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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 LSDA/6-31G(2df,p)

Species Name Bond type Bond Length (Å)
Experimental unc. Calculated Difference atom1 atom2
C4H10O Methyl propyl ether rCC 1.530   1.104 -0.426 5 13
Na2 Sodium diatomic rNaNa 3.079   2.899 -0.180 1 2
CuCl Copper monochloride rCuCl 2.051 ±0.000 1.902 -0.149 1 2
CuO Copper Monoxide rCuO 1.724 ±0.000 1.593 -0.132 1 2
CuF Copper monofluoride rCuF 1.745 ±0.000 1.619 -0.126 1 2
GaAs Gallium arsenide rGa#As 2.530 ±0.020 2.435 -0.095 1 2
KF Potassium Fluoride rKF 2.171 ±0.000 2.085 -0.086 1 2
As4 Arsenic tetramer rAsAs 2.435   2.358 -0.077 1 2
TiCl Titanium Monochloride rClTi 2.265 ±0.000 2.188 -0.077 1 2
CuH Copper monohydride rCuH 1.463   1.394 -0.069 1 2
C5H10 2-Pentene, (E)- rCC 1.576   1.508 -0.068 11 15
KBr Potassium Bromide rKBr 2.821 ±0.000 2.759 -0.061 1 2
NaF sodium fluoride rNaF 1.926 ±0.000 1.869 -0.057 1 2
NaLi lithium sodium rLiNa 2.889   2.834 -0.055 1 2
C5H6 Bicyclo[2.1.0]pent-2-ene rCC 1.560   1.506 -0.054 3 5
NaBr Sodium Bromide rNaBr 2.502 ±0.000 2.449 -0.054 1 2
C4H5N Cyclopropanecarbonitrile rCC 1.472   1.419 -0.053 6 8
CBr4 Carbon tetrabromide rCBr 1.942 ±0.002 1.897 -0.045 1 2
KCl Potassium Chloride rKCl 2.667 ±0.000 2.622 -0.045 1 2
C5H10 2-Pentene, (Z)- rCC 1.561   1.517 -0.044 1 5
As2 Arsenic diatomic rAs#As 2.103   2.058 -0.044 1 2
ScH Scandium monohydride rScH 1.775 ±0.000 1.734 -0.042 1 2
Se2 Selenium diatomic rSe=Se 2.166 ±0.001 2.125 -0.041 1 2
F2 Fluorine diatomic rFF 1.412   1.373 -0.039 1 2
NaCl Sodium Chloride rNaCl 2.361 ±0.000 2.322 -0.039 1 2
C4H5NO 3-Methylisoxazole rCC 1.514   1.474 -0.039 1 8
AsF5 Arsenic pentafluoride rAsF 1.711 ±0.005 1.673 -0.038 1 5
C4H5NO Isoxazole, 5-methyl- rCC 1.505   1.467 -0.038 1 5
HOBr Hypobromous acid rBrO 1.834   1.796 -0.038 2 3
C5H6 Propellane rCC 1.596 ±0.005 1.558 -0.038 2 5
NH2F monofluoroamine rNF 1.433   1.396 -0.037 1 2
CH2FCl fluorochloromethane rCF 1.370 ±0.001 1.333 -0.037 1 2
CH3Br methyl bromide rCBr 1.934 ±0.000 1.898 -0.036 1 2
C6H6 Fulvene rCH 1.130 ±0.030 1.095 -0.035 2 7
C2Cl2 dichloroacetylene rC#C 1.246 ±0.030 1.211 -0.035 1 2
C6H12 (E)-3-methylpent-2-ene rCC 1.551   1.517 -0.034 9 12
LiBr Lithium Bromide rLiBr 2.170 ±0.000 2.137 -0.033 1 2
CH2Br2 dibromomethane rCBr 1.925 ±0.002 1.892 -0.033 1 4
CH3NC methyl isocyanide rCN 1.426 ±0.003 1.393 -0.033 1 2
ClO Monochlorine monoxide rClO 1.596 ±0.001 1.564 -0.032 1 2
C3F6 hexafluoropropene rCF 1.329 ±0.003 1.297 -0.032 1 4
BrO Bromine monoxide rOBr 1.718   1.687 -0.031 1 2
FO Oxygen monofluoride rFO 1.354   1.323 -0.031 1 2
C5H5N Bicyclo[1.1.0]butane-1-carbonitrile rCC 1.514   1.484 -0.030 3 9
