003 2 3
CH3OC2H5 Ethane, methoxy- rCH 1.100 ±0.003 1.098 -0.002 3 8
CSe2 Carbon diselenide rC=Se 1.692 ±0.000 1.690 -0.002 1 2
CO+ carbon monoxide cation rC=O 1.115 ±0.000 1.113 -0.002 1 2
CH3NC methyl isocyanide rCN 1.426 ±0.003 1.424 -0.002 1 2
CCl2O Phosgene rC=O 1.177   1.175 -0.002 1 2
CH3OC2H5 Ethane, methoxy- rCH 1.099 ±0.007 1.097 -0.002 1 6
CH2CHF Ethene, fluoro- rCH 1.082   1.080 -0.002 1 4
CH2CO Ketene rC=O 1.162   1.160 -0.002 2 3
CH3OCH3 Dimethyl ether rCH 1.099 ±0.001 1.097 -0.002 2 6
HOCl hypochlorous acid rClO 1.697 ±0.001 1.696 -0.002 1 3
ClF Chlorine monofluoride rFCl 1.628 ±0.000 1.626 -0.002 1 2
C4H6 Cyclobutene rCH 1.083   1.081 -0.002 1 5
CF Fluoromethylidyne rCF 1.276   1.274 -0.002 1 2
C3H6O 2-Propen-1-ol rCH 1.096 ±0.030 1.094 -0.002 1 5
C3H4 cyclopropene rCH 1.088   1.086 -0.002 1 6
CH3NO nitrosomethane rCH 1.092   1.090 -0.002 1 5
CH3ONO Methyl nitrite rN=O 1.182   1.181 -0.001 6 7
SiHCl3 Trichlorosilane rSiH 1.464   1.463 -0.001 1 2
BeO beryllium oxide rBe=O 1.331   1.330 -0.001 1 2
N2 Nitrogen diatomic rN#N 1.098   1.097 -0.001 1 2
C2H2 Acetylene rCH 1.063   1.062 -0.001 1 3
CH3Br methyl bromide rCBr 1.934 ±0.000 1.933 -0.001 1 2
BN boron nitride rB=N 1.325   1.324 -0.001 1 2
CH3OCHO methyl formate rCH 1.086   1.085 -0.001 1 5
HNCNH diiminomethane rC=N 1.224 ±0.001 1.224 -0.001 1 2
HO2 Hydroperoxy radical rOH 0.971   0.970 0.000 1 3
SCSe Carbon sulfide selenide rC=Se 1.695 ±0.002 1.695 0.000 1 3
CH3CH(CH3)CH3 Isobutane rCH 1.092   1.092 0.000 3 9
OH- hydroxide anion rOH 0.964   0.964 0.000 1 2
Se2 Selenium diatomic rSe=Se 2.166 ±0.001 2.166 0.000 1 2
CH3CHS Thioacetaldehyde rCH 1.089   1.089 0.000 1 4
SCSe Carbon sulfide selenide rC=S 1.553 ±0.002 1.553 0.000 1 2
CS carbon monosulfide rC#S 1.535   1.535 0.000 1 2
CHONH2 formamide rNH 1.001   1.001 0.000 3 6
C2H5F fluoroethane rCH 1.090 ±0.007 1.090 0.000 2 7
GeBr4 Germanium tetrabromide rGeBr 2.272 ±0.001 2.272 0.000 1 2
CH3CH2Cl Ethyl chloride rCH 1.086   1.087 0.000 2 7
CH Methylidyne rCH 1.120   1.120 0.000 1 2
CN- cyanide anion rC#N 1.177 ±0.004 1.177 0.000 1 2
SeCl2 Selenium Dichloride rClSe 2.157 ±0.003 2.157 0.000 1 2
HCCCN Cyanoacetylene rCH 1.062 ±0.001 1.063 0.000 4 5
BH3 boron trihydride rBH 1.190   1.191 0.001 1 2
CH3CHFCH3 2-Fluoropropane rCH 1.092   1.093 0.001 1 3
CH3CHClCH3 Propane, 2-chloro- rCH 1.092   1.093 0.001 3 6
BH Boron monohydride rBH 1.232   1.233 0.001 1 2
PO Phosphorus monoxide rP=O 1.476   1.477 0.001 1 2
CH3NC methyl isocyanide rC#N 1.166 ±0.003 1.167 0.001 2 3
C2H5F fluoroethane rCH 1.091 ±0.007 1.092 0.001 2 6
H2CS Thioformaldehyde rC=S 1.611   1.612 0.001 1 2
