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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 PBEPBE/aug-cc-pVDZ

Species Name Bond type Bond Length (Å)
Experimental unc. Calculated Difference atom1 atom2
C4H10O Methyl propyl ether rCC 1.530   1.107 -0.423 5 13
TiCl Titanium Monochloride rClTi 2.265 ±0.000 2.223 -0.042 1 2
C5H8O Methyl cyclopropyl ketone rCH 1.126   1.102 -0.024 3 7
ScH Scandium monohydride rScH 1.775 ±0.000 1.757 -0.019 1 2
NH3BF3 Amminetrifluoroboron rBN 1.673   1.665 -0.008 1 2
C2H2O2 Ethanedial rCH 1.132   1.124 -0.008 1 3
LiOH lithium hydroxide rOH 0.969   0.962 -0.007 1 3
CH3CH2CH2CH3 Butane rCH 1.117   1.110 -0.007 1 5
C4H8O2 Ethyl acetate rCH 1.105   1.101 -0.004 1 7
C5H6 Propellane rCC 1.596 ±0.005 1.594 -0.002 2 5
CH3NH2 methyl amine rCN 1.471 ±0.003 1.470 -0.001 1 2
CrH Chromium hydride rHCr 1.655 ±0.001 1.655 0.000 1 2
C3F6 hexafluoropropene rCF 1.329 ±0.003 1.329 0.000 1 4
C5H8 Ethenylcyclopropane rCH 1.099   1.099 0.000 1 6
C10H8 Azulene rC:C 1.414   1.415 0.001 7 9
CH3CH2CHO Propanal rCC 1.509   1.510 0.001 2 3
CH3CH2CHO Propanal rCH 1.103   1.105 0.002 1 6
C5H8 Ethenylcyclopropane rCC 1.475   1.477 0.002 1 2
C4H8O2 Ethyl acetate rCC 1.515   1.517 0.002 5 6
C4H8O2 Ethyl acetate rCC 1.508   1.510 0.002 1 2
CH2CHCH2CH3 1-Butene rCC 1.536   1.539 0.003 1 2
CH3CH2CHO Propanal rCC 1.523   1.526 0.003 1 2
CH3CH2CH2CH3 Butane rCC 1.531   1.534 0.003 1 2
C5H6 Propellane rCC 1.525 ±0.002 1.528 0.003 1 2
C2H2O2 Ethanedial rCC 1.526   1.530 0.004 1 2
NaH sodium hydride rNaH 1.887 ±0.000 1.891 0.004 1 2
NH4+ ammonium cation rHN 1.029 ±0.000 1.034 0.005 1 2
CH3OC2H5 Ethane, methoxy- rCO 1.415 ±0.005 1.420 0.005 1 2
B2H6 Diborane rBH 1.200   1.206 0.006 1 5
HClO4 perchloric acid rOH 0.980   0.986 0.006 3 6
HO2 Hydroperoxy radical rOO 1.331   1.337 0.006 1 2
C8H8 cubane rCH 1.097   1.103 0.006 1 9
C5H8O Methyl cyclopropyl ketone rCC 1.510   1.517 0.007 2 3
CH3CH(NH2)COOH Alanine rCC 1.544   1.551 0.007 3 4
CH3NH2 methyl amine rNH 1.018 ±0.001 1.025 0.007 2 6
CH3CH2CHO Propanal rCH 1.105   1.112 0.007 2 8
CH3CH2OH Ethanol rCH 1.098   1.106 0.008 1 6
C2H Ethynyl radical rC#C 1.217   1.224 0.008 1 2
HOCl hypochlorous acid rOH 0.973 ±0.002 0.981 0.008 1 2
CH2NH Methanimine rCH 1.103   1.111 0.008 1 3
C10H8 Azulene rC:C 1.398   1.407 0.009 1 3
CH3CH2CHO Propanal rCH 1.096   1.105 0.009 1 5
C3H3NO Oxazole rCO 1.370 ±0.002 1.378 0.009 1 5
C3H6O 2-Propen-1-ol rCH 1.091 ±0.010 1.100 0.009 3 9
F2 Fluorine diatomic rFF 1.412   1.421 0.009 1 2