C5H12O Butane, 1-methoxy- rCO 1.415   1.386 -0.029 3 4
CH3OC2H5 Ethane, methoxy- rCO 1.415 ±0.005 1.386 -0.029 1 2
Br2 Bromine diatomic rBrBr 2.281   2.252 -0.029 1 2
C4H5N Cyclopropanecarbonitrile rCC 1.513   1.484 -0.029 9 10
BrF Bromine monofluoride rFBr 1.759 ±0.000 1.731 -0.028 1 2
FNO2 Nitryl fluoride rNF 1.467 ±0.015 1.439 -0.028 1 2
OCSe Carbonyl selenide rC=Se 1.709   1.681 -0.028 1 3
C5H8O Methyl cyclopropyl ketone rCH 1.126   1.098 -0.028 3 7
MgO magnesium oxide rMgO 1.749   1.722 -0.027 1 2
BrF3 Bromine trifluoride rFBr 1.810 ±0.000 1.783 -0.027 1 3
GeCl Germanium monochloride rClGe 2.164 ±0.000 2.137 -0.027 1 2
C4H5N (E)-2-Butenenitrile rCC 1.432   1.406 -0.026 8 10
AsF Arsenic monofluoride rFAs 1.736 ±0.001 1.710 -0.026 1 2
CH2CHCH2CH2Cl 1-Butene, 4-chloro- rCC 1.508   1.482 -0.026 2 6
CH3ONO Methyl nitrite rCO 1.437   1.411 -0.026 1 2
C9H8 Indene rCC 1.415 ±0.170 1.390 -0.025 1 2
C5H6 Bicyclo[2.1.0]pent-2-ene rCC 1.530   1.505 -0.025 1 3
C3H4O Cyclopropanone rCC 1.575   1.551 -0.024 3 4
BrF5 bromine pentafluoride rFBr 1.774 ±0.003 1.751 -0.023 1 3
F2O Difluorine monoxide rFO 1.405   1.382 -0.023 1 2
C4H6 Bicyclo[1.1.0]butane rCC 1.497   1.474 -0.023 1 2
AlN Aluminum nitride rN#Al 1.786   1.765 -0.022 1 2
CSe2 Carbon diselenide rC=Se 1.692 ±0.000 1.671 -0.021 1 2
HO2 Hydroperoxy radical rOO 1.331   1.309 -0.021 1 2
C5H5N Bicyclo[1.1.0]butane-1-carbonitrile rCC 1.518   1.497 -0.021 3 7
NF nitrogen fluoride rNF 1.317   1.296 -0.021 1 2
C5H8 Cyclobutane, methylene- rCC 1.524   1.504 -0.020 1 3
CH3CH2CH2CH3 Butane rCC 1.531   1.511 -0.020 1 2
C5H8 Ethenylcyclopropane rCC 1.475   1.455 -0.020 1 2
N2O3 Dinitrogen trioxide rN=O 1.217   1.197 -0.020 2 5
CH2CHCH2CH3 1-Butene rCC 1.536   1.516 -0.020 1 2
C5H6 Propellane rCC 1.525 ±0.002 1.506 -0.019 1 2
C5H10 Cyclopropane, 1,1-dimethyl- rCC 1.514   1.495 -0.019 1 4
BrCl Bromine monochloride rClBr 2.136 ±0.000 2.117 -0.019 1 2
C4H8O2 Ethyl acetate rCC 1.508   1.489 -0.019 1 2
NaH sodium hydride rNaH 1.887 ±0.000 1.868 -0.019 1 2
C2H2O2 Ethanedial rCC 1.526   1.507 -0.019 1 2
C4H8O2 Ethyl acetate rCC 1.515   1.497 -0.018 5 6
C10H8 Azulene rC:C 1.414   1.396 -0.018 7 9
MgS magnesium sulfide rMgS 2.143   2.125 -0.018 1 2
C8H8 cyclooctatetraene rCC 1.470 ±0.001 1.453 -0.018 1 5
CF3COOH trifluoroacetic acid rCC 1.546 ±0.005 1.529 -0.017 1 2
C5H8O Methyl cyclopropyl ketone rCC 1.510   1.493 -0.017 2 3
C4H6 Cyclobutene rCC 1.517   1.500 -0.017 1 3
C6H6 Fulvene rCC 1.476 ±0.008 1.460 -0.016 5 6
C6H8 (Z)-hexa-1,3,5-triene rC=C 1.368   1.352 -0.016 1 2
HOCl hypochlorous acid rClO 1.697 ±0.001 1.681 -0.016 1 3
CrH Chromium hydride rHCr 1.655 ±0.001 1.639 -0.016 1 2
C4H6O Cyclobutanone rCC 1.556   1.541 -0.015 3 5
