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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 M06-2X/6-31G

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
Na2 Sodium diatomic rNaNa 3.079   2.953 -0.126 1 2
NaLi lithium sodium rLiNa 2.889   2.841 -0.048 1 2
C5H8O Methyl cyclopropyl ketone rCH 1.126   1.090 -0.036 3 7
C2H2O2 Ethanedial rCH 1.132   1.098 -0.034 1 3
ScH Scandium monohydride rScH 1.775 ±0.000 1.742 -0.034 1 2
CF3COOH trifluoroacetic acid rCC 1.546 ±0.005 1.522 -0.024 1 2
NaF sodium fluoride rNaF 1.926 ±0.000 1.903 -0.023 1 2
NH3BF3 Amminetrifluoroboron rBN 1.673   1.651 -0.022 1 2
C2H2O2 Ethanedial rCC 1.526   1.505 -0.021 1 2
CH3OCl methyl hypochlorite rCH 1.111 ±0.018 1.092 -0.019 3 4
CH3CH2CH2CH3 Butane rCH 1.117   1.098 -0.019 1 5
CH3NH2 methyl amine rCN 1.471 ±0.003 1.454 -0.017 1 2
C4H8O2 Ethyl acetate rCH 1.105   1.088 -0.017 1 7
C9H8 Indene rCC 1.415 ±0.170 1.398 -0.017 1 2
B2H6 Diborane rBH 1.200   1.185 -0.015 1 5
C5H8 Ethenylcyclopropane rCH 1.099   1.085 -0.014 1 6
CH3CH2CHO Propanal rCH 1.115   1.102 -0.013 3 10
CH3CHO Acetaldehyde rCH 1.114   1.102 -0.012 1 4
C4H8O2 Ethyl acetate rCC 1.508   1.497 -0.011 1 2
C8H8 cubane rCH 1.097   1.086 -0.011 1 9
CH3CH2CHO Propanal rCH 1.103   1.093 -0.010 1 6
LiOH lithium hydroxide rOH 0.969   0.959 -0.010 1 3
CH2NH Methanimine rCH 1.103   1.093 -0.010 1 3
CH3NH2 methyl amine rNH 1.018 ±0.001 1.009 -0.009 2 6
C10H8 Azulene rC:C 1.414   1.407 -0.008 7 9
NaH sodium hydride rNaH 1.887 ±0.000 1.879 -0.007 1 2
CHF3 Methane, trifluoro- rCH 1.091 ±0.014 1.084 -0.007 1 2
LiOH lithium hydroxide rLiO 1.582   1.575 -0.007 1 2
CH3CH2CHO Propanal rCH 1.105   1.099 -0.006 2 8
CH3CH2OH Ethanol rCH 1.098   1.092 -0.006 1 6
CH2PH Phosphaethene rCH 1.090 ±0.015 1.084 -0.006 1 3
HeH+ Helium hydride cation rHHe 0.790   0.785 -0.005 1 2
CH2PH Phosphaethene rCH 1.090 ±0.015 1.085 -0.005 1 4
C3F6 hexafluoropropene rC=C 1.329 ±0.003 1.324 -0.005 1 2
C3H6O 2-Propen-1-ol rCH 1.092 ±0.010 1.087 -0.005 2 7
H2CSe Selenoformaldehyde rHC 1.090   1.085 -0.005 1 3
CH2 Methylene rCH 1.085   1.080 -0.005 1 2
H2 Hydrogen diatomic rHH 0.741   0.737 -0.005 1 2
C3H6O 2-Propen-1-ol rCH 1.091 ±0.010 1.086 -0.005 3 9
CH3CH2CHO Propanal rCC 1.509   1.505 -0.004 2 3
LiNH2 lithium amide rLiN 1.736 ±0.003 1.732 -0.004 1 2
C2H Ethynyl radical rC#C 1.217   1.213 -0.004 1 2
CH3CH2CHO Propanal rCH 1.096   1.092 -0.004 1 5
C5H8O Methyl cyclopropyl ketone rCC 1.510   1.506 -0.004 2 3