CH2PH Phosphaethene rCH 1.090 ±0.015 1.099 0.009 1 3
FO Oxygen monofluoride rFO 1.354   1.363 0.009 1 2
C10H8 Azulene rC:C 1.405 ±0.001 1.414 0.010 2 9
CH3OCH3 Dimethyl ether rCO 1.411 ±0.001 1.421 0.010 1 2
C6H12 Cyclohexane rCH 1.101   1.111 0.010 1 7
CH2 Methylene rCH 1.085   1.095 0.010 1 2
C3H6O 2-Propen-1-ol rCH 1.092 ±0.010 1.102 0.010 2 7
FNO2 Nitryl fluoride rN=O 1.180 ±0.005 1.190 0.010 1 3
C3H3NO Oxazole rCO 1.357 ±0.003 1.368 0.010 1 2
CH2PH Phosphaethene rCH 1.090 ±0.015 1.101 0.011 1 4
CH3CCH propyne rCH 1.096   1.107 0.011 1 5
C4H6 Bicyclo[1.1.0]butane rCC 1.497   1.508 0.011 1 2
CH2CHCH2CH3 1-Butene rCC 1.493   1.504 0.011 2 3
CH3CHFCH3 2-Fluoropropane rCH 1.093 ±0.006 1.104 0.011 4 8
CH2CO Ketene rCH 1.083   1.094 0.011 1 4
CH3NO nitrosomethane rCH 1.094   1.106 0.012 1 4
B2H6 Diborane rBH 1.320   1.332 0.012 1 3
O2+ diatomic oxygen cation rOO 1.116   1.128 0.012 1 2
CH3CHFCH3 2-Fluoropropane rCH 1.094 ±0.005 1.106 0.012 4 10
NO Nitric oxide rN=O 1.154 ±0.000 1.166 0.012 1 2
H2CSe Selenoformaldehyde rHC 1.090   1.103 0.012 1 3
C3H6O 2-Propen-1-ol rCH 1.102 ±0.020 1.114 0.012 1 6
C4H8 cyclobutane rCH 1.093   1.106 0.013 1 5
CH3CHS Thioacetaldehyde rCH 1.098   1.111 0.013 2 6
CH3CHS Thioacetaldehyde rCH 1.090   1.103 0.013 2 5
C3H8 Propane rCH 1.096   1.109 0.013 1 4
C10H8 naphthalene rC:C 1.410   1.423 0.013 2 3
H2CSe Selenoformaldehyde rC=Se 1.753   1.766 0.013 1 2
CH3OC2H5 Ethane, methoxy- rCH 1.092 ±0.007 1.105 0.013 4 11
C2H2ClF 1-chloro-1-fluoroethylene rCH 1.082 ±0.001 1.095 0.013 2 5
HeH+ Helium hydride cation rHHe 0.790   0.803 0.013 1 2
H2Cl+ dihydrogen monochloride cation rHCl 1.321 ±0.000 1.334 0.014 1 2
CN Cyano radical rC#N 1.172   1.185 0.014 1 2
OCSe Carbonyl selenide rC=Se 1.709   1.723 0.014 1 3
C2H2+ acetylene cation rC=C 1.253 ±0.001 1.266 0.014 1 2
C3H6 Cyclopropane rCH 1.083   1.097 0.014 1 4
NO- nitric oxide anion rN=O 1.258 ±0.010 1.272 0.014 1 2
CH3CH2CHO Propanal rCH 1.115   1.129 0.014 3 10
CH3CHClCH3 Propane, 2-chloro- rCH 1.091   1.105 0.014 2 5
HF+ hydrogen fluoride cation rHF 1.014   1.029 0.014 1 2
HNCNH diiminomethane rC=N 1.224 ±0.001 1.238 0.014 1 2
C4H8 cyclobutane rCH 1.091   1.105 0.014 1 6
C6H12 Cyclohexane rCH 1.093   1.108 0.014 1 13
NO+ nitric oxide cation rN=O 1.066   1.080 0.015 1 2
O2 Oxygen diatomic rO=O 1.208   1.222 0.015 1 2
CH3CHO Acetaldehyde rCH 1.114   1.129 0.015 1 4
CH3OC2H5 Ethane, methoxy- rCH 1.099 ±0.007 1.114 0.015 1 6
C3H6 Cyclopropane rCC 1.501   1.516 0.015 1 2
OH- hydroxide anion rOH 0.964   0.979 0.015 1 2
