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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 PBE1PBE/aug-cc-pVDZ

Species Name Bond type Bond Length (Å)
Experimental unc. Calculated Difference atom1 atom2
C4H10O Methyl propyl ether rCC 1.530   1.100 -0.430 5 13
C5H8O Methyl cyclopropyl ketone rCH 1.126   1.094 -0.032 3 7
ScH Scandium monohydride rScH 1.775 ±0.000 1.745 -0.031 1 2
TiCl Titanium Monochloride rClTi 2.265 ±0.000 2.236 -0.029 1 2
F2 Fluorine diatomic rFF 1.412   1.384 -0.028 1 2
NH3BF3 Amminetrifluoroboron rBN 1.673   1.645 -0.028 1 2
C5H6 Propellane rCC 1.596 ±0.005 1.571 -0.025 2 5
HNO3 Nitric acid rNO 1.406   1.385 -0.021 1 2
HO2 Hydroperoxy radical rOO 1.331   1.310 -0.020 1 2
FO Oxygen monofluoride rFO 1.354   1.334 -0.020 1 2
C2H2O2 Ethanedial rCH 1.132   1.113 -0.019 1 3
LiOH lithium hydroxide rOH 0.969   0.951 -0.018 1 3
C3F6 hexafluoropropene rCF 1.329 ±0.003 1.311 -0.018 1 4
FNO2 Nitryl fluoride rNF 1.467 ±0.015 1.449 -0.018 1 2
CH3CH2CH2CH3 Butane rCH 1.117   1.102 -0.015 1 5
CH3NH2 methyl amine rCN 1.471 ±0.003 1.457 -0.014 1 2
C4H8O2 Ethyl acetate rCH 1.105   1.093 -0.012 1 7
O2+ diatomic oxygen cation rOO 1.116   1.104 -0.012 1 2
O2 Oxygen diatomic rO=O 1.208   1.196 -0.011 1 2
CH3OC2H5 Ethane, methoxy- rCO 1.415 ±0.005 1.404 -0.011 1 2
C5H6 Propellane rCC 1.525 ±0.002 1.515 -0.010 1 2
C10H8 Azulene rC:C 1.414   1.405 -0.009 7 9
CH3CH2CHO Propanal rCC 1.509   1.501 -0.008 2 3
CH2CHCH2CH3 1-Butene rCC 1.536   1.528 -0.008 1 2
C4H8O2 Ethyl acetate rCC 1.508   1.500 -0.008 1 2
C5H8 Ethenylcyclopropane rCH 1.099   1.091 -0.008 1 6
C4H6 Bicyclo[1.1.0]butane rCC 1.497   1.490 -0.007 1 2
CH3CH2CH2CH3 Butane rCC 1.531   1.524 -0.007 1 2
C4H8O2 Ethyl acetate rCC 1.515   1.509 -0.006 5 6
C2H2O2 Ethanedial rCC 1.526   1.520 -0.006 1 2
HClO4 perchloric acid rOH 0.980   0.974 -0.006 3 6
CH3CH2CHO Propanal rCC 1.523   1.517 -0.006 1 2
NO Nitric oxide rN=O 1.154 ±0.000 1.148 -0.006 1 2
CH3CH2CHO Propanal rCH 1.103   1.097 -0.006 1 6
CH3OCH3 Dimethyl ether rCO 1.411 ±0.001 1.405 -0.006 1 2
C3H3NO Oxazole rCO 1.357 ±0.003 1.352 -0.006 1 2
H2CSe Selenoformaldehyde rC=Se 1.753   1.747 -0.006 1 2
HOCl hypochlorous acid rOH 0.973 ±0.002 0.968 -0.005 1 2
C3H3NO Oxazole rCO 1.370 ±0.002 1.365 -0.005 1 5
C5H8O Methyl cyclopropyl ketone rCC 1.510   1.506 -0.004 2 3