CH2CO Ketene rCH 1.083   1.080 -0.003 1 4
CH3CCH propyne rCH 1.096   1.093 -0.003 1 5
CH3NO nitrosomethane rCH 1.094   1.091 -0.003 1 4
FNO2 Nitryl fluoride rNF 1.467 ±0.015 1.464 -0.003 1 2
HNCNH diiminomethane rC=N 1.224 ±0.001 1.222 -0.003 1 2
B2H6 Diborane rBH 1.320   1.318 -0.002 1 3
CH2Cl2 Methylene chloride rCH 1.085 ±0.002 1.083 -0.002 1 2
C4H6 Bicyclo[1.1.0]butane rCC 1.497   1.495 -0.002 1 2
C3H6O 2-Propen-1-ol rCH 1.102 ±0.020 1.100 -0.002 1 6
C3H3NO Oxazole rCH 1.075 ±0.001 1.073 -0.002 2 6
C4H8O2 Ethyl acetate rCC 1.515   1.513 -0.002 5 6
C3H3NO Oxazole rCH 1.075 ±0.001 1.074 -0.002 4 7
C10H8 Azulene rC:C 1.398   1.396 -0.002 1 3
NH4+ ammonium cation rHN 1.029 ±0.000 1.028 -0.001 1 2
CH3CHFCH3 2-Fluoropropane rCH 1.093 ±0.006 1.092 -0.001 4 8
CH3OC2H5 Ethane, methoxy- rCH 1.099 ±0.007 1.098 -0.001 1 6
CH2CHF Ethene, fluoro- rCH 1.082   1.081 -0.001 1 4
CH3OCH3 Dimethyl ether rCH 1.099 ±0.001 1.098 -0.001 2 6
C3H3NO Oxazole rCH 1.073 ±0.001 1.072 -0.001 5 8
CH3CHClCH3 Propane, 2-chloro- rCH 1.091   1.090 -0.001 2 5
CH3CHS Thioacetaldehyde rCH 1.098   1.097 -0.001 2 6
CH3CHFCH3 2-Fluoropropane rCH 1.094 ±0.005 1.093 -0.001 4 10
C3H4 cyclopropene rCH 1.088   1.088 0.000 1 6
C2H2ClF 1-chloro-1-fluoroethylene rCH 1.082 ±0.001 1.082 0.000 2 5
C3H6 Cyclopropane rCH 1.083   1.083 0.000 1 4
C4H8 cyclobutane rCH 1.093   1.093 0.000 1 5
BH3 boron trihydride rBH 1.190   1.190 0.000 1 2
CH3OC2H5 Ethane, methoxy- rCH 1.092 ±0.007 1.092 0.000 4 11
CH3CHS Thioacetaldehyde rCH 1.090   1.090 0.000 2 5
C4H8 cyclobutane rCH 1.091   1.091 0.000 1 6
CH3OC2H5 Ethane, methoxy- rCH 1.100 ±0.003 1.100 0.000 3 8
CH3NO nitrosomethane rCH 1.092   1.092 0.000 1 5
C3H8 Propane rCH 1.096   1.097 0.001 1 4
CH2CHCH2CH3 1-Butene rCC 1.536   1.537 0.001 1 2
C10H8 Azulene rC:C 1.405 ±0.001 1.405 0.001 2 9
C10H8 Azulene rCH 1.080   1.081 0.001 9 17
C3H4 cyclopropene rCH 1.072   1.073 0.001 2 4
CSe2 Carbon diselenide rC=Se 1.692 ±0.000 1.694 0.001 1 2
C2H2 Acetylene rCH 1.063   1.065 0.002 1 3
LiF lithium fluoride rLiF 1.564 ±0.000 1.565 0.002 1 2
CH3CHS Thioacetaldehyde rCH 1.089   1.091 0.002 1 4
C10H8 Azulene rCH 1.084   1.086 0.002 4 14
SiH2Cl2 dichlorosilane rSiH 1.480 ±0.015 1.482 0.002 1 2
C3H6O 2-Propen-1-ol rCH 1.096 ±0.030 1.098 0.002 1 5
HSe Selenium monohydride rSeH 1.475 ±0.010 1.477 0.002 1 2
CH3CH2CH2CH3 Butane rCC 1.531   1.533 0.002 1 2
AsH Arsenic monohydride rAsH 1.535 ±0.001 1.537 0.002 1 2
