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Average Bond Length Differences by Model Chemistry

Calculated at PBEPBEultrafine/6-311G*

Species Name Bond type Bond Length (Å)
Experimental unc. Calculated Difference atom1 atom2
C4H10O Methyl propyl ether rCC 1.530   1.102 -0.428 5 13
ScH Scandium monohydride rScH 1.775 ±0.000 1.744 -0.032 1 2
TiCl Titanium Monochloride rClTi 2.265 ±0.000 2.235 -0.030 1 2
C5H8O Methyl cyclopropyl ketone rCH 1.126   1.097 -0.029 3 7
CaC Calcium monocarbide rC#Ca 2.302   2.283 -0.018 1 2
C2H2O2 Ethanedial rCH 1.132   1.120 -0.012 1 3
CH3CH2CH2CH3 Butane rCH 1.117   1.106 -0.011 1 5
C4H8O2 Ethyl acetate rCH 1.105   1.096 -0.009 1 7
LiOH lithium hydroxide rOH 0.969   0.961 -0.008 1 3
C5H6 Propellane rCC 1.596 ±0.005 1.590 -0.006 2 5
C3F6 hexafluoropropene rCF 1.329 ±0.003 1.323 -0.006 1 4
C10H8 Azulene rC:C 1.414   1.410 -0.004 7 9
C5H8 Ethenylcyclopropane rCH 1.099   1.095 -0.004 1 6
CH3NH2 methyl amine rCN 1.471 ±0.003 1.467 -0.004 1 2
LiOH lithium hydroxide rLiO 1.582   1.578 -0.003 1 2
CH3CH2CHO Propanal rCH 1.103   1.100 -0.003 1 6
C2H Ethynyl radical rC#C 1.217   1.214 -0.003 1 2
LiNH2 lithium amide rLiN 1.736 ±0.003 1.733 -0.003 1 2
CaBr Calcium monobromide rCaBr 2.594 ±0.000 2.591 -0.002 1 2
B2H6 Diborane rBH 1.200   1.198 -0.002 1 5
CH3OC2H5 Ethane, methoxy- rCO 1.415 ±0.005 1.414 -0.001 1 2
C5H6 Propellane rCC 1.525 ±0.002 1.524 -0.001 1 2
KH Potassium hydride rKH 2.243 ±0.001 2.242 -0.001 1 2
C5H8 Ethenylcyclopropane rCC 1.475   1.475 0.000 1 2
CrH Chromium hydride rHCr 1.655 ±0.001 1.655 0.000 1 2
C4H8O2 Ethyl acetate rCC 1.515   1.515 0.000 5 6
CH2CHCH2CH3 1-Butene rCC 1.536   1.537 0.001 1 2
C8H8 cubane rCH 1.097   1.099 0.002 1 9
CH3CH2CHO Propanal rCC 1.523   1.525 0.002 1 2
CH3CH2CH2CH3 Butane rCC 1.531   1.533 0.002 1 2
CH3CH2OH Ethanol rCH 1.098   1.100 0.002 1 6
NH4+ ammonium cation rHN 1.029 ±0.000 1.031 0.002 1 2
CH3CH2CHO Propanal rCH 1.105   1.108 0.003 2 8
CH2 Methylene rCH 1.085   1.088 0.003 1 2
CH3CH2CHO Propanal rCC 1.509   1.512 0.003 2 3
CH3OCH3 Dimethyl ether rCO 1.411 ±0.001 1.414 0.003 1 2
C10H8 Azulene rC:C 1.398   1.402 0.004 1 3
C4H8O2 Ethyl acetate rCC 1.508   1.512 0.004 1 2
HeH+ Helium hydride cation rHHe 0.790   0.794 0.004 1 2
CH3CH2CHO Propanal rCH 1.096   1.100 0.004 1 5
C3H6O 2-Propen-1-ol rCH 1.091 ±0.010 1.095 0.004 3 9
C10H8 Azulene rC:C 1.405 ±0.001 1.409 0.004 2 9
CH2NH Methanimine rCH 1.103   1.108 0.005 1 3
HO2 Hydroperoxy radical rOO 1.331   1.335 0.005 1 2
C3H3NO Oxazole rCO 1.370 ±0.002 1.374 0.005 1 5
C3H6O 2-Propen-1-ol rCH 1.092 ±0.010 1.097 0.005 2 7