N3 azide radical rNN 1.181   1.196 0.015 1 2
CH3OCH3 Dimethyl ether rCH 1.099 ±0.001 1.114 0.015 2 6
CHF3 Methane, trifluoro- rCH 1.091 ±0.014 1.106 0.015 1 2
C2H2 Acetylene rCH 1.063   1.078 0.015 1 3
CH2Cl2 Methylene chloride rCH 1.085 ±0.002 1.100 0.015 1 2
H2O Water rOH 0.958 ±0.000 0.973 0.015 1 2
HCCl Chloromethylene rCH 1.119 ±0.036 1.134 0.016 1 3
CHONH2 formamide rNH 1.001   1.017 0.016 3 6
CO+ carbon monoxide cation rC=O 1.115 ±0.000 1.131 0.016 1 2
C10H8 Azulene rCH 1.084   1.100 0.016 4 14
BN boron nitride rB=N 1.325   1.341 0.016 1 2
CH3OC2H5 Ethane, methoxy- rCH 1.100 ±0.003 1.116 0.016 3 8
CH3SeH Methane selenol rSeH 1.473 ±0.020 1.489 0.016 1 3
C10H8 Azulene rCH 1.080   1.095 0.016 9 17
CH3CHClCH3 Propane, 2-chloro- rCH 1.092   1.108 0.016 3 6
CH3NO nitrosomethane rCH 1.092   1.108 0.016 1 5
HSe Selenium monohydride rSeH 1.475 ±0.010 1.491 0.016 1 2
CH4 Methane rCH 1.087 ±0.001 1.103 0.016 1 2
C3H6O 2-Propen-1-ol rCH 1.096 ±0.030 1.112 0.016 1 5
CH3CCH propyne rCH 1.060   1.076 0.016 3 4
OCSe Carbonyl selenide rC=O 1.159   1.175 0.017 1 2
CH2CHF Ethene, fluoro- rCH 1.082   1.099 0.017 1 4
SiH2Cl2 dichlorosilane rSiH 1.480 ±0.015 1.497 0.017 1 2
DF Hydrofluoric acid-d rDF 0.917 ±0.000 0.934 0.017 1 2
CH3OC2H5 Ethane, methoxy- rCH 1.089 ±0.008 1.106 0.017 4 10
CH3CHO Acetaldehyde rCH 1.086   1.103 0.017 2 5
C3H4 cyclopropene rCH 1.088   1.105 0.017 1 6
C3H3NO Oxazole rCH 1.075 ±0.001 1.092 0.017 2 6
BO boron monoxide rB=O 1.205   1.222 0.017 1 2
CH2CO Ketene rC=O 1.162   1.179 0.017 2 3
BeH2 beryllium dihydride rBeH 1.326 ±0.000 1.344 0.017 1 2
C2H2 Acetylene rC#C 1.203   1.220 0.017 1 2
CO Carbon monoxide rC#O 1.128 ±0.000 1.146 0.017 1 2
HF Hydrogen fluoride rHF 0.917 ±0.000 0.934 0.017 1 2
C3H3NO Oxazole rCH 1.073 ±0.001 1.091 0.017 5 8
COBr2 Carbonic dibromide rC=O 1.172 ±0.003 1.189 0.018 1 2
C3F6 hexafluoropropene rC=C 1.329 ±0.003 1.347 0.018 1 2
C3H3NO Oxazole rCH 1.075 ±0.001 1.093 0.018 4 7
CH3CHFCH3 2-Fluoropropane rCH 1.092   1.110 0.018 1 3
CN- cyanide anion rC#N 1.177 ±0.004 1.195 0.018 1 2
CH3OC2H5 Ethane, methoxy- rCH 1.086 ±0.010 1.104 0.018 1 5
CHONH2 formamide rNH 1.001   1.019 0.018 3 5
N2 Nitrogen diatomic rN#N 1.098   1.116 0.018 1 2
CH3CH2OH Ethanol rCH 1.088   1.106 0.018 1 5
CH3Br methyl bromide rCH 1.082 ±0.001 1.100 0.018 1 3
AsH Arsenic monohydride rAsH 1.535 ±0.001 1.553 0.018 1 2
SCSe Carbon sulfide selenide rC=Se 1.695 ±0.002 1.714 0.019 1 3
CH3CHFCH3 2-Fluoropropane rCH 1.088 ±0.006 1.107 0.019 4 6