C2H Ethynyl radical rC#C 1.217   1.213 -0.004 1 2
FNO2 Nitryl fluoride rN=O 1.180 ±0.005 1.176 -0.004 1 3
NH4+ ammonium cation rHN 1.029 ±0.000 1.025 -0.004 1 2
HF+ hydrogen fluoride cation rHF 1.014   1.012 -0.003 1 2
NO- nitric oxide anion rN=O 1.258 ±0.010 1.255 -0.003 1 2
C5H8 Ethenylcyclopropane rCC 1.475   1.472 -0.003 1 2
CH3NH2 methyl amine rNH 1.018 ±0.001 1.016 -0.003 2 6
BN boron nitride rB=N 1.325   1.323 -0.002 1 2
NO+ nitric oxide cation rN=O 1.066   1.064 -0.002 1 2
N3 azide radical rNN 1.181   1.179 -0.002 1 2
C8H8 cubane rCH 1.097   1.095 -0.002 1 9
C10H8 Azulene rC:C 1.398   1.397 -0.001 1 3
OCSe Carbonyl selenide rC=O 1.159   1.158 -0.001 1 2
CO+ carbon monoxide cation rC=O 1.115 ±0.000 1.114 -0.001 1 2
CH3CH2CHO Propanal rCH 1.105   1.104 -0.001 2 8
CH2NH Methanimine rCH 1.103   1.102 -0.001 1 3
CN Cyano radical rC#N 1.172   1.171 -0.001 1 2
C10H8 Azulene rC:C 1.405 ±0.001 1.404 -0.001 2 9
B2H6 Diborane rBH 1.200   1.199 -0.001 1 5
NSe Nitrogen monoselenide rN=Se 1.652   1.651 -0.001 1 2
CH3CH2OH Ethanol rCH 1.098   1.098 0.000 1 6
C4H8O2 Ethyl acetate rCO 1.345   1.346 0.001 2 3
CH3CH2CHO Propanal rCH 1.096   1.097 0.001 1 5
C3H6O 2-Propen-1-ol rCH 1.091 ±0.010 1.092 0.001 3 9
CH2PH Phosphaethene rCH 1.090 ±0.015 1.091 0.001 1 3
H2Cl+ dihydrogen monochloride cation rHCl 1.321 ±0.000 1.322 0.001 1 2
C2H2+ acetylene cation rC=C 1.253 ±0.001 1.254 0.001 1 2
HSe Selenium monohydride rSeH 1.475 ±0.010 1.477 0.002 1 2
NaH sodium hydride rNaH 1.887 ±0.000 1.889 0.002 1 2
C3H6O 2-Propen-1-ol rCH 1.092 ±0.010 1.094 0.002 2 7
HNCNH diiminomethane rC=N 1.224 ±0.001 1.226 0.002 1 2
CH2CO Ketene rC=O 1.162   1.164 0.002 2 3
As4 Arsenic tetramer rAsAs 2.435   2.437 0.002 1 2
AsH Arsenic monohydride rAsH 1.535 ±0.001 1.537 0.002 1 2
HCCl Chloromethylene rCH 1.119 ±0.036 1.121 0.002 1 3
CH2 Methylene rCH 1.085   1.087 0.002 1 2
CH3CCH propyne rCH 1.096   1.098 0.002 1 5
OH- hydroxide anion rOH 0.964   0.966 0.002 1 2
BO boron monoxide rB=O 1.205   1.207 0.003 1 2
CSe Carbon monoselenide rC=Se 1.676 ±0.000 1.679 0.003 1 2
CH2PH Phosphaethene rCH 1.090 ±0.015 1.093 0.003 1 4
SCSe Carbon sulfide selenide rC=Se 1.695 ±0.002 1.698 0.003 1 3
CH2Br2 dibromomethane rCBr 1.925 ±0.002 1.928 0.003 1 4
OCSe Carbonyl selenide rC=Se 1.709   1.712 0.003 1 3
C3F6 hexafluoropropene rC=C 1.329 ±0.003 1.332 0.003 1 2
