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Average Bond Length Differences by Model Chemistry

Calculated at M06-2X/aug-cc-pVDZ

Species Name Bond type Bond Length (Å)
Experimental unc. Calculated Difference atom1 atom2
C4H10O Methyl propyl ether rCC 1.530   1.098 -0.432 5 13
Na2 Sodium diatomic rNaNa 3.079   2.963 -0.116 1 2
NaLi lithium sodium rLiNa 2.889   2.840 -0.049 1 2
FNO2 Nitryl fluoride rNF 1.467 ±0.015 1.421 -0.046 1 2
F2 Fluorine diatomic rFF 1.412   1.370 -0.041 1 2
ScH Scandium monohydride rScH 1.775 ±0.000 1.734 -0.041 1 2
C5H6 Propellane rCC 1.596 ±0.005 1.555 -0.041 2 5
C5H8O Methyl cyclopropyl ketone rCH 1.126   1.093 -0.033 3 7
HNO3 Nitric acid rNO 1.406   1.379 -0.027 1 2
FO Oxygen monofluoride rFO 1.354   1.329 -0.025 1 2
HO2 Hydroperoxy radical rOO 1.331   1.307 -0.023 1 2
C2H2O2 Ethanedial rCH 1.132   1.110 -0.022 1 3
NH3BF3 Amminetrifluoroboron rBN 1.673   1.653 -0.020 1 2
LiOH lithium hydroxide rOH 0.969   0.951 -0.018 1 3
O2+ diatomic oxygen cation rOO 1.116   1.098 -0.018 1 2
C3F6 hexafluoropropene rCF 1.329 ±0.003 1.311 -0.018 1 4
CH3CH2CH2CH3 Butane rCH 1.117   1.100 -0.017 1 5
NaH sodium hydride rNaH 1.887 ±0.000 1.871 -0.015 1 2
O2 Oxygen diatomic rO=O 1.208   1.192 -0.015 1 2
C4H8O2 Ethyl acetate rCH 1.105   1.091 -0.014 1 7
C4H6 Bicyclo[1.1.0]butane rCC 1.497   1.484 -0.013 1 2
C5H6 Propellane rCC 1.525 ±0.002 1.512 -0.013 1 2
BN boron nitride rB=N 1.325   1.315 -0.010 1 2
NO Nitric oxide rN=O 1.154 ±0.000 1.144 -0.010 1 2
C5H8 Ethenylcyclopropane rCH 1.099   1.089 -0.010 1 6
C10H8 Azulene rC:C 1.414   1.405 -0.009 7 9
CN Cyano radical rC#N 1.172   1.163 -0.009 1 2
CH3NH2 methyl amine rCN 1.471 ±0.003 1.462 -0.009 1 2
CH3OC2H5 Ethane, methoxy- rCO 1.415 ±0.005 1.407 -0.008 1 2
OCSe Carbonyl selenide rC=O 1.159   1.151 -0.008 1 2
H2CSe Selenoformaldehyde rC=Se 1.753   1.745 -0.008 1 2
CH3CH2CHO Propanal rCH 1.103   1.096 -0.007 1 6
C3H3NO Oxazole rCO 1.357 ±0.003 1.351 -0.007 1 2
C2H Ethynyl radical rC#C 1.217   1.210 -0.007 1 2
NO+ nitric oxide cation rN=O 1.066   1.059 -0.007 1 2
B2H6 Diborane rBH 1.200   1.193 -0.007 1 5
CO+ carbon monoxide cation rC=O 1.115 ±0.000 1.109 -0.006 1 2
C3H3NO Oxazole rCO 1.370 ±0.002 1.364 -0.005 1 5
HOCl hypochlorous acid rOH 0.973 ±0.002 0.968 -0.005 1 2
CH2CHCH2CH3 1-Butene rCC 1.536   1.531 -0.005 1 2
N3 azide radical rNN 1.181   1.176 -0.005 1 2