OH Hydroxyl radical rOH 0.970   0.988 0.019 1 2
CH3OCH3 Dimethyl ether rCH 1.085 ±0.001 1.104 0.019 2 4
C10H8 Azulene rC:C 1.484   1.503 0.019 7 8
CBr4 Carbon tetrabromide rCBr 1.942 ±0.002 1.961 0.019 1 2
CH2CHF Ethene, fluoro- rCH 1.077   1.096 0.019 2 5
H2CS Thioformaldehyde rC=S 1.611   1.630 0.019 1 2
BH3 boron trihydride rBH 1.190   1.209 0.019 1 2
C10H8 Azulene rCH 1.083   1.102 0.019 5 15
HOBr Hypobromous acid rOH 0.961   0.980 0.019 1 2
C3H4 cyclopropene rCH 1.072   1.092 0.020 2 4
C2H2+ acetylene cation rCH 1.077 ±0.005 1.096 0.020 1 3
C10H8 Azulene rCH 1.081   1.101 0.020 1 11
C3H6O 2-Propen-1-ol rCH 1.078 ±0.010 1.098 0.020 3 8
C4H8O2 Ethyl acetate rC=O 1.203   1.223 0.020 2 4
ArH+ Argon hydride cation rArH 1.292 ±0.000 1.312 0.020 1 2
CSe2 Carbon diselenide rC=Se 1.692 ±0.000 1.712 0.020 1 2
CH3CHS Thioacetaldehyde rCH 1.089   1.109 0.020 1 4
CH3CH2O Ethoxy radical rCH 1.085   1.105 0.020 1 5
C4H8O2 Ethyl acetate rCO 1.345   1.366 0.021 2 3
HO2 Hydroperoxy radical rOH 0.971   0.992 0.021 1 3
CH3CH2O Ethoxy radical rCH 1.086   1.107 0.021 1 4
CH3NH2 methyl amine rCH 1.093 ±0.000 1.114 0.021 1 3
CH3OC2H5 Ethane, methoxy- rCO 1.407 ±0.004 1.428 0.021 2 3
NH2CONH2 Urea rNH 0.998   1.019 0.022 4 8
CH3CH(NH2)COOH Alanine rCC 1.509   1.531 0.022 2 3
HS+ sulfur monohydride cation rSH 1.374   1.397 0.023 1 2
LiNH2 lithium amide rLiN 1.736 ±0.003 1.759 0.023 1 2
BeH beryllium monohydride rBeH 1.343   1.365 0.023 1 2
C10H8 Azulene rC:C 1.377   1.400 0.023 5 7
NaLi lithium sodium rLiNa 2.889   2.912 0.023 1 2
As2 Arsenic diatomic rAs#As 2.103   2.126 0.023 1 2
LiOH lithium hydroxide rLiO 1.582   1.605 0.023 1 2
C2H3 vinyl rCH 1.085   1.108 0.023 2 4
CH2F2 Methane, difluoro- rCH 1.084 ±0.003 1.107 0.023 1 2
NSe Nitrogen monoselenide rN=Se 1.652   1.675 0.024 1 2
CSe Carbon monoselenide rC=Se 1.676 ±0.000 1.700 0.024 1 2
SCSe Carbon sulfide selenide rC=S 1.553 ±0.002 1.577 0.024 1 2
CH2Br2 dibromomethane rCBr 1.925 ±0.002 1.949 0.024 1 4
CH3CSNH2 Ethanethioamide rC=S 1.647 ±0.002 1.671 0.024 1 2
HBr hydrogen bromide rHBr 1.414 ±0.000 1.439 0.025 1 2
SiH4 Silane rSiH 1.480 ±0.000 1.505 0.025 1 2
CF Fluoromethylidyne rCF 1.276   1.302 0.026 1 2
CH2Cl2 Methylene chloride rCCl 1.767 ±0.002 1.793 0.026 1 4
ClO Monochlorine monoxide rClO 1.596 ±0.001 1.622 0.026 1 2
HCCl Chloromethylene rCCl 1.696 ±0.003 1.722 0.026 1 2
C2 Carbon diatomic rC=C 1.243   1.269 0.026 1 2
CBrClF2 Methane, bromochlorodifluoro- rCBr 1.932 ±0.004 1.958 0.026 1 2
SiH3F monofluorosilane rSiH 1.476   1.502 0.026 1 3