C2H2+ acetylene cation rCH 1.077 ±0.005 1.078 0.001 1 3
C2H2 Acetylene rC#C 1.203   1.204 0.001 1 2
SiH3F monofluorosilane rSiH 1.476   1.477 0.001 1 3
H2O Water rOH 0.958 ±0.000 0.959 0.001 1 2
HOBr Hypobromous acid rOH 0.961   0.962 0.001 1 2
C4H6 Cyclobutene rCC 1.517   1.518 0.001 1 3
GaF Gallium monofluoride rFGa 1.774 ±0.000 1.776 0.001 1 2
CH3CHO Acetaldehyde rCH 1.086   1.087 0.001 2 5
GeH3F monofluorogermane rGeF 1.731 ±0.000 1.732 0.001 1 2
CH3CH2CHO Propanal rCC 1.523   1.524 0.001 1 2
HF Hydrogen fluoride rHF 0.917 ±0.000 0.918 0.001 1 2
H2 Hydrogen diatomic rHH 0.741   0.743 0.001 1 2
AsF Arsenic monofluoride rFAs 1.736 ±0.001 1.737 0.001 1 2
SiH3Cl chlorosilane rSiH 1.475   1.476 0.001 1 3
HCl+ hydrogen chloride cation rHCl 1.315   1.316 0.001 1 2
C2H3Cl Ethene, chloro- rCH 1.079   1.080 0.001 2 5
CH4 Methane rCH 1.087 ±0.001 1.089 0.002 1 2
C5H8 Ethenylcyclopropane rCC 1.475   1.477 0.002 1 2
CH3Br methyl bromide rCH 1.082 ±0.001 1.084 0.002 1 3
C3H4 cyclopropene rCH 1.072   1.074 0.002 2 4
CH3CCH propyne rCH 1.060   1.062 0.002 3 4
CH3CH2Cl Ethyl chloride rCH 1.090   1.092 0.002 1 3
BrO Bromine monoxide rOBr 1.718   1.719 0.002 1 2
He2+ helium diatomic cation rHeHe 1.081 ±0.001 1.083 0.002 1 2
CO Carbon monoxide rC#O 1.128 ±0.000 1.130 0.002 1 2
SiH4 Silane rSiH 1.480 ±0.000 1.482 0.002 1 2
HCl Hydrogen chloride rHCl 1.275 ±0.000 1.277 0.002 1 2
CH3NHCH3 Dimethylamine rCH 1.098   1.100 0.002 3 5
GeF Germanium monofluoride rFGe 1.745   1.748 0.002 1 2
CH3OC2H5 Ethane, methoxy- rCH 1.086 ±0.010 1.089 0.003 1 5
CHF3 Methane, trifluoro- rCF 1.328 ±0.003 1.331 0.003 1 3
CH2CHF Ethene, fluoro- rCH 1.077   1.080 0.003 2 5
GeF+ Germanium monofluoride cation rFGe 1.665 ±0.000 1.668 0.003 1 2
CH3NH2 methyl amine rCH 1.093 ±0.000 1.096 0.003 1 3
BO boron monoxide rB=O 1.205   1.207 0.003 1 2
CHONH2 formamide rNH 1.001   1.004 0.003 3 5
CH3CH2OH Ethanol rCH 1.088   1.091 0.003 1 5
GeS Germanium monosulfide rS=Ge 2.012 ±0.000 2.015 0.003 1 2
CH2F2 Methane, difluoro- rCF 1.351 ±0.001 1.354 0.003 1 4
HS Mercapto radical rSH 1.341   1.344 0.003 1 2
CH3CHFCH3 2-Fluoropropane rCH 1.088 ±0.006 1.091 0.003 4 6
HS- mercapto anion rSH 1.343   1.346 0.003 1 2
CH3OCH3 Dimethyl ether rCH 1.085 ±0.001 1.088 0.003 2 4
GeH3F monofluorogermane rGeH 1.515 ±0.000 1.518 0.003 1 3
C2H5F fluoroethane rCC 1.505 ±0.007 1.508 0.003 1 2
C3H6O 2-Propen-1-ol rCH 1.078 ±0.010 1.081 0.003 3 8
SiC silicon monocarbide rCSi 1.722   1.725 0.003 1 2
F2SO Thionyl Fluoride rFS 1.585 ±0.000 1.589 0.003 1 3
PN Phosphorus mononitride rP#N 1.491   1.494 0.003 1 2