CH3CH2CHO Propanal rCC 1.523   1.525 0.002 1 2
C5H8 Ethenylcyclopropane rCC 1.475   1.478 0.003 1 2
CH3CHFCH3 2-Fluoropropane rCH 1.092   1.095 0.003 1 3
CH3OC2H5 Ethane, methoxy- rCH 1.086 ±0.010 1.089 0.003 1 5
CH3Br methyl bromide rCH 1.082 ±0.001 1.085 0.003 1 3
H2CSe Selenoformaldehyde rC=Se 1.753   1.756 0.003 1 2
C2H2+ acetylene cation rC=C 1.253 ±0.001 1.256 0.003 1 2
CH4 Methane rCH 1.087 ±0.001 1.090 0.003 1 2
CH3CHClCH3 Propane, 2-chloro- rCH 1.092   1.095 0.003 3 6
CN Cyano radical rC#N 1.172   1.175 0.004 1 2
CH3OCH3 Dimethyl ether rCH 1.085 ±0.001 1.089 0.004 2 4
SCSe Carbon sulfide selenide rC=Se 1.695 ±0.002 1.699 0.004 1 3
CH2F2 Methane, difluoro- rCH 1.084 ±0.003 1.088 0.004 1 2
C2H2+ acetylene cation rCH 1.077 ±0.005 1.081 0.004 1 3
HCCl Chloromethylene rCH 1.119 ±0.036 1.123 0.004 1 3
CH3CCH propyne rCH 1.060   1.064 0.004 3 4
CH3OC2H5 Ethane, methoxy- rCH 1.089 ±0.008 1.093 0.004 4 10
CH3CHO Acetaldehyde rCH 1.086   1.090 0.004 2 5
BeH2 beryllium dihydride rBeH 1.326 ±0.000 1.331 0.004 1 2
C2H2 Acetylene rC#C 1.203   1.207 0.005 1 2
CHONH2 formamide rNH 1.001   1.006 0.005 3 6
CH2CHF Ethene, fluoro- rCH 1.077   1.082 0.005 2 5
CH3CH2OH Ethanol rCH 1.088   1.093 0.005 1 5
CH3CHFCH3 2-Fluoropropane rCH 1.088 ±0.006 1.093 0.005 4 6
CH3OCl methyl hypochlorite rCH 1.086 ±0.018 1.092 0.006 3 5
C3H6O 2-Propen-1-ol rCH 1.078 ±0.010 1.084 0.006 3 8
C2H3 vinyl rCH 1.085   1.091 0.006 2 4
C10H8 Azulene rCH 1.081   1.088 0.006 1 11
C10H8 Azulene rCH 1.083   1.089 0.006 5 15
C5H6 Propellane rCC 1.596 ±0.005 1.602 0.006 2 5
BN boron nitride rB=N 1.325   1.331 0.006 1 2
NH2CONH2 Urea rNH 0.998   1.005 0.007 4 8
CH3CH2O Ethoxy radical rCH 1.085   1.093 0.008 1 5
CH3CH2O Ethoxy radical rCH 1.086   1.094 0.008 1 4
C5H6 Propellane rCC 1.525 ±0.002 1.533 0.008 1 2
CHONH2 formamide rNH 1.001   1.009 0.008 3 5
BeO beryllium oxide rBe=O 1.331   1.340 0.009 1 2
CH3NH2 methyl amine rCH 1.093 ±0.000 1.102 0.009 1 3
C10H8 naphthalene rC:C 1.410   1.419 0.009 2 3
C3H6 Cyclopropane rCC 1.501   1.511 0.010 1 2
OCSe Carbonyl selenide rC=O 1.159   1.170 0.011 1 2
OCSe Carbonyl selenide rC=Se 1.709   1.720 0.011 1 3
HOCl hypochlorous acid rOH 0.973 ±0.002 0.984 0.011 1 2
HNO3 Nitric acid rNO 1.406   1.417 0.011 1 2
AsH3 Arsine rAsH 1.511 ±0.000 1.522 0.012 1 2
CH3CH2OH Ethanol rCH 1.086   1.098 0.012 2 8
CH2CHCH2CH3 1-Butene rCC 1.493   1.505 0.012 2 3
H2Se Hydrogen selenide rSeH 1.460   1.472 0.012 1 2