CH3OC2H5 Ethane, methoxy- rCO 1.407 ±0.004 1.392 -0.015 2 3
AsF3 Arsenic trifluoride rAsF 1.706 ±0.002 1.691 -0.015 1 2
CH3SCH2CH3 Ethane, (methylthio)- rCS 1.804   1.789 -0.015 8 9
ClCN chlorocyanogen rCCl 1.629   1.615 -0.014 1 2
GaF Gallium monofluoride rFGa 1.774 ±0.000 1.760 -0.014 1 2
C4H10O Propane, 2-methoxy- rCO 1.422   1.408 -0.014 5 14
CH2CCHCH3 1,2-Butadiene rC=C 1.314   1.300 -0.014 1 2
C6H6 Fulvene rCC 1.470 ±0.004 1.456 -0.014 1 3
C3H3NO Oxazole rCO 1.370 ±0.002 1.356 -0.013 1 5
NH3BF3 Amminetrifluoroboron rBN 1.673   1.660 -0.013 1 2
PCl5 Phosphorus pentachloride rPCl 2.124   2.111 -0.013 1 5
HNO3 Nitric acid rNO 1.406   1.394 -0.012 1 2
NSe Nitrogen monoselenide rN=Se 1.652   1.640 -0.012 1 2
CF Fluoromethylidyne rCF 1.276   1.264 -0.012 1 2
CH3ONO Methyl nitrite rNO 1.398   1.386 -0.012 2 6
CH2CHCH2CH3 1-Butene rCC 1.493   1.482 -0.011 2 3
AlC Aluminum carbide rC=Al 1.955   1.944 -0.011 1 2
LiOH lithium hydroxide rOH 0.969   0.958 -0.011 1 3
C3H3NO Oxazole rCO 1.357 ±0.003 1.347 -0.011 1 2
SiN Silicon nitride rSiN 1.575   1.565 -0.010 1 2
C3H8O2 1,3-Propanediol rOH 0.980   0.970 -0.010 6 8
C10H8 Azulene rC:C 1.398   1.388 -0.010 1 3
PF5 Phosphorus pentafluoride rFP 1.577   1.567 -0.010 1 5
LiOH lithium hydroxide rLiO 1.582   1.572 -0.010 1 2
C5H10 2-Pentene, (Z)- rCC 1.490   1.480 -0.010 8 14
CH3CH2CH2CH3 Butane rCH 1.117   1.107 -0.010 1 5
LiF lithium fluoride rLiF 1.564 ±0.000 1.554 -0.009 1 2
BF Boron monofluoride rBF 1.267 ±0.000 1.257 -0.009 1 2
C6H6 Fulvene rC=C 1.349 ±0.002 1.340 -0.009 1 2
C2H6O2S Dimethyl sulfone rCS 1.777 ±0.006 1.769 -0.008 1 4
C2H2O2 Ethanedial rCH 1.132   1.124 -0.008 1 3
C4H8O2 Ethyl acetate rCH 1.105   1.097 -0.008 1 7
HCCl Chloromethylene rCCl 1.696 ±0.003 1.688 -0.008 1 2
SiC silicon monocarbide rCSi 1.722   1.714 -0.008 1 2
C10H8 Azulene rC:C 1.405 ±0.001 1.397 -0.008 2 9
NCl nitrogen monochloride rNCl 1.611 ±0.000 1.604 -0.007 1 2
ClOF3 Chlorine trifluoride oxide rFCl 1.713 ±0.003 1.706 -0.007 1 4
GeS Germanium monosulfide rS=Ge 2.012 ±0.000 2.005 -0.007 1 2
ClF Chlorine monofluoride rFCl 1.628 ±0.000 1.622 -0.006 1 2
H2CS Thioformaldehyde rC=S 1.611   1.605 -0.006 1 2
C5H7N Cyclobutanecarbonitrile rCC 1.551   1.545 -0.006 3 6
SF Monosulfur monofluoride rSF 1.599   1.593 -0.006 1 2
C4H8O2 1,3-Dioxane rCO 1.393   1.387 -0.006 1 2
BeF Beryllium monofluoride rBeF 1.361   1.355 -0.006 1 2
CH3SCH2CH3 Ethane, (methylthio)- rCS 1.804   1.798 -0.006 5 8
HSSSH trisulfane rSS 2.054 ±0.000 2.048 -0.006 1 2
C6H8 (Z)-hexa-1,3,5-triene rCH 1.104   1.098 -0.006 1 7
SF4 Sulfur tetrafluoride rSF 1.646 ±0.003 1.641 -0.005 1 2
C4H8O2 Ethyl acetate rCO 1.345   1.340 -0.005 2 3