HClO4 perchloric acid rOH 0.980   0.975 -0.005 3 6
CH3CH2CH2CH3 Butane rCC 1.531   1.526 -0.005 1 2
C8H8 cubane rCH 1.097   1.093 -0.004 1 9
C4H8O2 Ethyl acetate rCC 1.508   1.504 -0.004 1 2
NSe Nitrogen monoselenide rN=Se 1.652   1.648 -0.004 1 2
CH3OCH3 Dimethyl ether rCO 1.411 ±0.001 1.407 -0.004 1 2
CH2NH Methanimine rCH 1.103   1.099 -0.004 1 3
CH3CH2CHO Propanal rCH 1.105   1.101 -0.004 2 8
CH3CH2CHO Propanal rCC 1.509   1.506 -0.003 2 3
As4 Arsenic tetramer rAsAs 2.435   2.432 -0.003 1 2
HCCl Chloromethylene rCH 1.119 ±0.036 1.116 -0.003 1 3
SiH2Cl2 dichlorosilane rSiH 1.480 ±0.015 1.477 -0.003 1 2
FNO2 Nitryl fluoride rN=O 1.180 ±0.005 1.177 -0.003 1 3
C4H8O2 Ethyl acetate rCC 1.515   1.512 -0.003 5 6
NH4+ ammonium cation rHN 1.029 ±0.000 1.026 -0.003 1 2
CH3CH2CHO Propanal rCC 1.523   1.520 -0.003 1 2
CH3NH2 methyl amine rNH 1.018 ±0.001 1.016 -0.002 2 6
P2 Phosphorus diatomic rP#P 1.893   1.891 -0.002 1 2
AsH Arsenic monohydride rAsH 1.535 ±0.001 1.532 -0.002 1 2
PN Phosphorus mononitride rP#N 1.491   1.489 -0.002 1 2
HF+ hydrogen fluoride cation rHF 1.014   1.012 -0.002 1 2
NO- nitric oxide anion rN=O 1.258 ±0.010 1.256 -0.002 1 2
BeO beryllium oxide rBe=O 1.331   1.329 -0.002 1 2
CH3CH2OH Ethanol rCH 1.098   1.096 -0.002 1 6
HSe Selenium monohydride rSeH 1.475 ±0.010 1.474 -0.001 1 2
C10H8 Azulene rC:C 1.398   1.397 -0.001 1 3
CH2CO Ketene rC=O 1.162   1.161 -0.001 2 3
C2H2O2 Ethanedial rCC 1.526   1.525 -0.001 1 2
C2H2+ acetylene cation rC=C 1.253 ±0.001 1.252 -0.001 1 2
BO boron monoxide rB=O 1.205   1.203 -0.001 1 2
CH3CH2CHO Propanal rCH 1.115   1.114 -0.001 3 10
CSe Carbon monoselenide rC=Se 1.676 ±0.000 1.675 -0.001 1 2
C5H8O Methyl cyclopropyl ketone rCC 1.510   1.509 -0.001 2 3
NaF sodium fluoride rNaF 1.926 ±0.000 1.925 -0.001 1 2
CH3CH2CHO Propanal rCH 1.096   1.095 -0.001 1 5
B2H6 Diborane rBH 1.320   1.320 -0.000 1 3
HOBr Hypobromous acid rBrO 1.834   1.834 0.000 2 3
C10H8 Azulene rC:C 1.405 ±0.001 1.404 0.000 2 9
CH2PH Phosphaethene rCH 1.090 ±0.015 1.090 0.000 1 3
C3F6 hexafluoropropene rC=C 1.329 ±0.003 1.329 0.000 1 2
CH2 Methylene rCH 1.085   1.085 0.000 1 2
C3H6O 2-Propen-1-ol rCH 1.091 ±0.010 1.091 0.000 3 9
CO Carbon monoxide rC#O 1.128 ±0.000 1.128 0.000 1 2
CH3CHO Acetaldehyde rCH 1.114   1.114 0.000 1 4
CH3CCH propyne rCH 1.096   1.096 0.000 1 5
N2 Nitrogen diatomic rN#N 1.098   1.098 0.000 1 2