CSe2 Carbon diselenide rC=Se 1.692 ±0.000 1.695 0.003 1 2
CH3CH2CHO Propanal rCH 1.115   1.118 0.003 3 10
C3H6 Cyclopropane rCC 1.501   1.504 0.003 1 2
CH3CHO Acetaldehyde rCH 1.114   1.118 0.004 1 4
CH2CO Ketene rCH 1.083   1.086 0.004 1 4
CH3NO nitrosomethane rCH 1.094   1.098 0.004 1 4
CO Carbon monoxide rC#O 1.128 ±0.000 1.132 0.004 1 2
H2O Water rOH 0.958 ±0.000 0.962 0.004 1 2
CH3OC2H5 Ethane, methoxy- rCO 1.407 ±0.004 1.411 0.004 2 3
CH2CHCH2CH3 1-Butene rCC 1.493   1.497 0.004 2 3
C3H6O 2-Propen-1-ol rCH 1.102 ±0.020 1.106 0.004 1 6
CH3CHFCH3 2-Fluoropropane rCH 1.093 ±0.006 1.097 0.004 4 8
CH3Br methyl bromide rCBr 1.934 ±0.000 1.938 0.004 1 2
N2 Nitrogen diatomic rN#N 1.098   1.102 0.004 1 2
H2CS Thioformaldehyde rC=S 1.611   1.615 0.004 1 2
HeH+ Helium hydride cation rHHe 0.790   0.794 0.004 1 2
H2CSe Selenoformaldehyde rHC 1.090   1.095 0.004 1 3
CH3CHS Thioacetaldehyde rCH 1.098   1.102 0.004 2 6
CH3CHFCH3 2-Fluoropropane rCH 1.094 ±0.005 1.098 0.004 4 10
HF Hydrogen fluoride rHF 0.917 ±0.000 0.921 0.005 1 2
B2H6 Diborane rBH 1.320   1.325 0.005 1 3
C3H8 Propane rCH 1.096   1.101 0.005 1 4
CH3CHS Thioacetaldehyde rCH 1.090   1.095 0.005 2 5
C4H8 cyclobutane rCH 1.093   1.099 0.005 1 5
ClO Monochlorine monoxide rClO 1.596 ±0.001 1.601 0.005 1 2
CN- cyanide anion rC#N 1.177 ±0.004 1.182 0.005 1 2
C10H8 naphthalene rC:C 1.410   1.415 0.005 2 3
HO2 Hydroperoxy radical rOH 0.971   0.976 0.005 1 3
SiH2Cl2 dichlorosilane rSiH 1.480 ±0.015 1.486 0.006 1 2
CH3OC2H5 Ethane, methoxy- rCH 1.092 ±0.007 1.098 0.006 4 11
C2H2ClF 1-chloro-1-fluoroethylene rCH 1.082 ±0.001 1.088 0.006 2 5
HOBr Hypobromous acid rBrO 1.834   1.840 0.006 2 3
CHONH2 formamide rNH 1.001   1.007 0.006 3 6
OH Hydroxyl radical rOH 0.970   0.976 0.006 1 2
CH3CHClCH3 Propane, 2-chloro- rCH 1.091   1.097 0.006 2 5
C4H8O2 Ethyl acetate rC=O 1.203   1.209 0.006 2 4
CH3OCH3 Dimethyl ether rCH 1.099 ±0.001 1.105 0.006 2 6
C2H2 Acetylene rC#C 1.203   1.209 0.006 1 2
CH3OC2H5 Ethane, methoxy- rCH 1.099 ±0.007 1.105 0.006 1 6
C3H6 Cyclopropane rCH 1.083   1.089 0.006 1 4
CHF3 Methane, trifluoro- rCH 1.091 ±0.014 1.097 0.006 1 2
HCCl Chloromethylene rCCl 1.696 ±0.003 1.702 0.006 1 2
BeO beryllium oxide rBe=O 1.331   1.337 0.006 1 2
C4H8 cyclobutane rCH 1.091   1.098 0.007 1 6
HOBr Hypobromous acid rOH 0.961   0.968 0.007 1 2
