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Average Bond Length Differences by Model Chemistry

Calculated at CCSD=FULL/6-31G*

Species Name Bond type Bond Length (Å)
Experimental unc. Calculated Difference atom1 atom2
C4H10O Methyl propyl ether rCC 1.530   1.097 -0.433 5 13
C4H6 Methylenecyclopropane rCC 1.457   1.414 -0.043 2 5
FNO2 Nitryl fluoride rNF 1.467 ±0.015 1.428 -0.039 1 2
CH3ONO Methyl nitrite rNO 1.398   1.362 -0.036 2 6
C5H8O Methyl cyclopropyl ketone rCH 1.126   1.093 -0.033 3 7
NaF sodium fluoride rNaF 1.926 ±0.000 1.895 -0.031 1 2
C2H2O2 Ethanedial rCH 1.132   1.106 -0.026 1 3
CH2O2 Dioxirane rOO 1.516 ±0.003 1.493 -0.022 4 5
HeH+ Helium hydride cation rHHe 0.790   0.769 -0.021 1 2
C5H6 Propellane rCC 1.596 ±0.005 1.577 -0.019 2 5
C9H8 Indene rCC 1.415 ±0.170 1.398 -0.017 1 2
CH3CH2CH2CH3 Butane rCH 1.117   1.100 -0.017 1 5
C4H6 Bicyclo[1.1.0]butane rCC 1.497   1.480 -0.017 1 2
H2Cl+ dihydrogen monochloride cation rHCl 1.321 ±0.000 1.305 -0.015 1 2
CH3OC2H5 Ethane, methoxy- rCO 1.415 ±0.005 1.401 -0.014 1 2
N(CH3)3 Trimethylamine rCH 1.109   1.096 -0.013 2 8
CH3COCl Acetyl Chloride rCH 1.105   1.092 -0.013 2 5
HNO3 Nitric acid rNO 1.406   1.394 -0.012 1 2
C5H6 Propellane rCC 1.525 ±0.002 1.513 -0.012 1 2
ArH+ Argon hydride cation rArH 1.292 ±0.000 1.281 -0.011 1 2
C10H8 Azulene rC:C 1.414   1.403 -0.011 7 9
C3F6 hexafluoropropene rCF 1.329 ±0.003 1.319 -0.010 1 4
C3H6O Propylene oxide rCC 1.513   1.503 -0.010 2 6
C2H5F fluoroethane rCF 1.398 ±0.007 1.388 -0.010 1 3
CH3CH2CHO Propanal rCH 1.103   1.094 -0.009 1 6
LiOH lithium hydroxide rOH 0.969   0.960 -0.009 1 3
C5H8 Ethenylcyclopropane rCH 1.099   1.090 -0.009 1 6
HS+ sulfur monohydride cation rSH 1.374   1.366 -0.009 1 2
C2H2O2 Ethanedial rCC 1.526   1.518 -0.008 1 2
CH3ONO Methyl nitrite rCH 1.102   1.094 -0.008 1 4
B2H6 Diborane rBH 1.320   1.313 -0.007 1 3
CH2FCl fluorochloromethane rCF 1.370 ±0.001 1.363 -0.007 1 2
B2H6 Diborane rBH 1.200   1.193 -0.007 1 5
CH2NH Methanimine rCH 1.103   1.097 -0.006 1 3
CH3CH2CHO Propanal rCH 1.115   1.109 -0.006 3 10
CH3COCl Acetyl Chloride rCC 1.506   1.501 -0.005 1 2
CH3NH2 methyl amine rCN 1.471 ±0.003 1.467 -0.004 1 2
C2H3Cl Ethene, chloro- rCH 1.090   1.086 -0.004 1 4
CSe2 Carbon diselenide rC=Se 1.692 ±0.000 1.688 -0.004 1 2
GaAs Gallium arsenide rGa#As 2.530 ±0.020 2.526 -0.004 1 2
F2O Difluorine monoxide rFO 1.405   1.401 -0.004 1 2
HCCl Chloromethylene rCH 1.119 ±0.036 1.115 -0.004 1 3