CH3NH2 methyl amine rNH 1.018 ±0.001 1.023 0.005 2 6
H2Cl+ dihydrogen monochloride cation rHCl 1.321 ±0.000 1.326 0.005 1 2
B2H6 Diborane rBH 1.320   1.325 0.005 1 3
NaF sodium fluoride rNaF 1.926 ±0.000 1.932 0.006 1 2
C2H2O2 Ethanedial rCC 1.526   1.532 0.006 1 2
CN Cyano radical rC#N 1.172   1.178 0.006 1 2
C2H2+ acetylene cation rC=C 1.253 ±0.001 1.259 0.006 1 2
CH3CCH propyne rCH 1.096   1.102 0.006 1 5
H2CSe Selenoformaldehyde rHC 1.090   1.097 0.006 1 3
HOCl hypochlorous acid rOH 0.973 ±0.002 0.979 0.006 1 2
LiF lithium fluoride rLiF 1.564 ±0.000 1.570 0.006 1 2
CH3NO nitrosomethane rCH 1.094   1.100 0.006 1 4
SiH2Cl2 dichlorosilane rSiH 1.480 ±0.015 1.487 0.007 1 2
CH2CO Ketene rCH 1.083   1.089 0.007 1 4
FNO2 Nitryl fluoride rN=O 1.180 ±0.005 1.187 0.007 1 3
HNCNH diiminomethane rC=N 1.224 ±0.001 1.231 0.007 1 2
NO Nitric oxide rN=O 1.154 ±0.000 1.161 0.007 1 2
NO+ nitric oxide cation rN=O 1.066   1.073 0.007 1 2
CH3CHFCH3 2-Fluoropropane rCH 1.093 ±0.006 1.100 0.007 4 8
C2H2 Acetylene rC#C 1.203   1.209 0.007 1 2
C3H3NO Oxazole rCO 1.357 ±0.003 1.364 0.007 1 2
CH3CHFCH3 2-Fluoropropane rCH 1.094 ±0.005 1.101 0.007 4 10
CH3CHS Thioacetaldehyde rCH 1.090   1.097 0.007 2 5
CH3CHS Thioacetaldehyde rCH 1.098   1.105 0.007 2 6
C5H8O Methyl cyclopropyl ketone rCC 1.510   1.518 0.008 2 3
CaO Calcium monoxide rOCa 1.822   1.830 0.008 1 2
CN- cyanide anion rC#N 1.177 ±0.004 1.185 0.008 1 2
CH3OC2H5 Ethane, methoxy- rCH 1.092 ±0.007 1.100 0.008 4 11
C10H8 naphthalene rC:C 1.410   1.418 0.008 2 3
LiCl lithium chloride rLiCl 2.021 ±0.000 2.029 0.008 1 2
C4H8 cyclobutane rCH 1.093   1.102 0.008 1 5
CH2Cl2 Methylene chloride rCH 1.085 ±0.002 1.093 0.008 1 2
C2H2ClF 1-chloro-1-fluoroethylene rCH 1.082 ±0.001 1.090 0.008 2 5
C3H8 Propane rCH 1.096   1.104 0.008 1 4
CO+ carbon monoxide cation rC=O 1.115 ±0.000 1.124 0.008 1 2
FO Oxygen monofluoride rFO 1.354   1.363 0.009 1 2
N3 azide radical rNN 1.181   1.190 0.009 1 2
CH3CHClCH3 Propane, 2-chloro- rCH 1.091   1.100 0.009 2 5
H2 Hydrogen diatomic rHH 0.741   0.750 0.009 1 2
CHF3 Methane, trifluoro- rCH 1.091 ±0.014 1.100 0.009 1 2
BN boron nitride rB=N 1.325   1.334 0.009 1 2
C3H6 Cyclopropane rCH 1.083   1.092 0.009 1 4
OCSe Carbonyl selenide rC=O 1.159   1.168 0.009 1 2
C2H2 Acetylene rCH 1.063   1.072 0.009 1 3
C4H6 Bicyclo[1.1.0]butane rCC 1.497   1.506 0.009 1 2
C3H6O 2-Propen-1-ol rCH 1.102 ±0.020 1.111 0.009 1 6
N2 Nitrogen diatomic rN#N 1.098   1.107 0.010 1 2
H2CSe Selenoformaldehyde rC=Se 1.753   1.763 0.010 1 2
C4H8 cyclobutane rCH 1.091   1.101 0.010 1 6
BO boron monoxide rB=O 1.205   1.214 0.010 1 2
CH2CHCH2CH3 1-Butene rCC 1.493   1.503 0.010 2 3