BF Boron monofluoride rBF 1.267 ±0.000 1.271 0.004 1 2
NS Mononitrogen monosulfide rNS 1.497 ±0.000 1.501 0.004 1 2
CH3OC2H5 Ethane, methoxy- rCH 1.089 ±0.008 1.093 0.004 4 10
DS Mercapto-d rSD 1.341   1.344 0.004 1 2
C2H3 vinyl rCH 1.085   1.089 0.004 2 4
C2 Carbon diatomic rC=C 1.243   1.247 0.004 1 2
CH2F2 Methane, difluoro- rCH 1.084 ±0.003 1.088 0.004 1 2
HCCl Chloromethylene rCCl 1.696 ±0.003 1.701 0.004 1 2
PH phosphorus monohydride rPH 1.422   1.427 0.004 1 2
SF4 Sulfur tetrafluoride rSF 1.646 ±0.003 1.651 0.005 1 2
NO- nitric oxide anion rN=O 1.258 ±0.010 1.263 0.005 1 2
BF3 Borane, trifluoro- rBF 1.307   1.312 0.005 1 2
PF5 Phosphorus pentafluoride rFP 1.577   1.582 0.005 1 5
CH2Cl2 Methylene chloride rCCl 1.767 ±0.002 1.772 0.005 1 4
OCSe Carbonyl selenide rC=Se 1.709   1.714 0.005 1 3
C3H6 Cyclopropane rCC 1.501   1.506 0.005 1 2
BeH beryllium monohydride rBeH 1.343   1.348 0.005 1 2
SiH+ silicon monohydride cation rSiH 1.504   1.510 0.006 1 2
CH3NHCH3 Dimethylamine rCH 1.084   1.090 0.006 3 9
SO+ sulfur monoxide cation rO=S 1.424   1.430 0.006 1 2
OPCl Phosphorus oxychloride rP=O 1.462 ±0.011 1.468 0.006 1 2
P2 Phosphorus diatomic rP#P 1.893   1.900 0.006 1 2
BeH2 beryllium dihydride rBeH 1.326 ±0.000 1.333 0.006 1 2
SiH3+ Silyl cation rSiH 1.460 ±0.010 1.467 0.007 1 2
SiH Silylidyne rSiH 1.520   1.527 0.007 1 2
SF4 Sulfur tetrafluoride rSF 1.545 ±0.003 1.552 0.007 1 4
SF Monosulfur monofluoride rSF 1.599   1.607 0.007 1 2
NH2CONH2 Urea rNH 0.998   1.005 0.007 4 8
SiH2F2 difluorosilane rSiH 1.462   1.469 0.007 1 4
GaBr Gallium monobromide rGaBr 2.352 ±0.000 2.360 0.008 1 2
SiO Silicon monoxide rSiO 1.510 ±0.000 1.517 0.008 1 2
C3H7N Cyclopropylamine rCH 1.080   1.088 0.008 1 2
SSO Disulfur monoxide rS=O 1.456   1.464 0.008 1 2
CH3OC2H5 Ethane, methoxy- rCO 1.407 ±0.004 1.416 0.009 2 3
PF5 Phosphorus pentafluoride rPF 1.534   1.543 0.009 1 2
GaAs Gallium arsenide rGa#As 2.530 ±0.020 2.539 0.009 1 2
SO Sulfur monoxide rS=O 1.481   1.491 0.010 1 2
CH3CH2OH Ethanol rCH 1.086   1.096 0.010 2 8
CH3COCl Acetyl Chloride rCCl 1.798   1.808 0.010 1 4
PF2 Phosphorus difluoride rPF 1.579   1.589 0.010 1 2
C3O2 Carbon suboxide rC=O 1.146   1.157 0.011 2 4
CCl2O Phosgene rCCl 1.737   1.747 0.011 2 3
SSO Disulfur monoxide rS=S 1.884   1.896 0.011 2 3
SiS silicon monosulfide rSiS 1.929 ±0.000 1.941 0.011 1 2
GeCl Germanium monochloride rClGe 2.164 ±0.000 2.175 0.012 1 2
LiNH2 lithium amide rLiN 1.736 ±0.003 1.748 0.012 1 2
ClCN chlorocyanogen rCCl 1.629   1.641 0.012 1 2
B2 Boron diatomic rBB 1.590   1.603 0.013 1 2
Br2 Bromine diatomic rBrBr 2.281   2.294 0.013 1 2