D2 Deuterium diatomic rDD 0.742   0.768 0.027 1 2
CH3CH2OH Ethanol rCH 1.086   1.113 0.027 2 8
CH3Br methyl bromide rCBr 1.934 ±0.000 1.961 0.027 1 2
SiH3Cl chlorosilane rSiH 1.475   1.502 0.027 1 3
H2 Hydrogen diatomic rHH 0.741   0.768 0.027 1 2
HD Deuterium hydride rDH 0.741   0.768 0.027 1 2
CHBr3 bromoform rCBr 1.924 ±0.005 1.951 0.027 1 3
KrH+ Protonated Krypton rHKr 1.421 ±0.000 1.448 0.027 1 2
SiC silicon monocarbide rCSi 1.722   1.749 0.027 1 2
DCl Hydrochloric acid-d rDCl 1.275 ±0.000 1.302 0.027 1 2
HS- mercapto anion rSH 1.343   1.370 0.027 1 2
NH2SH Thiohydroxylamine rSH 1.344 ±0.029 1.371 0.027 2 3
H2Se Hydrogen selenide rSeH 1.460   1.487 0.027 1 2
HCl Hydrogen chloride rHCl 1.275 ±0.000 1.302 0.027 1 2
HBr+ hydrogen bromide cation rHBr 1.448   1.476 0.028 1 2
BeO beryllium oxide rBe=O 1.331   1.359 0.028 1 2
PN Phosphorus mononitride rP#N 1.491   1.519 0.028 1 2
CH Methylidyne rCH 1.120   1.149 0.029 1 2
NaCl Sodium Chloride rNaCl 2.361 ±0.000 2.390 0.029 1 2
HS Mercapto radical rSH 1.341   1.371 0.030 1 2
CH2F2 Methane, difluoro- rCF 1.351 ±0.001 1.381 0.030 1 4
C5H8O Cyclopentanone rCC 1.504   1.534 0.030 2 3
CHF3 Methane, trifluoro- rCF 1.328 ±0.003 1.360 0.031 1 3
AsH3 Arsine rAsH 1.511 ±0.000 1.542 0.032 1 2
P2 Phosphorus diatomic rP#P 1.893   1.926 0.032 1 2
NaF sodium fluoride rNaF 1.926 ±0.000 1.958 0.032 1 2
PH phosphorus monohydride rPH 1.422   1.455 0.033 1 2
As4 Arsenic tetramer rAsAs 2.435   2.468 0.033 1 2
GeH3F monofluorogermane rGeH 1.515 ±0.000 1.548 0.033 1 3
HCl+ hydrogen chloride cation rHCl 1.315   1.348 0.033 1 2
BF Boron monofluoride rBF 1.267 ±0.000 1.300 0.033 1 2
BH Boron monohydride rBH 1.232   1.266 0.033 1 2
C3O2 Carbon suboxide rC=O 1.146   1.179 0.033 2 4
LiF lithium fluoride rLiF 1.564 ±0.000 1.597 0.033 1 2
C3H5 Allyl radical rCH 1.069   1.103 0.034 1 2
SiH2F2 difluorosilane rSiH 1.462   1.495 0.034 1 4
LiO lithium oxide rLiO 1.688   1.722 0.034 1 2
C2H Ethynyl radical rCH 1.047   1.081 0.034 1 3
HSiCl Chlorosilylene rSiH 1.525 ±0.005 1.559 0.034 1 3
NS Mononitrogen monosulfide rNS 1.497 ±0.000 1.532 0.035 1 2
GeH germylidene rGeH 1.588   1.623 0.035 1 2
SiH3+ Silyl cation rSiH 1.460 ±0.010 1.496 0.036 1 2
MgH magnesium monohydride rMgH 1.730   1.766 0.036 1 2
HNO3 Nitric acid rNO 1.406   1.443 0.037 1 2
C3O2 Carbon suboxide rC=C 1.251   1.288 0.037 1 2
SiP Silicon monophosphide rSiP 2.078 ±0.002 2.117 0.039 1 2
Se2 Selenium diatomic rSe=Se 2.166 ±0.001 2.205 0.039 1 2
GeO Germanium monoxide rOGe 1.625   1.664 0.039 1 2