CH2Cl2 Methylene chloride rCCl 1.767 ±0.002 1.774 0.007 1 4
Se2 Selenium diatomic rSe=Se 2.166 ±0.001 2.173 0.007 1 2
PN Phosphorus mononitride rP#N 1.491   1.498 0.007 1 2
CF Fluoromethylidyne rCF 1.276   1.283 0.007 1 2
CH3OC2H5 Ethane, methoxy- rCH 1.100 ±0.003 1.107 0.007 3 8
CH2Cl2 Methylene chloride rCH 1.085 ±0.002 1.092 0.007 1 2
C10H8 Azulene rC:C 1.484   1.492 0.008 7 8
C10H8 Azulene rCH 1.084   1.092 0.008 4 14
CH3NO nitrosomethane rCH 1.092   1.100 0.008 1 5
C3H6O 2-Propen-1-ol rCH 1.096 ±0.030 1.104 0.008 1 5
P2 Phosphorus diatomic rP#P 1.893   1.901 0.008 1 2
HOCl hypochlorous acid rClO 1.697 ±0.001 1.705 0.008 1 3
ArH+ Argon hydride cation rArH 1.292 ±0.000 1.300 0.008 1 2
CH3CHClCH3 Propane, 2-chloro- rCH 1.092   1.100 0.008 3 6
C10H8 Azulene rCH 1.080   1.088 0.008 9 17
SCSe Carbon sulfide selenide rC=S 1.553 ±0.002 1.561 0.008 1 2
CH2CHF Ethene, fluoro- rCH 1.082   1.090 0.008 1 4
CHONH2 formamide rNH 1.001   1.010 0.009 3 5
SiC silicon monocarbide rCSi 1.722   1.730 0.009 1 2
C2H2 Acetylene rCH 1.063   1.072 0.009 1 3
HS+ sulfur monohydride cation rSH 1.374   1.383 0.009 1 2
CH4 Methane rCH 1.087 ±0.001 1.096 0.009 1 2
CH3OC2H5 Ethane, methoxy- rCH 1.089 ±0.008 1.098 0.009 4 10
C3H4 cyclopropene rCH 1.088   1.097 0.009 1 6
CH3CHO Acetaldehyde rCH 1.086   1.095 0.009 2 5
C3H3NO Oxazole rCH 1.075 ±0.001 1.084 0.009 2 6
CH3CHFCH3 2-Fluoropropane rCH 1.092   1.102 0.010 1 3
C3H3NO Oxazole rCH 1.075 ±0.001 1.085 0.010 4 7
C3H3NO Oxazole rCH 1.073 ±0.001 1.083 0.010 5 8
CH3CCH propyne rCH 1.060   1.070 0.010 3 4
CH3OC2H5 Ethane, methoxy- rCH 1.086 ±0.010 1.096 0.010 1 5
CrH Chromium hydride rHCr 1.655 ±0.001 1.665 0.010 1 2
CH3CH2OH Ethanol rCH 1.088   1.098 0.010 1 5
CH3CHFCH3 2-Fluoropropane rCH 1.088 ±0.006 1.099 0.011 4 6
CH3Br methyl bromide rCH 1.082 ±0.001 1.093 0.011 1 3
SeCl2 Selenium Dichloride rClSe 2.157 ±0.003 2.168 0.011 1 2
CH3OCH3 Dimethyl ether rCH 1.085 ±0.001 1.096 0.011 2 4
C10H8 Azulene rCH 1.083   1.094 0.011 5 15
CH2F2 Methane, difluoro- rCF 1.351 ±0.001 1.362 0.011 1 4
CH3CSNH2 Ethanethioamide rC=S 1.647 ±0.002 1.658 0.011 1 2
CH3CHS Thioacetaldehyde rCH 1.089   1.100 0.011 1 4
C3H4 cyclopropene rCH 1.072   1.084 0.012 2 4
C10H8 Azulene rCH 1.081   1.093 0.012 1 11
HBr hydrogen bromide rHBr 1.414 ±0.000 1.426 0.012 1 2
CH2CHF Ethene, fluoro- rCH 1.077   1.089 0.012 2 5