CH2FCl fluorochloromethane rCCl 1.762 ±0.000 1.775 0.013 1 3
SiH3F monofluorosilane rSiF 1.595   1.608 0.014 1 2
PS phosphorus sulfide rP=S 1.900   1.914 0.014 1 2
AlNC Aluminum isocyanide rAlN 1.855 ±0.005 1.869 0.014 1 2
SiF silicon monofluoride rSiF 1.604   1.618 0.014 1 2
S2 Sulfur diatomic rS=S 1.889   1.903 0.014 1 2
MgH magnesium monohydride rMgH 1.730   1.744 0.015 1 2
F2SO Thionyl Fluoride rO=S 1.413 ±0.000 1.428 0.015 1 2
LiOH lithium hydroxide rLiO 1.582   1.597 0.015 1 2
BrCl Bromine monochloride rClBr 2.136 ±0.000 2.151 0.015 1 2
C3H5 Allyl radical rCH 1.069   1.084 0.015 1 2
N(CH3)3 Trimethylamine rCH 1.088   1.103 0.015 2 5
SCl2 Sulfur dichloride rSCl 2.013 ±0.001 2.028 0.016 1 2
C2H Ethynyl radical rCH 1.047   1.062 0.016 1 3
Cl2+ chlorine diatomic cation rClCl 1.892   1.907 0.016 1 2
SiF2 Silicon difluoride rFSi 1.590 ±0.000 1.606 0.016 1 2
SiBr+ Silicon monobromide cation rSiBr 2.095 ±0.000 2.112 0.017 1 2
OPCl Phosphorus oxychloride rPCl 2.059 ±0.004 2.075 0.017 1 3
LiO lithium oxide rLiO 1.688   1.707 0.018 1 2
SiH3Cl chlorosilane rSiCl 2.051   2.069 0.019 1 2
ZnH+ Zinc, protonated rHZn 1.515   1.535 0.020 1 2
SiH2Cl2 dichlorosilane rSiCl 2.033 ±0.003 2.053 0.020 1 4
AlF Aluminum monofluoride rAlF 1.654 ±0.000 1.675 0.020 1 2
NCl nitrogen monochloride rNCl 1.611 ±0.000 1.632 0.021 1 2
LiF lithium fluoride rLiF 1.564 ±0.000 1.586 0.022 1 2
Cl2 Chlorine diatomic rClCl 1.988   2.010 0.022 1 2
LiH Lithium Hydride rLiH 1.595 ±0.000 1.617 0.022 1 2
SiCl Clorosilylidyne rSiCl 2.061 ±0.000 2.084 0.023 1 2
C3O2 Carbon suboxide rC=C 1.251   1.274 0.023 1 2
AlC Aluminum carbide rC=Al 1.955   1.979 0.024 1 2
LiBr Lithium Bromide rLiBr 2.170 ±0.000 2.195 0.024 1 2
LiCl lithium chloride rLiCl 2.021 ±0.000 2.045 0.025 1 2
SiHCl3 Trichlorosilane rSiCl 2.020   2.045 0.025 1 3
SCl sulfur monochloride rSCl 1.975   2.000 0.025 1 2
AsF3 Arsenic trifluoride rAsF 1.706 ±0.002 1.732 0.026 1 2
HSiCl Chlorosilylene rSiCl 2.067 ±0.003 2.093 0.026 1 2
Li2 Lithium diatomic rLiLi 2.673   2.700 0.027 1 2
AlCl Aluminum monochloride rAlCl 2.130 ±0.000 2.158 0.028 1 2
AlBr Aluminum monobromide rAlBr 2.295   2.324 0.029 1 2
C3H4O Cyclopropanone rCC 1.575   1.605 0.030 3 4
CFCl chlorofluoromethylene rCCl 1.714   1.745 0.031 1 3
CuH Copper monohydride rCuH 1.463   1.495 0.032 1 2
NaH sodium hydride rNaH 1.887 ±0.000 1.927 0.041 1 2
NaCl Sodium Chloride rNaCl 2.361 ±0.000 2.404 0.043 1 2
NaLi lithium sodium rLiNa 2.889   2.951 0.062 1 2
NaF sodium fluoride rNaF 1.926 ±0.000 1.991 0.065 1 2
Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- rAlCl 2.040 ±0.040 2.279 0.239 1 3
315 molecules.