SeCl2 Selenium Dichloride rClSe 2.157 ±0.003 2.197 0.040 1 2
LiCl lithium chloride rLiCl 2.021 ±0.000 2.061 0.040 1 2
BrO Bromine monoxide rOBr 1.718   1.758 0.040 1 2
SiH Silylidyne rSiH 1.520   1.560 0.040 1 2
NCl nitrogen monochloride rNCl 1.611 ±0.000 1.651 0.040 1 2
GeS Germanium monosulfide rS=Ge 2.012 ±0.000 2.053 0.040 1 2
CH3CH2O Ethoxy radical rCH 1.088   1.129 0.041 2 7
PS phosphorus sulfide rP=S 1.900   1.941 0.041 1 2
HOBr Hypobromous acid rBrO 1.834   1.876 0.042 2 3
AsF5 Arsenic pentafluoride rAsF 1.711 ±0.005 1.753 0.042 1 5
B2 Boron diatomic rBB 1.590   1.632 0.042 1 2
LiBr Lithium Bromide rLiBr 2.170 ±0.000 2.213 0.042 1 2
HOCl hypochlorous acid rClO 1.697 ±0.001 1.740 0.043 1 3
SeO Selenium monoxide rSeO 1.639 ±0.001 1.685 0.046 1 2
SiS silicon monosulfide rSiS 1.929 ±0.000 1.975 0.046 1 2
SiH+ silicon monohydride cation rSiH 1.504   1.551 0.047 1 2
GeBr4 Germanium tetrabromide rGeBr 2.272 ±0.001 2.319 0.047 1 2
AlC Aluminum carbide rC=Al 1.955   2.003 0.048 1 2
C2H6O2S Dimethyl sulfone rCS 1.777 ±0.006 1.825 0.048 1 4
SeO2 Selenium dioxide rSeO 1.607 ±0.001 1.655 0.048 1 2
BrF Bromine monofluoride rFBr 1.759 ±0.000 1.808 0.049 1 2
Br2 Bromine diatomic rBrBr 2.281   2.330 0.049 1 2
SCl sulfur monochloride rSCl 1.975   2.026 0.050 1 2
SO+ sulfur monoxide cation rO=S 1.424   1.474 0.050 1 2
HSSSH trisulfane rSS 2.054 ±0.000 2.104 0.050 1 2
BrCl Bromine monochloride rClBr 2.136 ±0.000 2.187 0.051 1 2
S2 Sulfur diatomic rS=S 1.889   1.941 0.052 1 2
SiO Silicon monoxide rSiO 1.510 ±0.000 1.563 0.054 1 2
OPCl Phosphorus oxychloride rP=O 1.462 ±0.011 1.516 0.054 1 2
SiH3Cl chlorosilane rSiCl 2.051   2.105 0.055 1 2
Cl2 Chlorine diatomic rClCl 1.988   2.043 0.055 1 2
GaF Gallium monofluoride rFGa 1.774 ±0.000 1.830 0.055 1 2
PO Phosphorus monoxide rP=O 1.476   1.532 0.056 1 2
ClF Chlorine monofluoride rFCl 1.628 ±0.000 1.685 0.056 1 2
GeCl Germanium monochloride rClGe 2.164 ±0.000 2.220 0.056 1 2
SCl2 Sulfur dichloride rSCl 2.013 ±0.001 2.069 0.057 1 2
SiH2Cl2 dichlorosilane rSiCl 2.033 ±0.003 2.091 0.058 1 4
GeH3F monofluorogermane rGeF 1.731 ±0.000 1.789 0.058 1 2
BrF3 Bromine trifluoride rFBr 1.810 ±0.000 1.869 0.059 1 3
GeF+ Germanium monofluoride cation rFGe 1.665 ±0.000 1.724 0.059 1 2
AsF Arsenic monofluoride rFAs 1.736 ±0.001 1.796 0.060 1 2
GeF Germanium monofluoride rFGe 1.745   1.805 0.060 1 2
Cl2+ chlorine diatomic cation rClCl 1.892   1.952 0.060 1 2
PF5 Phosphorus pentafluoride rFP 1.577   1.637 0.060 1 5