C3H6O 2-Propen-1-ol rCH 1.092 ±0.010 1.093 0.001 2 7
H2CS Thioformaldehyde rC=S 1.611   1.611 0.001 1 2
C3H6O 2-Propen-1-ol rCH 1.102 ±0.020 1.103 0.001 1 6
HNCNH diiminomethane rC=N 1.224 ±0.001 1.225 0.001 1 2
TiCl Titanium Monochloride rClTi 2.265 ±0.000 2.266 0.001 1 2
CH2PH Phosphaethene rCH 1.090 ±0.015 1.091 0.001 1 4
ClO Monochlorine monoxide rClO 1.596 ±0.001 1.597 0.001 1 2
CH2CO Ketene rCH 1.083   1.084 0.001 1 4
C4H8O2 Ethyl acetate rCO 1.345   1.346 0.001 2 3
CN- cyanide anion rC#N 1.177 ±0.004 1.179 0.002 1 2
C5H8 Ethenylcyclopropane rCC 1.475   1.477 0.002 1 2
SiC silicon monocarbide rCSi 1.722   1.724 0.002 1 2
CH3NO nitrosomethane rCH 1.094   1.096 0.002 1 4
CF Fluoromethylidyne rCF 1.276   1.278 0.002 1 2
H2CSe Selenoformaldehyde rHC 1.090   1.092 0.002 1 3
CH3CHS Thioacetaldehyde rCH 1.098   1.100 0.002 2 6
Se2 Selenium diatomic rSe=Se 2.166 ±0.001 2.168 0.002 1 2
CSe2 Carbon diselenide rC=Se 1.692 ±0.000 1.695 0.002 1 2
CH3CHFCH3 2-Fluoropropane rCH 1.093 ±0.006 1.095 0.002 4 8
OH- hydroxide anion rOH 0.964   0.966 0.002 1 2
SiP Silicon monophosphide rSiP 2.078 ±0.002 2.080 0.002 1 2
BeH2 beryllium dihydride rBeH 1.326 ±0.000 1.329 0.003 1 2
C3H8 Propane rCH 1.096   1.099 0.003 1 4
H2Cl+ dihydrogen monochloride cation rHCl 1.321 ±0.000 1.323 0.003 1 2
HOCl hypochlorous acid rClO 1.697 ±0.001 1.700 0.003 1 3
HS+ sulfur monohydride cation rSH 1.374   1.377 0.003 1 2
CH3CHFCH3 2-Fluoropropane rCH 1.094 ±0.005 1.097 0.003 4 10
C4H8 cyclobutane rCH 1.093   1.097 0.003 1 5
CHF3 Methane, trifluoro- rCH 1.091 ±0.014 1.095 0.004 1 2
C4H8O2 Ethyl acetate rC=O 1.203   1.207 0.004 2 4
CH3CHClCH3 Propane, 2-chloro- rCH 1.091   1.095 0.004 2 5
CH3CHS Thioacetaldehyde rCH 1.090   1.094 0.004 2 5
C2H2 Acetylene rC#C 1.203   1.206 0.004 1 2
C3H6 Cyclopropane rCC 1.501   1.505 0.004 1 2
C3H6 Cyclopropane rCH 1.083   1.087 0.004 1 4
SeO2 Selenium dioxide rSeO 1.607 ±0.001 1.611 0.004 1 2
CH3OCH3 Dimethyl ether rCH 1.099 ±0.001 1.103 0.004 2 6
CH3OC2H5 Ethane, methoxy- rCH 1.092 ±0.007 1.096 0.004 4 11
C4H8 cyclobutane rCH 1.091   1.095 0.004 1 6
SCSe Carbon sulfide selenide rC=S 1.553 ±0.002 1.557 0.004 1 2
CH3OC2H5 Ethane, methoxy- rCH 1.099 ±0.007 1.103 0.004 1 6
H2O Water rOH 0.958 ±0.000 0.962 0.004 1 2
HF Hydrogen fluoride rHF 0.917 ±0.000 0.921 0.004 1 2
C2H2ClF 1-chloro-1-fluoroethylene rCH 1.082 ±0.001 1.086 0.005 2 5