LiBr Lithium Bromide rLiBr 2.170 ±0.000 2.180 0.010 1 2
ICN Cyanogen iodide rC#N 1.160 ±0.000 1.171 0.010 2 3
CO Carbon monoxide rC#O 1.128 ±0.000 1.139 0.010 1 2
CH3CH2CHO Propanal rCH 1.115   1.125 0.010 3 10
CH3NO nitrosomethane rCH 1.092   1.103 0.011 1 5
CH4 Methane rCH 1.087 ±0.001 1.098 0.011 1 2
CH3OC2H5 Ethane, methoxy- rCH 1.099 ±0.007 1.110 0.011 1 6
CH3OCH3 Dimethyl ether rCH 1.099 ±0.001 1.110 0.011 2 6
C3H6 Cyclopropane rCC 1.501   1.512 0.011 1 2
CH2CO Ketene rC=O 1.162   1.173 0.011 2 3
CH3CHClCH3 Propane, 2-chloro- rCH 1.092   1.103 0.011 3 6
C10H8 Azulene rCH 1.084   1.095 0.011 4 14
HF+ hydrogen fluoride cation rHF 1.014   1.026 0.011 1 2
C10H8 Azulene rCH 1.080   1.091 0.011 9 17
OCSe Carbonyl selenide rC=Se 1.709   1.720 0.011 1 3
C2H5I Ethyl iodide rHC 1.093   1.104 0.011 2 6
CH3CHO Acetaldehyde rCH 1.114   1.125 0.011 1 4
H2CS Thioformaldehyde rC=S 1.611   1.622 0.012 1 2
CH3CCH propyne rCH 1.060   1.072 0.012 3 4
CH3CHO Acetaldehyde rCH 1.086   1.098 0.012 2 5
C3H3NO Oxazole rCH 1.073 ±0.001 1.085 0.012 5 8
C2H2+ acetylene cation rCH 1.077 ±0.005 1.089 0.012 1 3
C3H3NO Oxazole rCH 1.075 ±0.001 1.087 0.012 2 6
CH2CHF Ethene, fluoro- rCH 1.082   1.094 0.012 1 4
BF Boron monofluoride rBF 1.267 ±0.000 1.279 0.012 1 2
CH3OC2H5 Ethane, methoxy- rCH 1.089 ±0.008 1.101 0.012 4 10
LiO lithium oxide rLiO 1.688   1.700 0.012 1 2
CH3OC2H5 Ethane, methoxy- rCH 1.100 ±0.003 1.112 0.012 3 8
CH3Br methyl bromide rCH 1.082 ±0.001 1.094 0.012 1 3
C4H8O2 Ethyl acetate rC=O 1.203   1.215 0.012 2 4
C3H4 cyclopropene rCH 1.088   1.100 0.012 1 6
HS+ sulfur monohydride cation rSH 1.374   1.387 0.012 1 2
C3H3NO Oxazole rCH 1.075 ±0.001 1.087 0.012 4 7
C3F6 hexafluoropropene rC=C 1.329 ±0.003 1.341 0.012 1 2
O2 Oxygen diatomic rO=O 1.208   1.220 0.012 1 2
CH3OC2H5 Ethane, methoxy- rCH 1.086 ±0.010 1.099 0.013 1 5
CH3CH2OH Ethanol rCH 1.088   1.101 0.013 1 5
H2O Water rOH 0.958 ±0.000 0.971 0.013 1 2
C3H6O 2-Propen-1-ol rCH 1.096 ±0.030 1.109 0.013 1 5
CH3CHFCH3 2-Fluoropropane rCH 1.088 ±0.006 1.101 0.013 4 6
CH3OCH3 Dimethyl ether rCH 1.085 ±0.001 1.099 0.014 2 4
CH3CHFCH3 2-Fluoropropane rCH 1.092   1.106 0.014 1 3
CF Fluoromethylidyne rCF 1.276   1.290 0.014 1 2
CH3CHS Thioacetaldehyde rCH 1.089   1.103 0.014 1 4
CH2CHF Ethene, fluoro- rCH 1.077   1.091 0.014 2 5
SCSe Carbon sulfide selenide rC=Se 1.695 ±0.002 1.709 0.014 1 3
CH3OC2H5 Ethane, methoxy- rCO 1.407 ±0.004 1.421 0.014 2 3
C3H4 cyclopropene rCH 1.072   1.087 0.015 2 4
F2 Fluorine diatomic rFF 1.412   1.427 0.015 1 2
C10H8 Azulene rCH 1.081   1.096 0.015 1 11
C3H6O 2-Propen-1-ol rCH 1.078 ±0.010 1.093 0.015 3 8