CaF Calcium monofluoride rFCa 1.967 ±0.001 1.962 -0.005 1 2
BrF3 Bromine trifluoride rFBr 1.721   1.716 -0.005 1 2
C4H6O Cyclobutanone rCC 1.527   1.522 -0.005 2 3
SeO Selenium monoxide rSeO 1.639 ±0.001 1.635 -0.005 1 2
BF3 Borane, trifluoro- rBF 1.307   1.302 -0.005 1 2
LiCl lithium chloride rLiCl 2.021 ±0.000 2.016 -0.004 1 2
B2H6 Diborane rBH 1.320   1.316 -0.004 1 3
SCl sulfur monochloride rSCl 1.975   1.971 -0.004 1 2
AlO Aluminum monoxide rAlO 1.618   1.614 -0.004 1 2
C6H6 Fulvene rC=C 1.355 ±0.004 1.351 -0.004 3 5
KH Potassium hydride rKH 2.243 ±0.001 2.238 -0.004 1 2
N2O3 Dinitrogen trioxide rN=O 1.202   1.198 -0.004 2 4
SeO2 Selenium dioxide rSeO 1.607 ±0.001 1.603 -0.004 1 2
Cl2 Chlorine diatomic rClCl 1.988   1.984 -0.004 1 2
HSe Selenium monohydride rSeH 1.475 ±0.010 1.471 -0.004 1 2
AlF Aluminum monofluoride rAlF 1.654 ±0.000 1.651 -0.004 1 2
C5H8 Ethenylcyclopropane rCH 1.099   1.096 -0.003 1 6
SiH3F monofluorosilane rSiF 1.595   1.591 -0.003 1 2
C4H6 Methylenecyclopropane rCC 1.457   1.454 -0.003 2 5
SiF silicon monofluoride rSiF 1.604   1.601 -0.003 1 2
HNCNH diiminomethane rC=N 1.224 ±0.001 1.221 -0.003 1 2
SOF4 Sulfur tetrafluoride oxide rFS 1.596 ±0.003 1.593 -0.003 1 3
CP Carbon monophosphide rC#P 1.562   1.560 -0.002 1 2
BeO beryllium oxide rBe=O 1.331   1.328 -0.002 1 2
C10H8 Azulene rC:C 1.484   1.482 -0.002 7 8
AsH Arsenic monohydride rAsH 1.535 ±0.001 1.533 -0.002 1 2
SiH3Cl chlorosilane rSiCl 2.051   2.049 -0.002 1 2
LiO lithium oxide rLiO 1.688   1.687 -0.002 1 2
O2 Oxygen diatomic rO=O 1.208   1.206 -0.002 1 2
B2H6 Diborane rBH 1.200   1.199 -0.001 1 5
NS+ nitrogen sulfide cation rNS 1.440   1.439 -0.001 1 2
N3 azide radical rNN 1.181   1.181 -0.001 1 2
NO Nitric oxide rN=O 1.154 ±0.000 1.153 0.000 1 2
C6H10 1-Butyne, 3,3-dimethyl- rC#C 1.209 ±0.001 1.209 0.000 1 6
C5H10 2-Pentene, (E)- rCC 1.484   1.484 0.000 4 11
SCl2 Sulfur dichloride rSCl 2.013 ±0.001 2.013 0.000 1 2
AlS Aluminum sulfide rAlS 2.029   2.029 0.000 1 2
GeH germylidene rGeH 1.588   1.588 0.000 1 2
O2+ diatomic oxygen cation rOO 1.116   1.117 0.000 1 2
C8H8 cyclooctatetraene rC=C 1.337 ±0.001 1.338 0.001 1 2
PN Phosphorus mononitride rP#N 1.491   1.492 0.001 1 2
FNO2 Nitryl fluoride rN=O 1.180 ±0.005 1.181 0.001 1 3
C2H2+ acetylene cation rC=C 1.253 ±0.001 1.254 0.001 1 2
CCl carbon monochloride rCCl 1.649   1.651 0.001 1 2
GeF+ Germanium monofluoride cation rFGe 1.665 ±0.000 1.667 0.002 1 2
OCSe Carbonyl selenide rC=O 1.159   1.160 0.002 1 2
HBr hydrogen bromide rHBr 1.414 ±0.000 1.416 0.002 1 2
C6H8 (Z)-hexa-1,3,5-triene rC=C 1.337   1.339 0.002 3 5
BeCl beryllium monochloride rBeCl 1.797   1.799 0.002 1 2
CN Cyano radical rC#N 1.172   1.174 0.002 1 2