HO2 Hydroperoxy radical rOH 0.971   0.975 0.005 1 3
SCSe Carbon sulfide selenide rC=Se 1.695 ±0.002 1.700 0.005 1 3
CH2Cl2 Methylene chloride rCH 1.085 ±0.002 1.090 0.005 1 2
CH3OC2H5 Ethane, methoxy- rCO 1.407 ±0.004 1.412 0.005 2 3
CH3OC2H5 Ethane, methoxy- rCH 1.100 ±0.003 1.105 0.005 3 8
CH2Br2 dibromomethane rCBr 1.925 ±0.002 1.930 0.005 1 4
HSiCl Chlorosilylene rSiH 1.525 ±0.005 1.530 0.005 1 3
CH3NO nitrosomethane rCH 1.092   1.097 0.005 1 5
C3H6O 2-Propen-1-ol rCH 1.096 ±0.030 1.102 0.006 1 5
OH Hydroxyl radical rOH 0.970   0.976 0.006 1 2
C10H8 Azulene rCH 1.084   1.090 0.006 4 14
C3H4 cyclopropene rCH 1.088   1.094 0.006 1 6
CH3CHClCH3 Propane, 2-chloro- rCH 1.092   1.098 0.006 3 6
BH3 boron trihydride rBH 1.190   1.197 0.007 1 2
CH2CHF Ethene, fluoro- rCH 1.082   1.089 0.007 1 4
HOBr Hypobromous acid rOH 0.961   0.968 0.007 1 2
SiH3F monofluorosilane rSiH 1.476   1.483 0.007 1 3
C10H8 Azulene rCH 1.080   1.086 0.007 9 17
NS Mononitrogen monosulfide rNS 1.497 ±0.000 1.504 0.007 1 2
CH Methylidyne rCH 1.120   1.127 0.007 1 2
SiH3Cl chlorosilane rSiH 1.475   1.482 0.007 1 3
CH3CHFCH3 2-Fluoropropane rCH 1.092   1.099 0.007 1 3
CH4 Methane rCH 1.087 ±0.001 1.094 0.007 1 2
CH3CHO Acetaldehyde rCH 1.086   1.094 0.008 2 5
CH3OC2H5 Ethane, methoxy- rCH 1.089 ±0.008 1.097 0.008 4 10
LiH Lithium Hydride rLiH 1.595 ±0.000 1.603 0.008 1 2
SiH4 Silane rSiH 1.480 ±0.000 1.488 0.008 1 2
C3H3NO Oxazole rCH 1.075 ±0.001 1.083 0.008 4 7
CH2CHCH2CH3 1-Butene rCC 1.493   1.501 0.008 2 3
BeH beryllium monohydride rBeH 1.343   1.351 0.008 1 2
C2H2 Acetylene rCH 1.063   1.071 0.008 1 3
C3H3NO Oxazole rCH 1.075 ±0.001 1.083 0.008 2 6
C3H3NO Oxazole rCH 1.073 ±0.001 1.082 0.008 5 8
CH3Br methyl bromide rCH 1.082 ±0.001 1.091 0.009 1 3
CH3OC2H5 Ethane, methoxy- rCH 1.086 ±0.010 1.095 0.009 1 5
BH Boron monohydride rBH 1.232   1.241 0.009 1 2
CH3CH2OH Ethanol rCH 1.088   1.097 0.009 1 5
CH3Br methyl bromide rCBr 1.934 ±0.000 1.943 0.009 1 2
C10H8 naphthalene rC:C 1.410   1.419 0.009 2 3
C10H8 Azulene rC:C 1.484   1.493 0.009 7 8
HCCl Chloromethylene rCCl 1.696 ±0.003 1.705 0.009 1 2
SeO Selenium monoxide rSeO 1.639 ±0.001 1.649 0.009 1 2
NH2SH Thiohydroxylamine rSH 1.344 ±0.029 1.353 0.009 2 3
CH3CHFCH3 2-Fluoropropane rCH 1.088 ±0.006 1.097 0.009 4 6
CH3CSNH2 Ethanethioamide rC=S 1.647 ±0.002 1.656 0.009 1 2