CHF3 Methane, trifluoro- rCF 1.328 ±0.003 1.340 0.012 1 3
BeH2 beryllium dihydride rBeH 1.326 ±0.000 1.338 0.012 1 2
NH2CONH2 Urea rNH 0.998   1.010 0.012 4 8
C3H6O 2-Propen-1-ol rCH 1.078 ±0.010 1.090 0.012 3 8
C2H2+ acetylene cation rCH 1.077 ±0.005 1.089 0.012 1 3
CH3NH2 methyl amine rCH 1.093 ±0.000 1.105 0.012 1 3
BH3 boron trihydride rBH 1.190   1.203 0.013 1 2
H2Se Hydrogen selenide rSeH 1.460   1.473 0.013 1 2
LiNH2 lithium amide rLiN 1.736 ±0.003 1.749 0.013 1 2
SiP Silicon monophosphide rSiP 2.078 ±0.002 2.090 0.013 1 2
KrH+ Protonated Krypton rHKr 1.421 ±0.000 1.434 0.013 1 2
HBr+ hydrogen bromide cation rHBr 1.448   1.462 0.013 1 2
GeO Germanium monoxide rOGe 1.625   1.638 0.013 1 2
NaF sodium fluoride rNaF 1.926 ±0.000 1.940 0.014 1 2
NS Mononitrogen monosulfide rNS 1.497 ±0.000 1.511 0.014 1 2
C10H8 Azulene rC:C 1.377   1.391 0.014 5 7
NH2SH Thiohydroxylamine rSH 1.344 ±0.029 1.358 0.014 2 3
LiOH lithium hydroxide rLiO 1.582   1.596 0.014 1 2
C2H3 vinyl rCH 1.085   1.099 0.014 2 4
SeO2 Selenium dioxide rSeO 1.607 ±0.001 1.621 0.014 1 2
CH2F2 Methane, difluoro- rCH 1.084 ±0.003 1.099 0.015 1 2
GeS Germanium monosulfide rS=Ge 2.012 ±0.000 2.027 0.015 1 2
SeO Selenium monoxide rSeO 1.639 ±0.001 1.655 0.015 1 2
BeH beryllium monohydride rBeH 1.343   1.358 0.015 1 2
HS- mercapto anion rSH 1.343   1.359 0.015 1 2
SiH3F monofluorosilane rSiH 1.476   1.492 0.016 1 3
HCl Hydrogen chloride rHCl 1.275 ±0.000 1.291 0.016 1 2
SiH4 Silane rSiH 1.480 ±0.000 1.496 0.016 1 2
CH Methylidyne rCH 1.120   1.136 0.016 1 2
SiH3Cl chlorosilane rSiH 1.475   1.491 0.016 1 3
LiH Lithium Hydride rLiH 1.595 ±0.000 1.611 0.016 1 2
AsH3 Arsine rAsH 1.511 ±0.000 1.527 0.016 1 2
BF3 Borane, trifluoro- rBF 1.307   1.324 0.017 1 2
C3O2 Carbon suboxide rC=O 1.146   1.163 0.017 2 4
C2 Carbon diatomic rC=C 1.243   1.259 0.017 1 2
PS phosphorus sulfide rP=S 1.900   1.917 0.017 1 2
LiO lithium oxide rLiO 1.688   1.706 0.018 1 2
HS Mercapto radical rSH 1.341   1.359 0.018 1 2
HSiCl Chlorosilylene rSiH 1.525 ±0.005 1.543 0.018 1 3
C2H6O2S Dimethyl sulfone rCS 1.777 ±0.006 1.795 0.018 1 4
GeH germylidene rGeH 1.588   1.606 0.018 1 2
BrF Bromine monofluoride rFBr 1.759 ±0.000 1.777 0.018 1 2
CH3CH2OH Ethanol rCH 1.086   1.104 0.018 2 8
C5H8O Cyclopentanone rCC 1.504   1.522 0.018 2 3
Br2 Bromine diatomic rBrBr 2.281   2.300 0.019 1 2