SiF4 Silicon tetrafluoride rSiF 1.554   1.556 0.002 1 2
CH3ONO Methyl nitrite rCH 1.102   1.104 0.002 1 4
BO boron monoxide rB=O 1.205   1.207 0.002 1 2
P2 Phosphorus diatomic rP#P 1.893   1.896 0.002 1 2
HClO4 perchloric acid rOH 0.980   0.982 0.002 3 6
SOCl2 thionyl chloride rS=O 1.443 ±0.006 1.446 0.003 1 2
C3F6 hexafluoropropene rC=C 1.329 ±0.003 1.332 0.003 1 2
N2O3 Dinitrogen trioxide rN=O 1.142   1.145 0.003 1 3
SiF2 Silicon difluoride rFSi 1.590 ±0.000 1.593 0.003 1 2
BeS beryllium sulfide rBe=S 1.742   1.745 0.003 1 2
HClO4 perchloric acid rO=Cl 1.414 ±0.001 1.417 0.003 1 2
SiP Silicon monophosphide rSiP 2.078 ±0.002 2.081 0.003 1 2
BN boron nitride rB=N 1.325   1.329 0.004 1 2
HClO4 perchloric acid rOCl 1.641 ±0.002 1.645 0.004 1 3
NO+ nitric oxide cation rN=O 1.066   1.070 0.004 1 2
HOCl hypochlorous acid rOH 0.973 ±0.002 0.977 0.004 1 2
CH2CO Ketene rC=O 1.162   1.166 0.004 2 3
C10H8 Azulene rC:C 1.377   1.381 0.004 5 7
CH2PH Phosphaethene rCH 1.090 ±0.015 1.094 0.004 1 3
CN- cyanide anion rC#N 1.177 ±0.004 1.181 0.004 1 2
C4H8O2 Ethyl acetate rC=O 1.203   1.207 0.004 2 4
SiH2Cl2 dichlorosilane rSiCl 2.033 ±0.003 2.037 0.004 1 4
CH3ONO Methyl nitrite rN=O 1.182   1.186 0.004 6 7
AlCl Aluminum monochloride rAlCl 2.130 ±0.000 2.135 0.005 1 2
F2SO Thionyl Fluoride rFS 1.585 ±0.000 1.590 0.005 1 3
C2Cl2 dichloroacetylene rCCl 1.612 ±0.030 1.617 0.005 1 3
CH2 Methylene rCH 1.085   1.090 0.005 1 2
H2Cl+ dihydrogen monochloride cation rHCl 1.321 ±0.000 1.326 0.005 1 2
SiO Silicon monoxide rSiO 1.510 ±0.000 1.515 0.005 1 2
C3H6O 2-Propen-1-ol rCH 1.091 ±0.010 1.096 0.005 3 9
NO- nitric oxide anion rN=O 1.258 ±0.010 1.263 0.005 1 2
CH2NH Methanimine rCH 1.103   1.108 0.005 1 3
GeO Germanium monoxide rOGe 1.625   1.630 0.005 1 2
PS phosphorus sulfide rP=S 1.900   1.906 0.006 1 2
CO+ carbon monoxide cation rC=O 1.115 ±0.000 1.121 0.006 1 2
KrH+ Protonated Krypton rHKr 1.421 ±0.000 1.427 0.006 1 2
CH3NO3 Methyl nitrate rNO 1.402   1.408 0.006 1 4
S2+ sulfur diatomic cation rS=S 1.825 ±0.010 1.831 0.006 1 2
NH4+ ammonium cation rHN 1.029 ±0.000 1.035 0.006 1 2
C3H6O 2-Propen-1-ol rCH 1.092 ±0.010 1.098 0.006 2 7
CF3COOH trifluoroacetic acid rC=O 1.192 ±0.003 1.198 0.006 2 4
CO Carbon monoxide rC#O 1.128 ±0.000 1.134 0.006 1 2
ClCN chlorocyanogen rC#N 1.161   1.167 0.006 2 3
CH2PH Phosphaethene rCH 1.090 ±0.015 1.096 0.006 1 4
BS boron sulfide rBS 1.609   1.615 0.006 1 2
N2 Nitrogen diatomic rN#N 1.098   1.104 0.006 1 2
CCl2 dichloromethylene rCCl 1.711   1.718 0.007 1 2
SiH2Cl2 dichlorosilane rSiH 1.480 ±0.015 1.487 0.007 1 2
SiHCl3 Trichlorosilane rSiCl 2.020   2.027 0.007 1 3
CS carbon monosulfide rC#S 1.535   1.542 0.007 1 2
CH2CO Ketene rCH 1.083   1.089 0.007 1 4