GeO Germanium monoxide rOGe 1.625   1.634 0.009 1 2
CH3OCH3 Dimethyl ether rCH 1.085 ±0.001 1.094 0.009 2 4
CH3CHS Thioacetaldehyde rCH 1.089   1.098 0.009 1 4
CH3NH2 methyl amine rCH 1.093 ±0.000 1.102 0.009 1 3
CH3CCH propyne rCH 1.060   1.070 0.009 3 4
LiO lithium oxide rLiO 1.688   1.698 0.010 1 2
C3H4 cyclopropene rCH 1.072   1.082 0.010 2 4
LiOH lithium hydroxide rLiO 1.582   1.592 0.010 1 2
PS phosphorus sulfide rP=S 1.900   1.910 0.010 1 2
CH2F2 Methane, difluoro- rCF 1.351 ±0.001 1.361 0.010 1 4
C10H8 Azulene rCH 1.083   1.093 0.010 5 15
C10H8 Azulene rCH 1.081   1.092 0.010 1 11
CHF3 Methane, trifluoro- rCF 1.328 ±0.003 1.339 0.010 1 3
HeH+ Helium hydride cation rHHe 0.790   0.800 0.010 1 2
OCSe Carbonyl selenide rC=Se 1.709   1.719 0.010 1 3
CH2CHF Ethene, fluoro- rCH 1.077   1.087 0.010 2 5
BrF Bromine monofluoride rFBr 1.759 ±0.000 1.769 0.010 1 2
CH2Cl2 Methylene chloride rCCl 1.767 ±0.002 1.777 0.010 1 4
C3H6O 2-Propen-1-ol rCH 1.078 ±0.010 1.089 0.011 3 8
LiNH2 lithium amide rLiN 1.736 ±0.003 1.747 0.011 1 2
C2H3 vinyl rCH 1.085   1.096 0.011 2 4
H2Se Hydrogen selenide rSeH 1.460   1.471 0.011 1 2
CH3CH2O Ethoxy radical rCH 1.085   1.096 0.011 1 5
HBr hydrogen bromide rHBr 1.414 ±0.000 1.426 0.011 1 2
SiH Silylidyne rSiH 1.520   1.532 0.011 1 2
SeCl2 Selenium Dichloride rClSe 2.157 ±0.003 2.168 0.011 1 2
PH phosphorus monohydride rPH 1.422   1.434 0.012 1 2
CH3CH2O Ethoxy radical rCH 1.086   1.098 0.012 1 4
C3O2 Carbon suboxide rC=O 1.146   1.158 0.012 2 4
HBr+ hydrogen bromide cation rHBr 1.448   1.460 0.012 1 2
CH2F2 Methane, difluoro- rCH 1.084 ±0.003 1.096 0.012 1 2
C2H2+ acetylene cation rCH 1.077 ±0.005 1.089 0.012 1 3
ArH+ Argon hydride cation rArH 1.292 ±0.000 1.304 0.012 1 2
NH2CONH2 Urea rNH 0.998   1.010 0.012 4 8
NaCl Sodium Chloride rNaCl 2.361 ±0.000 2.374 0.013 1 2
GeS Germanium monosulfide rS=Ge 2.012 ±0.000 2.025 0.013 1 2
H2 Hydrogen diatomic rHH 0.741   0.755 0.013 1 2
SiH2F2 difluorosilane rSiH 1.462   1.475 0.013 1 4
SO+ sulfur monoxide cation rO=S 1.424   1.437 0.013 1 2
HS Mercapto radical rSH 1.341   1.354 0.013 1 2
LiF lithium fluoride rLiF 1.564 ±0.000 1.577 0.013 1 2
HS- mercapto anion rSH 1.343   1.357 0.013 1 2
GeH germylidene rGeH 1.588   1.602 0.014 1 2
C10H8 Azulene rC:C 1.377   1.391 0.014 5 7
AsH3 Arsine rAsH 1.511 ±0.000 1.525 0.014 1 2
C2 Carbon diatomic rC=C 1.243   1.257 0.014 1 2