LiF lithium fluoride rLiF 1.564 ±0.000 1.583 0.019 1 2
H2 Hydrogen diatomic rHH 0.741   0.761 0.019 1 2
PH phosphorus monohydride rPH 1.422   1.442 0.019 1 2
BrO Bromine monoxide rOBr 1.718   1.737 0.020 1 2
GeBr4 Germanium tetrabromide rGeBr 2.272 ±0.001 2.292 0.020 1 2
NaCl Sodium Chloride rNaCl 2.361 ±0.000 2.381 0.020 1 2
HCl+ hydrogen chloride cation rHCl 1.315   1.334 0.020 1 2
BF Boron monofluoride rBF 1.267 ±0.000 1.287 0.020 1 2
BrCl Bromine monochloride rClBr 2.136 ±0.000 2.157 0.020 1 2
GeH3F monofluorogermane rGeH 1.515 ±0.000 1.535 0.021 1 3
BH Boron monohydride rBH 1.232   1.254 0.021 1 2
MgH magnesium monohydride rMgH 1.730   1.751 0.022 1 2
SiH2F2 difluorosilane rSiH 1.462   1.484 0.022 1 4
SO+ sulfur monoxide cation rO=S 1.424   1.447 0.023 1 2
SiS silicon monosulfide rSiS 1.929 ±0.000 1.953 0.024 1 2
SiH3+ Silyl cation rSiH 1.460 ±0.010 1.484 0.024 1 2
ClF Chlorine monofluoride rFCl 1.628 ±0.000 1.654 0.025 1 2
S2 Sulfur diatomic rS=S 1.889   1.915 0.025 1 2
SiH Silylidyne rSiH 1.520   1.545 0.025 1 2
C3H5 Allyl radical rCH 1.069   1.094 0.025 1 2
NCl nitrogen monochloride rNCl 1.611 ±0.000 1.636 0.026 1 2
C2H Ethynyl radical rCH 1.047   1.073 0.027 1 3
Cl2 Chlorine diatomic rClCl 1.988   2.015 0.027 1 2
Cl2+ chlorine diatomic cation rClCl 1.892   1.919 0.027 1 2
C3O2 Carbon suboxide rC=C 1.251   1.280 0.029 1 2
SCl sulfur monochloride rSCl 1.975   2.004 0.029 1 2
GaF Gallium monofluoride rFGa 1.774 ±0.000 1.803 0.029 1 2
SCl2 Sulfur dichloride rSCl 2.013 ±0.001 2.043 0.030 1 2
SSO Disulfur monoxide rS=S 1.884   1.914 0.030 2 3
NaLi lithium sodium rLiNa 2.889   2.919 0.030 1 2
SiH+ silicon monohydride cation rSiH 1.504   1.535 0.031 1 2
SiO Silicon monoxide rSiO 1.510 ±0.000 1.541 0.032 1 2
OPCl Phosphorus oxychloride rP=O 1.462 ±0.011 1.494 0.032 1 2
LiCl lithium chloride rLiCl 2.021 ±0.000 2.053 0.032 1 2
PO Phosphorus monoxide rP=O 1.476   1.508 0.032 1 2
GeH3F monofluorogermane rGeF 1.731 ±0.000 1.764 0.033 1 2
AsF Arsenic monofluoride rFAs 1.736 ±0.001 1.769 0.033 1 2
GeF+ Germanium monofluoride cation rFGe 1.665 ±0.000 1.699 0.033 1 2
GeF Germanium monofluoride rFGe 1.745   1.779 0.034 1 2
LiBr Lithium Bromide rLiBr 2.170 ±0.000 2.205 0.035 1 2
SO Sulfur monoxide rS=O 1.481   1.516 0.035 1 2
PF5 Phosphorus pentafluoride rFP 1.577   1.613 0.036 1 5