CH3ONO Methyl nitrite rCH 1.090   1.097 0.007 1 3
COBr2 Carbonic dibromide rC=O 1.172 ±0.003 1.179 0.008 1 2
AsF5 Arsenic pentafluoride rAsF 1.656 ±0.004 1.664 0.008 1 2
CH3CCH propyne rCH 1.096   1.104 0.008 1 5
PCl5 Phosphorus pentachloride rPCl 2.020   2.028 0.008 1 2
CH3CHFCH3 2-Fluoropropane rCH 1.093 ±0.006 1.101 0.008 4 8
CH3NO3 Methyl nitrate rCH 1.095   1.103 0.008 5 8
H2Se Hydrogen selenide rSeH 1.460   1.468 0.008 1 2
PF5 Phosphorus pentafluoride rPF 1.534   1.542 0.008 1 2
CH3SCH2CH3 Ethane, (methylthio)- rCH 1.097   1.105 0.008 5 6
Cl2+ chlorine diatomic cation rClCl 1.892   1.900 0.009 1 2
CH3NC methyl isocyanide rCH 1.094   1.103 0.009 1 4
DF Hydrofluoric acid-d rDF 0.917 ±0.000 0.926 0.009 1 2
CH3NO nitrosomethane rCH 1.094   1.103 0.009 1 4
CH3CHS Thioacetaldehyde rCH 1.098   1.107 0.009 2 6
BrF5 bromine pentafluoride rFBr 1.689 ±0.008 1.698 0.009 1 2
C2H2ClF 1-chloro-1-fluoroethylene rCH 1.082 ±0.001 1.091 0.009 2 5
SiS silicon monosulfide rSiS 1.929 ±0.000 1.938 0.009 1 2
CH3CHFCH3 2-Fluoropropane rCH 1.094 ±0.005 1.103 0.009 4 10
SO+ sulfur monoxide cation rO=S 1.424   1.433 0.009 1 2
BCl boron monochloride rBCl 1.719 ±0.000 1.729 0.009 1 2
HF Hydrogen fluoride rHF 0.917 ±0.000 0.926 0.009 1 2
CH3OC2H5 Ethane, methoxy- rCH 1.092 ±0.007 1.102 0.010 4 11
C3H8 Propane rCH 1.096   1.106 0.010 1 4
CH3CHS Thioacetaldehyde rCH 1.090   1.100 0.010 2 5
PO Phosphorus monoxide rP=O 1.476   1.486 0.010 1 2
C4H6 Cyclobutene rCH 1.094   1.104 0.010 3 7
SSO Disulfur monoxide rS=O 1.456   1.466 0.010 1 2
HBr+ hydrogen bromide cation rHBr 1.448   1.458 0.010 1 2
C4H6 Cyclobutene rCH 1.083   1.093 0.010 1 5
CH3NC methyl isocyanide rC#N 1.166 ±0.003 1.176 0.010 2 3
CH2FCl fluorochloromethane rCCl 1.762 ±0.000 1.772 0.010 1 3
C2 Carbon diatomic rC=C 1.243   1.253 0.010 1 2
CH3SCH2CH3 Ethane, (methylthio)- rCH 1.092   1.102 0.010 1 3
HCCl Chloromethylene rCH 1.119 ±0.036 1.129 0.011 1 3
ArH+ Argon hydride cation rArH 1.292 ±0.000 1.303 0.011 1 2
C4H6S Thiophene, 2,5-dihydro- rCH 1.095   1.106 0.011 2 6
C10H8 Azulene rCH 1.080   1.091 0.011 9 17
H2O Water rOH 0.958 ±0.000 0.969 0.011 1 2
HCCCN Cyanoacetylene rCH 1.062 ±0.001 1.074 0.011 4 5
C3H4O Methylketene rCH 1.083   1.094 0.011 2 5
CH3CCH propyne rCH 1.060   1.071 0.011 3 4
C6H8 1,4-Cyclohexadiene rCH 1.100   1.111 0.011 1 11
C6H6 Fulvene rCH 1.080 ±0.005 1.092 0.012 5 11
C5H8O Cyclopentanone rCC 1.504   1.516 0.012 2 3
C5H10 2-Pentene, (Z)- rCH 1.092   1.104 0.012 1 2
C10H8 Azulene rCH 1.084   1.096 0.012 4 14
CH3OC2H5 Ethane, methoxy- rCH 1.089 ±0.008 1.101 0.012 4 10
C6H6 Fulvene rCH 1.078 ±0.005 1.090 0.012 3 9
CH3CHClCH3 Propane, 2-chloro- rCH 1.092   1.104 0.012 3 6