C10H8 Azulene rCH 1.083   1.098 0.015 5 15
SCSe Carbon sulfide selenide rC=S 1.553 ±0.002 1.568 0.015 1 2
PN Phosphorus mononitride rP#N 1.491   1.506 0.016 1 2
LiH Lithium Hydride rLiH 1.595 ±0.000 1.611 0.016 1 2
C2 Carbon diatomic rC=C 1.243   1.259 0.016 1 2
CSe2 Carbon diselenide rC=Se 1.692 ±0.000 1.708 0.016 1 2
HF Hydrogen fluoride rHF 0.917 ±0.000 0.933 0.016 1 2
OH Hydroxyl radical rOH 0.970   0.986 0.017 1 2
SiH4 Silane rSiH 1.480 ±0.000 1.497 0.017 1 2
ArH+ Argon hydride cation rArH 1.292 ±0.000 1.309 0.017 1 2
SiH3Cl chlorosilane rSiH 1.475   1.492 0.017 1 3
ICN Cyanogen iodide rCI 1.992 ±0.000 2.010 0.018 1 2
C10H8 Azulene rC:C 1.484   1.502 0.018 7 8
C4H8O2 Ethyl acetate rCO 1.345   1.363 0.018 2 3
NSe Nitrogen monoselenide rN=Se 1.652   1.670 0.018 1 2
C10H8 Azulene rC:C 1.377   1.395 0.018 5 7
LiI Lithium Iodide rLiI 2.392 ±0.000 2.410 0.018 1 2
C2H3 vinyl rCH 1.085   1.103 0.018 2 4
CH2F2 Methane, difluoro- rCH 1.084 ±0.003 1.102 0.018 1 2
CH3NH2 methyl amine rCH 1.093 ±0.000 1.111 0.019 1 3
SiH3F monofluorosilane rSiH 1.476   1.495 0.019 1 3
BeH beryllium monohydride rBeH 1.343   1.361 0.019 1 2
HO2 Hydroperoxy radical rOH 0.971   0.990 0.019 1 3
CH2F2 Methane, difluoro- rCF 1.351 ±0.001 1.370 0.019 1 4
BF3 Borane, trifluoro- rBF 1.307   1.326 0.019 1 2
AsH Arsenic monohydride rAsH 1.535 ±0.001 1.554 0.019 1 2
CSe Carbon monoselenide rC=Se 1.676 ±0.000 1.696 0.020 1 2
HSe Selenium monohydride rSeH 1.475 ±0.010 1.495 0.020 1 2
CH3CSNH2 Ethanethioamide rC=S 1.647 ±0.002 1.668 0.021 1 2
CH Methylidyne rCH 1.120   1.142 0.022 1 2
CHF3 Methane, trifluoro- rCF 1.328 ±0.003 1.351 0.023 1 3
HSiCl Chlorosilylene rSiH 1.525 ±0.005 1.548 0.023 1 3
CBr4 Carbon tetrabromide rCBr 1.942 ±0.002 1.965 0.023 1 2
CH2Cl2 Methylene chloride rCCl 1.767 ±0.002 1.790 0.023 1 4
HCl+ hydrogen chloride cation rHCl 1.315   1.338 0.023 1 2
CH3CH2OH Ethanol rCH 1.086   1.110 0.024 2 8
NH2SH Thiohydroxylamine rSH 1.344 ±0.029 1.369 0.025 2 3
SiH3+ Silyl cation rSiH 1.460 ±0.010 1.485 0.025 1 2
CH3Br methyl bromide rCBr 1.934 ±0.000 1.959 0.025 1 2
PH phosphorus monohydride rPH 1.422   1.447 0.025 1 2
SiH2F2 difluorosilane rSiH 1.462   1.487 0.025 1 4
GeO Germanium monoxide rOGe 1.625   1.650 0.025 1 2
AlC Aluminum carbide rC=Al 1.955   1.981 0.025 1 2
HCl Hydrogen chloride rHCl 1.275 ±0.000 1.300 0.026 1 2
CH2I2 Diiodomethane rCH 1.066 ±0.015 1.092 0.026 1 4
CH2Br2 dibromomethane rCBr 1.925 ±0.002 1.951 0.026 1 4
NS Mononitrogen monosulfide rNS 1.497 ±0.000 1.523 0.026 1 2
BH Boron monohydride rBH 1.232   1.259 0.027 1 2
OPCl Phosphorus oxychloride rP=O 1.462 ±0.011 1.489 0.027 1 2