CFCl chlorofluoromethylene rCCl 1.714   1.750 0.036 1 3
GeCl Germanium monochloride rClGe 2.164 ±0.000 2.200 0.036 1 2
B2 Boron diatomic rBB 1.590   1.628 0.038 1 2
SF Monosulfur monofluoride rSF 1.599   1.638 0.039 1 2
AlC Aluminum carbide rC=Al 1.955   1.994 0.039 1 2
SSO Disulfur monoxide rS=O 1.456   1.495 0.039 1 2
SiH3Cl chlorosilane rSiCl 2.051   2.090 0.039 1 2
ClOF3 Chlorine trifluoride oxide rFCl 1.713 ±0.003 1.752 0.039 1 4
SiBr+ Silicon monobromide cation rSiBr 2.095 ±0.000 2.135 0.039 1 2
OPCl Phosphorus oxychloride rPCl 2.059 ±0.004 2.099 0.040 1 3
GaAs Gallium arsenide rGa#As 2.530 ±0.020 2.571 0.041 1 2
SiH2Cl2 dichlorosilane rSiCl 2.033 ±0.003 2.074 0.041 1 4
AlF Aluminum monofluoride rAlF 1.654 ±0.000 1.696 0.042 1 2
F2SO Thionyl Fluoride rO=S 1.413 ±0.000 1.454 0.042 1 2
HClO4 perchloric acid rO=Cl 1.414 ±0.001 1.456 0.042 1 2
SOF4 Sulfur tetrafluoride oxide rFS 1.596 ±0.003 1.638 0.042 1 3
SF4 Sulfur tetrafluoride rSF 1.646 ±0.003 1.690 0.044 1 2
AlNC Aluminum isocyanide rAlN 1.855 ±0.005 1.899 0.045 1 2
GaBr Gallium monobromide rGaBr 2.352 ±0.000 2.398 0.045 1 2
SiCl Clorosilylidyne rSiCl 2.061 ±0.000 2.107 0.045 1 2
PF5 Phosphorus pentafluoride rPF 1.534   1.581 0.047 1 2
HSiCl Chlorosilylene rSiCl 2.067 ±0.003 2.116 0.049 1 2
He2+ helium diatomic cation rHeHe 1.081 ±0.001 1.131 0.050 1 2
C2H6O2S Dimethyl sulfone rS=O 1.431 ±0.004 1.484 0.053 1 2
SF4 Sulfur tetrafluoride rSF 1.545 ±0.003 1.599 0.054 1 4
SiH3F monofluorosilane rSiF 1.595   1.649 0.054 1 2
PF2 Phosphorus difluoride rPF 1.579   1.635 0.056 1 2
HClO4 perchloric acid rOCl 1.641 ±0.002 1.697 0.056 1 3
SOF4 Sulfur tetrafluoride oxide rFS 1.539 ±0.003 1.595 0.056 1 5
SiF silicon monofluoride rSiF 1.604   1.662 0.057 1 2
SiF2 Silicon difluoride rFSi 1.590 ±0.000 1.649 0.059 1 2
F2SO Thionyl Fluoride rFS 1.585 ±0.000 1.645 0.060 1 3
C4H8O2 Ethyl acetate rCO 1.448   1.509 0.061 5 6
AlBr Aluminum monobromide rAlBr 2.295   2.356 0.061 1 2
HClO4 perchloric acid rO=Cl 1.404 ±0.001 1.466 0.062 1 4
AlCl Aluminum monochloride rAlCl 2.130 ±0.000 2.193 0.063 1 2
ClOF3 Chlorine trifluoride oxide rFCl 1.603 ±0.004 1.668 0.065 1 3
Li2 Lithium diatomic rLiLi 2.673   2.744 0.071 1 2
Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- rAlCl 2.040 ±0.040 2.299 0.259 1 3
C4H10O Methyl propyl ether rCH 1.099   1.404 0.305 1 2
302 molecules.