CH3NO3 Methyl nitrate rCH 1.088   1.100 0.012 5 6
CH3CHClCH3 Propane, 2-chloro- rCH 1.091   1.103 0.012 2 5
BH3 boron trihydride rBH 1.190   1.202 0.012 1 2
AsH3 Arsine rAsH 1.511 ±0.000 1.523 0.012 1 2
PO- phosphorus monoxide anion rOP 1.540   1.552 0.012 1 2
C2H6O2S Dimethyl sulfone rS=O 1.431 ±0.004 1.444 0.013 1 2
MgOH magnesium hydroxide rMgO 1.767   1.780 0.013 1 2
C3H3NO Oxazole rCH 1.073 ±0.001 1.086 0.013 5 8
CH3SCH2CH3 Ethane, (methylthio)- rCH 1.090   1.103 0.013 9 11
C3H3NO Oxazole rCH 1.075 ±0.001 1.088 0.013 4 7
CH3NO nitrosomethane rCH 1.092   1.105 0.013 1 5
CHONH2 formamide rNH 1.001   1.014 0.013 3 6
HS- mercapto anion rSH 1.343   1.356 0.013 1 2
CH3CHO Acetaldehyde rCH 1.086   1.099 0.013 2 5
C3H6O 2-Propen-1-ol rCH 1.102 ±0.020 1.115 0.013 1 6
SiH4 Silane rSiH 1.480 ±0.000 1.493 0.014 1 2
C3H3NO Oxazole rCH 1.075 ±0.001 1.089 0.014 2 6
HS+ sulfur monohydride cation rSH 1.374   1.388 0.014 1 2
C5H10 Cyclopropane, 1,1-dimethyl- rCH 1.080   1.094 0.014 2 6
CH3SCH2CH3 Ethane, (methylthio)- rCH 1.089   1.103 0.014 9 10
S2 Sulfur diatomic rS=S 1.889   1.903 0.014 1 2
CH3CHFCH3 2-Fluoropropane rCH 1.088 ±0.006 1.102 0.014 4 6
CH2FCl fluorochloromethane rCH 1.090 ±0.010 1.104 0.014 1 4
HeH+ Helium hydride cation rHHe 0.790   0.804 0.014 1 2
BeH2 beryllium dihydride rBeH 1.326 ±0.000 1.341 0.014 1 2
CH3CHO Acetaldehyde rCH 1.114   1.128 0.014 1 4
CH3OC2H5 Ethane, methoxy- rCH 1.099 ±0.007 1.114 0.015 1 6
PF+ phosphorus monofluoride cation rFP 1.500   1.515 0.015 1 2
HO2 Hydroperoxy radical rOH 0.971   0.985 0.015 1 3
HOBr Hypobromous acid rOH 0.961   0.976 0.015 1 2
CH3SCH2CH3 Ethane, (methylthio)- rCH 1.087   1.102 0.015 1 2
SO Sulfur monoxide rS=O 1.481   1.496 0.015 1 2
P2H4 Diphosphine rPH 1.417   1.432 0.015 1 3
NS Mononitrogen monosulfide rNS 1.497 ±0.000 1.512 0.015 1 2
OH Hydroxyl radical rOH 0.970   0.985 0.015 1 2
SOF4 Sulfur tetrafluoride oxide rFS 1.539 ±0.003 1.554 0.015 1 5
C3H6O 2-Propen-1-ol rCH 1.078 ±0.010 1.093 0.015 3 8
CH3Br methyl bromide rCH 1.082 ±0.001 1.097 0.015 1 3
CH3OC2H5 Ethane, methoxy- rCH 1.086 ±0.010 1.102 0.016 1 5
C6H10 1-Butyne, 3,3-dimethyl- rCH 1.056 ±0.001 1.072 0.016 6 7
C4H10O Propane, 2-methoxy- rCH 1.095   1.111 0.016 1 2
SSO Disulfur monoxide rS=S 1.884   1.900 0.016 2 3
CHONH2 formamide rNH 1.001   1.017 0.016 3 5
C10H8 Azulene rCH 1.081   1.097 0.016 1 11
SiH3Cl chlorosilane rSiH 1.475   1.491 0.016 1 3
HS Mercapto radical rSH 1.341   1.357 0.016 1 2
CH3CH2O Ethoxy radical rCH 1.086   1.102 0.016 1 4
C2H2+ acetylene cation rCH 1.077 ±0.005 1.093 0.016 1 3
CH3OC2H5 Ethane, methoxy- rCH 1.100 ±0.003 1.116 0.016 3 8
C10H8 Azulene rCH 1.083   1.099 0.016 5 15
OH- hydroxide anion rOH 0.964   0.981 0.017 1 2