NO- nitric oxide anion rN=O 1.258 ±0.010 1.285 0.027 1 2
HS Mercapto radical rSH 1.341   1.368 0.027 1 2
C3O2 Carbon suboxide rC=O 1.146   1.173 0.027 2 4
C2H Ethynyl radical rCH 1.047   1.074 0.028 1 3
SiO Silicon monoxide rSiO 1.510 ±0.000 1.538 0.028 1 2
HBr+ hydrogen bromide cation rHBr 1.448   1.477 0.028 1 2
NH3BF3 Amminetrifluoroboron rBN 1.673   1.701 0.028 1 2
C3H5 Allyl radical rCH 1.069   1.098 0.029 1 2
OH- hydroxide anion rOH 0.964   0.993 0.029 1 2
As4 Arsenic tetramer rAsAs 2.435   2.464 0.029 1 2
HS- mercapto anion rSH 1.343   1.372 0.029 1 2
C3O2 Carbon suboxide rC=C 1.251   1.280 0.029 1 2
NaCl Sodium Chloride rNaCl 2.361 ±0.000 2.390 0.029 1 2
PS phosphorus sulfide rP=S 1.900   1.929 0.029 1 2
H2Se Hydrogen selenide rSeH 1.460   1.489 0.029 1 2
SiH+ silicon monohydride cation rSiH 1.504   1.534 0.030 1 2
SiP Silicon monophosphide rSiP 2.078 ±0.002 2.107 0.030 1 2
HBr hydrogen bromide rHBr 1.414 ±0.000 1.444 0.030 1 2
AsH3 Arsine rAsH 1.511 ±0.000 1.541 0.030 1 2
B2 Boron diatomic rBB 1.590   1.621 0.031 1 2
SiH3Cl chlorosilane rSiCl 2.051   2.081 0.031 1 2
SiS silicon monosulfide rSiS 1.929 ±0.000 1.960 0.031 1 2
SO+ sulfur monoxide cation rO=S 1.424   1.455 0.031 1 2
SiH Silylidyne rSiH 1.520   1.552 0.032 1 2
C5H8O Cyclopentanone rCC 1.504   1.536 0.032 2 3
GeH3F monofluorogermane rGeH 1.515 ±0.000 1.547 0.033 1 3
AlNC Aluminum isocyanide rAlN 1.855 ±0.005 1.888 0.033 1 2
GeS Germanium monosulfide rS=Ge 2.012 ±0.000 2.045 0.033 1 2
PO Phosphorus monoxide rP=O 1.476   1.509 0.033 1 2
ClO Monochlorine monoxide rClO 1.596 ±0.001 1.629 0.033 1 2
SiH2Cl2 dichlorosilane rSiCl 2.033 ±0.003 2.066 0.033 1 4
NaLi lithium sodium rLiNa 2.889   2.923 0.034 1 2
GeH germylidene rGeH 1.588   1.623 0.035 1 2
SeO2 Selenium dioxide rSeO 1.607 ±0.001 1.643 0.036 1 2
PF5 Phosphorus pentafluoride rFP 1.577   1.613 0.036 1 5
KrH+ Protonated Krypton rHKr 1.421 ±0.000 1.458 0.037 1 2
MgH magnesium monohydride rMgH 1.730   1.767 0.037 1 2
SiH3F monofluorosilane rSiF 1.595   1.632 0.038 1 2
GaF Gallium monofluoride rFGa 1.774 ±0.000 1.813 0.038 1 2
C2H6O2S Dimethyl sulfone rCS 1.777 ±0.006 1.816 0.039 1 4
HI+ Hydrogen iodide cation rHI 1.632 ±0.000 1.672 0.040 1 2
SeO Selenium monoxide rSeO 1.639 ±0.001 1.680 0.040 1 2
Se2 Selenium diatomic rSe=Se 2.166 ±0.001 2.207 0.041 1 2
SiBr+ Silicon monobromide cation rSiBr 2.095 ±0.000 2.137 0.041 1 2
HNO3 Nitric acid rNO 1.406   1.448 0.042 1 2
GeH3F monofluorogermane rGeF 1.731 ±0.000 1.773 0.042 1 2
GeBr4 Germanium tetrabromide rGeBr 2.272 ±0.001 2.314 0.042 1 2
SiCl Clorosilylidyne rSiCl 2.061 ±0.000 2.104 0.043 1 2