SiH3Cl chlorosilane rSiH 1.475   1.487 0.012 1 3
N2 Nitrogen diatomic rN#N 1.098   1.110 0.012 1 2
HBr+ hydrogen bromide cation rHBr 1.448   1.461 0.013 1 2
N3 azide radical rNN 1.181   1.194 0.013 1 2
NO+ nitric oxide cation rN=O 1.066   1.079 0.013 1 2
O2+ diatomic oxygen cation rOO 1.116   1.130 0.013 1 2
CH3CH2O Ethoxy radical rCH 1.088   1.101 0.013 2 7
H2O Water rOH 0.958 ±0.000 0.971 0.013 1 2
C10H8 Azulene rC:C 1.377   1.391 0.013 5 7
SiH4 Silane rSiH 1.480 ±0.000 1.493 0.013 1 2
SiH3F monofluorosilane rSiH 1.476   1.490 0.014 1 3
BO boron monoxide rB=O 1.205   1.218 0.014 1 2
CO+ carbon monoxide cation rC=O 1.115 ±0.000 1.129 0.014 1 2
HClO4 perchloric acid rOH 0.980   0.994 0.014 3 6
HO2 Hydroperoxy radical rOH 0.971   0.985 0.014 1 3
CN- cyanide anion rC#N 1.177 ±0.004 1.192 0.015 1 2
C10H8 Azulene rC:C 1.484   1.500 0.016 7 8
NO Nitric oxide rN=O 1.154 ±0.000 1.170 0.016 1 2
C3F6 hexafluoropropene rCF 1.329 ±0.003 1.346 0.017 1 4
BH Boron monohydride rBH 1.232   1.249 0.017 1 2
GeH germylidene rGeH 1.588   1.605 0.017 1 2
C2H Ethynyl radical rCH 1.047   1.065 0.019 1 3
C3H3NO Oxazole rCO 1.357 ±0.003 1.376 0.019 1 2
C3H5 Allyl radical rCH 1.069   1.088 0.019 1 2
HBr hydrogen bromide rHBr 1.414 ±0.000 1.433 0.019 1 2
BeH beryllium monohydride rBeH 1.343   1.362 0.019 1 2
GeH3F monofluorogermane rGeH 1.515 ±0.000 1.534 0.019 1 3
C2 Carbon diatomic rC=C 1.243   1.262 0.020 1 2
CH Methylidyne rCH 1.120   1.140 0.020 1 2
H2Cl+ dihydrogen monochloride cation rHCl 1.321 ±0.000 1.341 0.020 1 2
SiH2F2 difluorosilane rSiH 1.462   1.482 0.020 1 4
CO Carbon monoxide rC#O 1.128 ±0.000 1.148 0.020 1 2
CH3OC2H5 Ethane, methoxy- rCO 1.415 ±0.005 1.436 0.021 1 2
C5H8O Cyclopentanone rCC 1.504   1.525 0.021 2 3
HOBr Hypobromous acid rOH 0.961   0.982 0.021 1 2
HS+ sulfur monohydride cation rSH 1.374   1.396 0.022 1 2
C3H3NO Oxazole rCO 1.370 ±0.002 1.391 0.022 1 5
CBr4 Carbon tetrabromide rCBr 1.942 ±0.002 1.964 0.022 1 2
SiH3+ Silyl cation rSiH 1.460 ±0.010 1.482 0.022 1 2
C4H8O2 Ethyl acetate rCO 1.345   1.367 0.022 2 3
OH Hydroxyl radical rOH 0.970   0.992 0.022 1 2
LiO lithium oxide rLiO 1.688   1.711 0.022 1 2
CH2CO Ketene rC=O 1.162   1.185 0.023 2 3
C3O2 Carbon suboxide rC=C 1.251   1.274 0.023 1 2
CF3COOH trifluoroacetic acid rC=O 1.192 ±0.003 1.216 0.024 2 4
GeBr4 Germanium tetrabromide rGeBr 2.272 ±0.001 2.296 0.024 1 2
F2 Fluorine diatomic rFF 1.412   1.436 0.024 1 2