DCl Hydrochloric acid-d rDCl 1.275 ±0.000 1.291 0.017 1 2
HCl Hydrogen chloride rHCl 1.275 ±0.000 1.291 0.017 1 2
CH3CHS Thioacetaldehyde rCH 1.089   1.106 0.017 1 4
SiHCl3 Trichlorosilane rSiH 1.464   1.481 0.017 1 2
CH3CH2O Ethoxy radical rCH 1.085   1.102 0.017 1 5
SF4 Sulfur tetrafluoride rSF 1.545 ±0.003 1.562 0.017 1 4
BeH beryllium monohydride rBeH 1.343   1.360 0.017 1 2
P2H4 Diphosphine rPH 1.414   1.431 0.017 1 4
C3H4O Methylketene rCH 1.083   1.100 0.017 3 6
SiH3F monofluorosilane rSiH 1.476   1.494 0.018 1 3
ClFO3 Perchloryl fluoride rCl=O 1.400   1.418 0.018 2 3
MgH+ magnesium monohydride cation rMgH 1.652   1.670 0.018 1 2
C3H6O 2-Propen-1-ol rCH 1.096 ±0.030 1.114 0.018 1 5
NH2CONH2 Urea rNH 0.998   1.016 0.019 4 8
F2SO Thionyl Fluoride rO=S 1.413 ±0.000 1.432 0.019 1 2
CH3CHFCH3 2-Fluoropropane rCH 1.092   1.111 0.019 1 3
C3O2 Carbon suboxide rC=O 1.146   1.166 0.020 2 4
B2 Boron diatomic rBB 1.590   1.610 0.020 1 2
MgH magnesium monohydride rMgH 1.730   1.750 0.020 1 2
C8H8 cyclooctatetraene rCH 1.079 ±0.001 1.100 0.020 1 9
C2H3 vinyl rCH 1.085   1.105 0.020 2 4
NH Imidogen rNH 1.036   1.057 0.021 1 2
D2 Deuterium diatomic rDD 0.742   0.763 0.022 1 2
H2 Hydrogen diatomic rHH 0.741   0.763 0.022 1 2
HD Deuterium hydride rDH 0.741   0.763 0.022 1 2
MgOH magnesium hydroxide rOH 0.940   0.962 0.022 1 3
C3O2 Carbon suboxide rC=C 1.251   1.273 0.022 1 2
HClO4 perchloric acid rO=Cl 1.404 ±0.001 1.427 0.023 1 4
C3H7N Cyclopropylamine rCH 1.080   1.103 0.023 1 2
HCl+ hydrogen chloride cation rHCl 1.315   1.338 0.024 1 2
ClFO3 Perchloryl fluoride rFCl 1.598   1.624 0.026 1 2
SiH Silylidyne rSiH 1.520   1.546 0.026 1 2
SiH3+ Silyl cation rSiH 1.460 ±0.010 1.487 0.027 1 2
ClOF3 Chlorine trifluoride oxide rFCl 1.603 ±0.004 1.630 0.027 1 3
LiH Lithium Hydride rLiH 1.595 ±0.000 1.624 0.029 1 2
C3H5 Allyl radical rCH 1.069   1.098 0.029 1 2
AlH aluminum monohydride rAlH 1.648   1.678 0.030 1 2
CaCl calcium monochloride rClCa 2.437   2.470 0.033 1 2
BH Boron monohydride rBH 1.232   1.266 0.034 1 2
SiH+ silicon monohydride cation rSiH 1.504   1.539 0.035 1 2
C5H10 2-Pentene, (Z)- rCH 1.058   1.100 0.042 12 13
Li2 Lithium diatomic rLiLi 2.673   2.717 0.044 1 2
CFCl chlorofluoromethylene rCCl 1.714   1.759 0.045 1 3
CH3CH2O Ethoxy radical rCH 1.088   1.134 0.046 2 7
C4H8O2 Ethyl acetate rCO 1.448   1.497 0.049 5 6
CaH Calcium monohydride rCaH 2.003 ±0.000 2.079 0.077 1 2
He2+ helium diatomic cation rHeHe 1.081 ±0.001 1.161 0.080 1 2
CaO Calcium monoxide rOCa 1.822   1.932 0.110 1 2
Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- rAlCl 2.040 ±0.040 2.248 0.208 1 3
C4H10O Methyl propyl ether rCH 1.099   1.386 0.287 1 2
394 molecules.