HCl Hydrogen chloride rHCl 1.275 ±0.000 1.290 0.015 1 2
CH3CH2OH Ethanol rCH 1.086   1.102 0.016 2 8
BF3 Borane, trifluoro- rBF 1.307   1.323 0.016 1 2
SiH3+ Silyl cation rSiH 1.460 ±0.010 1.476 0.016 1 2
C2H6O2S Dimethyl sulfone rCS 1.777 ±0.006 1.793 0.016 1 4
SiS silicon monosulfide rSiS 1.929 ±0.000 1.946 0.016 1 2
KrH+ Protonated Krypton rHKr 1.421 ±0.000 1.438 0.017 1 2
ClOF3 Chlorine trifluoride oxide rFCl 1.713 ±0.003 1.730 0.017 1 4
ClF Chlorine monofluoride rFCl 1.628 ±0.000 1.646 0.018 1 2
BF Boron monofluoride rBF 1.267 ±0.000 1.285 0.018 1 2
SiH+ silicon monohydride cation rSiH 1.504   1.523 0.018 1 2
MgH magnesium monohydride rMgH 1.730   1.748 0.019 1 2
Br2 Bromine diatomic rBrBr 2.281   2.300 0.019 1 2
HCl+ hydrogen chloride cation rHCl 1.315   1.334 0.019 1 2
BrO Bromine monoxide rOBr 1.718   1.737 0.020 1 2
SSO Disulfur monoxide rS=S 1.884   1.904 0.020 2 3
CH3CH2O Ethoxy radical rCH 1.088   1.109 0.021 2 7
S2 Sulfur diatomic rS=S 1.889   1.911 0.022 1 2
OPCl Phosphorus oxychloride rP=O 1.462 ±0.011 1.484 0.022 1 2
BrCl Bromine monochloride rClBr 2.136 ±0.000 2.159 0.023 1 2
C5H8O Cyclopentanone rCC 1.504   1.527 0.023 2 3
Cl2+ chlorine diatomic cation rClCl 1.892   1.915 0.023 1 2
SiO Silicon monoxide rSiO 1.510 ±0.000 1.533 0.023 1 2
GeBr4 Germanium tetrabromide rGeBr 2.272 ±0.001 2.295 0.023 1 2
C3H5 Allyl radical rCH 1.069   1.092 0.023 1 2
PO Phosphorus monoxide rP=O 1.476   1.500 0.024 1 2
GeH3F monofluorogermane rGeH 1.515 ±0.000 1.539 0.025 1 3
GaF Gallium monofluoride rFGa 1.774 ±0.000 1.799 0.025 1 2
C2H Ethynyl radical rCH 1.047   1.073 0.026 1 3
HSSSH trisulfane rSS 2.054 ±0.000 2.082 0.028 1 2
LiCl lithium chloride rLiCl 2.021 ±0.000 2.049 0.028 1 2
SSO Disulfur monoxide rS=O 1.456   1.486 0.030 1 2
SO Sulfur monoxide rS=O 1.481   1.511 0.030 1 2
GeF+ Germanium monofluoride cation rFGe 1.665 ±0.000 1.695 0.030 1 2
PF5 Phosphorus pentafluoride rFP 1.577   1.607 0.030 1 5
GeH3F monofluorogermane rGeF 1.731 ±0.000 1.761 0.030 1 2
C3O2 Carbon suboxide rC=C 1.251   1.281 0.030 1 2
AsF Arsenic monofluoride rFAs 1.736 ±0.001 1.767 0.031 1 2
GeF Germanium monofluoride rFGe 1.745   1.777 0.031 1 2
SCl sulfur monochloride rSCl 1.975   2.007 0.032 1 2
Cl2 Chlorine diatomic rClCl 1.988   2.020 0.032 1 2
SOF4 Sulfur tetrafluoride oxide rFS 1.596 ±0.003 1.628 0.032 1 3