CH3OCH3 Dimethyl ether rCO 1.411 ±0.001 1.436 0.025 1 2
KrH+ Protonated Krypton rHKr 1.421 ±0.000 1.446 0.025 1 2
C4H8O2 Ethyl acetate rC=O 1.203   1.228 0.025 2 4
GaF Gallium monofluoride rFGa 1.774 ±0.000 1.800 0.025 1 2
O2 Oxygen diatomic rO=O 1.208   1.234 0.026 1 2
CSe Carbon monoselenide rC=Se 1.676 ±0.000 1.702 0.026 1 2
HF Hydrogen fluoride rHF 0.917 ±0.000 0.944 0.027 1 2
HSiCl Chlorosilylene rSiH 1.525 ±0.005 1.552 0.027 1 3
FNO2 Nitryl fluoride rN=O 1.180 ±0.005 1.208 0.028 1 3
CrH Chromium hydride rHCr 1.655 ±0.001 1.683 0.028 1 2
LiH Lithium Hydride rLiH 1.595 ±0.000 1.623 0.028 1 2
GeO Germanium monoxide rOGe 1.625   1.655 0.031 1 2
HF+ hydrogen fluoride cation rHF 1.014   1.047 0.032 1 2
MgH magnesium monohydride rMgH 1.730   1.763 0.033 1 2
LiBr Lithium Bromide rLiBr 2.170 ±0.000 2.204 0.034 1 2
SCSe Carbon sulfide selenide rC=S 1.553 ±0.002 1.587 0.034 1 2
AlNC Aluminum isocyanide rAlN 1.855 ±0.005 1.889 0.034 1 2
C3O2 Carbon suboxide rC=O 1.146   1.180 0.034 2 4
CH3OC2H5 Ethane, methoxy- rCO 1.407 ±0.004 1.442 0.035 2 3
HS Mercapto radical rSH 1.341   1.378 0.037 1 2
BF3 Borane, trifluoro- rBF 1.307   1.344 0.037 1 2
H2CS Thioformaldehyde rC=S 1.611   1.649 0.038 1 2
PH phosphorus monohydride rPH 1.422   1.461 0.038 1 2
CH2Br2 dibromomethane rCBr 1.925 ±0.002 1.964 0.039 1 4
SiC silicon monocarbide rCSi 1.722   1.761 0.039 1 2
HO2 Hydroperoxy radical rOO 1.331   1.370 0.040 1 2
HCl Hydrogen chloride rHCl 1.275 ±0.000 1.314 0.040 1 2
HCl+ hydrogen chloride cation rHCl 1.315   1.354 0.040 1 2
ArH+ Argon hydride cation rArH 1.292 ±0.000 1.332 0.040 1 2
OH- hydroxide anion rOH 0.964   1.004 0.040 1 2
NaCl Sodium Chloride rNaCl 2.361 ±0.000 2.401 0.041 1 2
GeF Germanium monofluoride rFGe 1.745   1.786 0.041 1 2
TiCl Titanium Monochloride rClTi 2.265 ±0.000 2.306 0.042 1 2
NO- nitric oxide anion rN=O 1.258 ±0.010 1.300 0.042 1 2
SiH+ silicon monohydride cation rSiH 1.504   1.546 0.042 1 2
SiH Silylidyne rSiH 1.520   1.563 0.043 1 2
PN Phosphorus mononitride rP#N 1.491   1.534 0.043 1 2
CHF3 Methane, trifluoro- rCF 1.328 ±0.003 1.371 0.043 1 3
CH2F2 Methane, difluoro- rCF 1.351 ±0.001 1.395 0.044 1 4
GeH3F monofluorogermane rGeF 1.731 ±0.000 1.775 0.044 1 2
B2 Boron diatomic rBB 1.590   1.635 0.045 1 2
HS- mercapto anion rSH 1.343   1.389 0.046 1 2
GaAs Gallium arsenide rGa#As 2.530 ±0.020 2.578 0.048 1 2
FO Oxygen monofluoride rFO 1.354   1.404 0.050 1 2
CH3Br methyl bromide rCBr 1.934 ±0.000 1.985 0.051 1 2