SiBr+ Silicon monobromide cation rSiBr 2.095 ±0.000 2.157 0.061 1 2
FNO2 Nitryl fluoride rNF 1.467 ±0.015 1.529 0.062 1 2
SO Sulfur monoxide rS=O 1.481   1.543 0.062 1 2
AlNC Aluminum isocyanide rAlN 1.855 ±0.005 1.918 0.063 1 2
SiCl Clorosilylidyne rSiCl 2.061 ±0.000 2.125 0.063 1 2
SSO Disulfur monoxide rS=S 1.884   1.948 0.063 2 3
BrF5 bromine pentafluoride rFBr 1.774 ±0.003 1.838 0.064 1 3
AlF Aluminum monofluoride rAlF 1.654 ±0.000 1.718 0.064 1 2
CFCl chlorofluoromethylene rCCl 1.714   1.778 0.064 1 3
F2SO Thionyl Fluoride rO=S 1.413 ±0.000 1.477 0.065 1 2
GaBr Gallium monobromide rGaBr 2.352 ±0.000 2.418 0.065 1 2
SF Monosulfur monofluoride rSF 1.599   1.665 0.065 1 2
AsF3 Arsenic trifluoride rAsF 1.706 ±0.002 1.773 0.067 1 2
HSiCl Chlorosilylene rSiCl 2.067 ±0.003 2.134 0.067 1 2
SSO Disulfur monoxide rS=O 1.456   1.524 0.068 1 2
GaAs Gallium arsenide rGa#As 2.530 ±0.020 2.599 0.069 1 2
Li2 Lithium diatomic rLiLi 2.673   2.742 0.069 1 2
C4H8O2 Ethyl acetate rCO 1.448   1.517 0.069 5 6
OPCl Phosphorus oxychloride rPCl 2.059 ±0.004 2.132 0.073 1 3
HClO4 perchloric acid rO=Cl 1.414 ±0.001 1.488 0.074 1 2
PF5 Phosphorus pentafluoride rPF 1.534   1.608 0.074 1 2
SiH3F monofluorosilane rSiF 1.595   1.669 0.075 1 2
C2H6O2S Dimethyl sulfone rS=O 1.431 ±0.004 1.506 0.075 1 2
BrF3 Bromine trifluoride rFBr 1.721   1.796 0.075 1 2
AsF5 Arsenic pentafluoride rAsF 1.656 ±0.004 1.734 0.078 1 2
AlBr Aluminum monobromide rAlBr 2.295   2.373 0.078 1 2
SF4 Sulfur tetrafluoride rSF 1.646 ±0.003 1.726 0.080 1 2
SiF silicon monofluoride rSiF 1.604   1.684 0.080 1 2
AlCl Aluminum monochloride rAlCl 2.130 ±0.000 2.210 0.080 1 2
SOF4 Sulfur tetrafluoride oxide rFS 1.596 ±0.003 1.676 0.080 1 3
PF2 Phosphorus difluoride rPF 1.579   1.660 0.081 1 2
SiF2 Silicon difluoride rFSi 1.590 ±0.000 1.673 0.082 1 2
SF4 Sulfur tetrafluoride rSF 1.545 ±0.003 1.635 0.090 1 4
BrF5 bromine pentafluoride rFBr 1.689 ±0.008 1.782 0.093 1 2
He2+ helium diatomic cation rHeHe 1.081 ±0.001 1.174 0.093 1 2
HClO4 perchloric acid rO=Cl 1.404 ±0.001 1.499 0.095 1 4
ClOF3 Chlorine trifluoride oxide rFCl 1.713 ±0.003 1.809 0.096 1 4
SOF4 Sulfur tetrafluoride oxide rFS 1.539 ±0.003 1.636 0.097 1 5
F2SO Thionyl Fluoride rFS 1.585 ±0.000 1.688 0.103 1 3
ClOF3 Chlorine trifluoride oxide rFCl 1.603 ±0.004 1.735 0.132 1 3
HClO4 perchloric acid rOCl 1.641 ±0.002 1.778 0.137 1 3
Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- rAlCl 2.040 ±0.040 2.319 0.279 1 3
C4H10O Methyl propyl ether rCH 1.099   1.420 0.321 1 2
325 molecules.