SCl2 Sulfur dichloride rSCl 2.013 ±0.001 2.045 0.032 1 2
SF Monosulfur monofluoride rSF 1.599   1.632 0.032 1 2
HClO4 perchloric acid rOCl 1.641 ±0.002 1.674 0.033 1 3
SF4 Sulfur tetrafluoride rSF 1.646 ±0.003 1.679 0.033 1 2
AlF Aluminum monofluoride rAlF 1.654 ±0.000 1.688 0.033 1 2
NCl nitrogen monochloride rNCl 1.611 ±0.000 1.646 0.035 1 2
AlC Aluminum carbide rC=Al 1.955   1.990 0.035 1 2
F2SO Thionyl Fluoride rO=S 1.413 ±0.000 1.449 0.036 1 2
CrH Chromium hydride rHCr 1.655 ±0.001 1.692 0.037 1 2
HClO4 perchloric acid rO=Cl 1.414 ±0.001 1.452 0.038 1 2
ClOF3 Chlorine trifluoride oxide rFCl 1.603 ±0.004 1.642 0.039 1 3
SiBr+ Silicon monobromide cation rSiBr 2.095 ±0.000 2.134 0.039 1 2
B2 Boron diatomic rBB 1.590   1.629 0.039 1 2
LiBr Lithium Bromide rLiBr 2.170 ±0.000 2.210 0.039 1 2
CFCl chlorofluoromethylene rCCl 1.714   1.754 0.040 1 3
SiH2Cl2 dichlorosilane rSiCl 2.033 ±0.003 2.073 0.040 1 4
PF5 Phosphorus pentafluoride rPF 1.534   1.574 0.040 1 2
SiH3Cl chlorosilane rSiCl 2.051   2.091 0.040 1 2
He2+ helium diatomic cation rHeHe 1.081 ±0.001 1.122 0.041 1 2
SF4 Sulfur tetrafluoride rSF 1.545 ±0.003 1.588 0.043 1 4
OPCl Phosphorus oxychloride rPCl 2.059 ±0.004 2.102 0.043 1 3
SOF4 Sulfur tetrafluoride oxide rFS 1.539 ±0.003 1.584 0.045 1 5
AlNC Aluminum isocyanide rAlN 1.855 ±0.005 1.900 0.045 1 2
SiCl Clorosilylidyne rSiCl 2.061 ±0.000 2.108 0.046 1 2
F2SO Thionyl Fluoride rFS 1.585 ±0.000 1.632 0.047 1 3
GeCl Germanium monochloride rClGe 2.164 ±0.000 2.211 0.047 1 2
Li2 Lithium diatomic rLiLi 2.673   2.721 0.048 1 2
PF2 Phosphorus difluoride rPF 1.579   1.628 0.049 1 2
GaAs Gallium arsenide rGa#As 2.530 ±0.020 2.579 0.049 1 2
C2H6O2S Dimethyl sulfone rS=O 1.431 ±0.004 1.481 0.050 1 2
SiH3F monofluorosilane rSiF 1.595   1.644 0.050 1 2
SiF silicon monofluoride rSiF 1.604   1.655 0.050 1 2
HSiCl Chlorosilylene rSiCl 2.067 ±0.003 2.118 0.051 1 2
SiF2 Silicon difluoride rFSi 1.590 ±0.000 1.643 0.053 1 2
HClO4 perchloric acid rO=Cl 1.404 ±0.001 1.461 0.057 1 4
AlCl Aluminum monochloride rAlCl 2.130 ±0.000 2.194 0.064 1 2
C4H8O2 Ethyl acetate rCO 1.448   1.512 0.064 5 6
GaBr Gallium monobromide rGaBr 2.352 ±0.000 2.418 0.065 1 2
AlBr Aluminum monobromide rAlBr 2.295   2.365 0.071 1 2
Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- rAlCl 2.040 ±0.040 2.295 0.255 1 3
C4H10O Methyl propyl ether rCH 1.099   1.406 0.307 1 2
305 molecules.