AsF Arsenic monofluoride rFAs 1.736 ±0.001 1.789 0.053 1 2
CH3CSNH2 Ethanethioamide rC=S 1.647 ±0.002 1.701 0.054 1 2
GeS Germanium monosulfide rS=Ge 2.012 ±0.000 2.067 0.055 1 2
BF Boron monofluoride rBF 1.267 ±0.000 1.322 0.055 1 2
Li2 Lithium diatomic rLiLi 2.673   2.729 0.056 1 2
NSe Nitrogen monoselenide rN=Se 1.652   1.709 0.057 1 2
GeF+ Germanium monofluoride cation rFGe 1.665 ±0.000 1.724 0.058 1 2
CF Fluoromethylidyne rCF 1.276   1.335 0.059 1 2
AlF Aluminum monofluoride rAlF 1.654 ±0.000 1.718 0.063 1 2
P2 Phosphorus diatomic rP#P 1.893   1.957 0.064 1 2
GaBr Gallium monobromide rGaBr 2.352 ±0.000 2.417 0.065 1 2
C4H8O2 Ethyl acetate rCO 1.448   1.513 0.065 5 6
CH2Cl2 Methylene chloride rCCl 1.767 ±0.002 1.832 0.065 1 4
SeO2 Selenium dioxide rSeO 1.607 ±0.001 1.673 0.066 1 2
SiO Silicon monoxide rSiO 1.510 ±0.000 1.577 0.068 1 2
KH Potassium hydride rKH 2.243 ±0.001 2.311 0.069 1 2
AlC Aluminum carbide rC=Al 1.955   2.024 0.069 1 2
SeO Selenium monoxide rSeO 1.639 ±0.001 1.709 0.069 1 2
C2H6O2S Dimethyl sulfone rCS 1.777 ±0.006 1.848 0.071 1 4
LiCl lithium chloride rLiCl 2.021 ±0.000 2.092 0.071 1 2
SiP Silicon monophosphide rSiP 2.078 ±0.002 2.150 0.072 1 2
BrF Bromine monofluoride rFBr 1.759 ±0.000 1.831 0.072 1 2
HOBr Hypobromous acid rBrO 1.834   1.907 0.073 2 3
Se2 Selenium diatomic rSe=Se 2.166 ±0.001 2.244 0.078 1 2
SiS silicon monosulfide rSiS 1.929 ±0.000 2.014 0.085 1 2
NS Mononitrogen monosulfide rNS 1.497 ±0.000 1.588 0.091 1 2
OPCl Phosphorus oxychloride rP=O 1.462 ±0.011 1.556 0.094 1 2
PF5 Phosphorus pentafluoride rFP 1.577   1.672 0.095 1 5
PO Phosphorus monoxide rP=O 1.476   1.574 0.098 1 2
SiF2 Silicon difluoride rFSi 1.590 ±0.000 1.691 0.101 1 2
SiH3F monofluorosilane rSiF 1.595   1.697 0.102 1 2
HOCl hypochlorous acid rClO 1.697 ±0.001 1.800 0.103 1 3
SiF silicon monofluoride rSiF 1.604   1.708 0.103 1 2
As4 Arsenic tetramer rAsAs 2.435   2.540 0.105 1 2
PS phosphorus sulfide rP=S 1.900   2.005 0.105 1 2
He2+ helium diatomic cation rHeHe 1.081 ±0.001 1.187 0.106 1 2
SF4 Sulfur tetrafluoride rSF 1.646 ±0.003 1.752 0.106 1 2
SO+ sulfur monoxide cation rO=S 1.424   1.531 0.107 1 2
ClF Chlorine monofluoride rFCl 1.628 ±0.000 1.736 0.108 1 2
AlBr Aluminum monobromide rAlBr 2.295   2.403 0.109 1 2
SiBr+ Silicon monobromide cation rSiBr 2.095 ±0.000 2.210 0.115 1 2
ClOF3 Chlorine trifluoride oxide rFCl 1.713 ±0.003 1.830 0.117 1 4
SF Monosulfur monofluoride rSF 1.599   1.716 0.117 1 2