SeCl2 Selenium Dichloride rClSe 2.157 ±0.003 2.200 0.043 1 2
SSO Disulfur monoxide rS=O 1.456   1.500 0.043 1 2
SiF silicon monofluoride rSiF 1.604   1.648 0.044 1 2
GeF Germanium monofluoride rFGe 1.745   1.790 0.045 1 2
AlBr Aluminum monobromide rAlBr 2.295   2.340 0.045 1 2
C2H6O2S Dimethyl sulfone rS=O 1.431 ±0.004 1.477 0.046 1 2
S2 Sulfur diatomic rS=S 1.889   1.936 0.046 1 2
AlF Aluminum monofluoride rAlF 1.654 ±0.000 1.701 0.047 1 2
NCl nitrogen monochloride rNCl 1.611 ±0.000 1.658 0.047 1 2
HSiCl Chlorosilylene rSiCl 2.067 ±0.003 2.114 0.047 1 2
SO Sulfur monoxide rS=O 1.481   1.529 0.048 1 2
Br2 Bromine diatomic rBrBr 2.281   2.329 0.048 1 2
GaBr Gallium monobromide rGaBr 2.352 ±0.000 2.400 0.048 1 2
SiF2 Silicon difluoride rFSi 1.590 ±0.000 1.638 0.048 1 2
BrO Bromine monoxide rOBr 1.718   1.766 0.048 1 2
GeCl Germanium monochloride rClGe 2.164 ±0.000 2.212 0.049 1 2
GeF+ Germanium monofluoride cation rFGe 1.665 ±0.000 1.715 0.049 1 2
PF2 Phosphorus difluoride rPF 1.579   1.629 0.049 1 2
HOCl hypochlorous acid rClO 1.697 ±0.001 1.747 0.050 1 3
FNO2 Nitryl fluoride rNF 1.467 ±0.015 1.517 0.050 1 2
PF5 Phosphorus pentafluoride rPF 1.534   1.585 0.051 1 2
SF Monosulfur monofluoride rSF 1.599   1.651 0.052 1 2
AsF Arsenic monofluoride rFAs 1.736 ±0.001 1.789 0.053 1 2
SSO Disulfur monoxide rS=S 1.884   1.938 0.053 2 3
BrCl Bromine monochloride rClBr 2.136 ±0.000 2.192 0.056 1 2
SCl sulfur monochloride rSCl 1.975   2.032 0.057 1 2
IBr Iodine monobromide rBrI 2.469 ±0.000 2.526 0.057 1 2
GaAs Gallium arsenide rGa#As 2.530 ±0.020 2.589 0.059 1 2
Cl2+ chlorine diatomic cation rClCl 1.892   1.954 0.062 1 2
BrF Bromine monofluoride rFBr 1.759 ±0.000 1.821 0.063 1 2
SF4 Sulfur tetrafluoride rSF 1.646 ±0.003 1.711 0.065 1 2
SOF4 Sulfur tetrafluoride oxide rFS 1.596 ±0.003 1.662 0.066 1 3
ClF Chlorine monofluoride rFCl 1.628 ±0.000 1.694 0.066 1 2
C4H8O2 Ethyl acetate rCO 1.448   1.515 0.067 5 6
ICl Iodine monochloride rClI 2.321 ±0.000 2.388 0.067 1 2
Cl2 Chlorine diatomic rClCl 1.988   2.056 0.068 1 2
OPCl Phosphorus oxychloride rPCl 2.059 ±0.004 2.130 0.072 1 3
SF4 Sulfur tetrafluoride rSF 1.545 ±0.003 1.618 0.073 1 4
IF Iodine monofluoride rFI 1.910   1.987 0.078 1 2
CFCl chlorofluoromethylene rCCl 1.714   1.794 0.080 1 3
SOF4 Sulfur tetrafluoride oxide rFS 1.539 ±0.003 1.623 0.084 1 5
ClOF3 Chlorine trifluoride oxide rFCl 1.713 ±0.003 1.809 0.096 1 4
ClOF3 Chlorine trifluoride oxide rFCl 1.603 ±0.004 1.742 0.139 1 3
He2+ helium diatomic cation rHeHe 1.081 ±0.001 1.242 0.162 1 2
C4H10O Methyl propyl ether rCH 1.099   1.414 0.315 1 2
290 molecules.