PF2 Phosphorus difluoride rPF 1.579   1.697 0.118 1 2
PF5 Phosphorus pentafluoride rPF 1.534   1.654 0.120 1 2
HCCl Chloromethylene rCCl 1.696 ±0.003 1.819 0.122 1 2
GeCl Germanium monochloride rClGe 2.164 ±0.000 2.287 0.123 1 2
SiH2Cl2 dichlorosilane rSiCl 2.033 ±0.003 2.161 0.128 1 4
SOF4 Sulfur tetrafluoride oxide rFS 1.596 ±0.003 1.724 0.128 1 3
SiH3Cl chlorosilane rSiCl 2.051   2.181 0.130 1 2
SO Sulfur monoxide rS=O 1.481   1.612 0.131 1 2
BrO Bromine monoxide rOBr 1.718   1.849 0.131 1 2
SeCl2 Selenium Dichloride rClSe 2.157 ±0.003 2.294 0.137 1 2
S2 Sulfur diatomic rS=S 1.889   2.030 0.141 1 2
F2SO Thionyl Fluoride rFS 1.585 ±0.000 1.727 0.141 1 3
CFCl chlorofluoromethylene rCCl 1.714   1.858 0.144 1 3
ClO Monochlorine monoxide rClO 1.596 ±0.001 1.740 0.144 1 2
Br2 Bromine diatomic rBrBr 2.281   2.427 0.146 1 2
AlCl Aluminum monochloride rAlCl 2.130 ±0.000 2.277 0.147 1 2
F2SO Thionyl Fluoride rO=S 1.413 ±0.000 1.562 0.149 1 2
SSO Disulfur monoxide rS=O 1.456   1.608 0.152 1 2
SF4 Sulfur tetrafluoride rSF 1.545 ±0.003 1.701 0.156 1 4
HSiCl Chlorosilylene rSiCl 2.067 ±0.003 2.225 0.158 1 2
SiCl Clorosilylidyne rSiCl 2.061 ±0.000 2.219 0.158 1 2
BrCl Bromine monochloride rClBr 2.136 ±0.000 2.296 0.160 1 2
CaH Calcium monohydride rCaH 2.003 ±0.000 2.163 0.161 1 2
SSO Disulfur monoxide rS=S 1.884   2.046 0.162 2 3
SOF4 Sulfur tetrafluoride oxide rFS 1.539 ±0.003 1.704 0.165 1 5
HSSSH trisulfane rSS 2.054 ±0.000 2.222 0.168 1 2
CaC Calcium monocarbide rC#Ca 2.302   2.472 0.171 1 2
NCl nitrogen monochloride rNCl 1.611 ±0.000 1.785 0.175 1 2
OPCl Phosphorus oxychloride rPCl 2.059 ±0.004 2.233 0.175 1 3
ClOF3 Chlorine trifluoride oxide rFCl 1.603 ±0.004 1.779 0.176 1 3
SCl2 Sulfur dichloride rSCl 2.013 ±0.001 2.192 0.180 1 2
Cl2 Chlorine diatomic rClCl 1.988   2.169 0.181 1 2
SCl sulfur monochloride rSCl 1.975   2.162 0.187 1 2
Cl2+ chlorine diatomic cation rClCl 1.892   2.082 0.190 1 2
HClO4 perchloric acid rOCl 1.641 ±0.002 1.840 0.199 1 3
C2H6O2S Dimethyl sulfone rS=O 1.431 ±0.004 1.631 0.200 1 2
CaBr Calcium monobromide rCaBr 2.594 ±0.000 2.794 0.200 1 2
HClO4 perchloric acid rO=Cl 1.414 ±0.001 1.670 0.256 1 2
HClO4 perchloric acid rO=Cl 1.404 ±0.001 1.678 0.274 1 4
CaO Calcium monoxide rOCa 1.822   2.122 0.300 1 2
C4H10O Methyl propyl ether rCH 1.099   1.436 0.337 1 2
Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- rAlCl 2.040 ±0.040 2.378 0.338 1 3
317 molecules.