CH3CH2CHO Propanal rCH 1.105   1.101 -0.004 2 8
CH2O2 Dioxirane rCO 1.388 ±0.004 1.384 -0.004 1 4
CH3CHO Acetaldehyde rCH 1.114   1.110 -0.004 1 4
CH2CHCH2CH3 1-Butene rCC 1.536   1.532 -0.004 1 2
GaF Gallium monofluoride rFGa 1.774 ±0.000 1.771 -0.003 1 2
CH3OCH3 Dimethyl ether rCO 1.411 ±0.001 1.408 -0.003 1 2
CH2 Methylene rCH 1.085   1.082 -0.003 1 2
CH3CH2OH Ethanol rCH 1.098   1.095 -0.003 1 6
CH3OCHO methyl formate rCO 1.437   1.434 -0.003 1 2
As4 Arsenic tetramer rAsAs 2.435   2.433 -0.002 1 2
H2CSe Selenoformaldehyde rC=Se 1.753   1.751 -0.002 1 2
CH3CH2CH2CH3 Butane rCC 1.531   1.529 -0.002 1 2
C3H6O 2-Propen-1-ol rCH 1.091 ±0.010 1.089 -0.002 3 9
SCSe Carbon sulfide selenide rC=Se 1.695 ±0.002 1.693 -0.002 1 3
C3H6O 2-Propen-1-ol rCH 1.092 ±0.010 1.090 -0.002 2 7
CH2PH Phosphaethene rCH 1.090 ±0.015 1.088 -0.002 1 3
C10H8 Azulene rC:C 1.405 ±0.001 1.403 -0.001 2 9
H2CSe Selenoformaldehyde rHC 1.090   1.089 -0.001 1 3
CH3CH2CHO Propanal rCC 1.509   1.508 -0.001 2 3
CH3CH(CH3)CH3 Isobutane rCH 1.100   1.099 -0.001 3 6
CH2PH Phosphaethene rCH 1.090 ±0.015 1.089 -0.001 1 4
C2H Ethynyl radical rC#C 1.217   1.216 -0.001 1 2
CH3NHCH3 Dimethylamine rCH 1.098   1.097 -0.001 3 7
C10H8 Azulene rC:C 1.398   1.397 -0.001 1 3
HCl+ hydrogen chloride cation rHCl 1.315   1.314 0.000 1 2
CH2CO Ketene rCH 1.083   1.082 0.000 1 4
CHF3 Methane, trifluoro- rCH 1.091 ±0.014 1.091 0.000 1 2
CH3CCH propyne rCH 1.096   1.096 0.000 1 5
CH3NC methyl isocyanide rCH 1.094   1.094 0.000 1 4
CH3NO nitrosomethane rCH 1.094   1.094 0.000 1 4
C3H3NO Oxazole rCO 1.357 ±0.003 1.357 0.000 1 2
CH3CH2CHO Propanal rCH 1.096   1.096 0.000 1 5
SCSe Carbon sulfide selenide rC=S 1.553 ±0.002 1.553 0.000 1 2
ClOF3 Chlorine trifluoride oxide rFCl 1.713 ±0.003 1.713 0.000 1 4
C3F6 hexafluoropropene rC=C 1.329 ±0.003 1.329 0.000 1 2
CH3ONO Methyl nitrite rCH 1.090   1.090 0.000 1 3
CH3OCHO methyl formate rCH 1.101   1.101 0.000 3 8
CH2C(CH3)CH3 1-Propene, 2-methyl- rCH 1.088   1.088 0.000 2 3
CH3CHS Thioacetaldehyde rCH 1.098   1.099 0.001 2 6
CH3NC methyl isocyanide rCN 1.426 ±0.003 1.427 0.001 1 2
NH4+ ammonium cation rHN 1.029 ±0.000 1.030 0.001 1 2
LiF lithium fluoride rLiF 1.564 ±0.000 1.565 0.001 1 2
CSe Carbon monoselenide rC=Se 1.676 ±0.000 1.677 0.001 1 2
CH2CCHCH3 1,2-Butadiene rC=C 1.314   1.315 0.001 1 2
C3H6O 2-Propen-1-ol rCH 1.102 ±0.020 1.103 0.001 1 6
C4H6 Cyclobutene rCC 1.517   1.518 0.001 1 3
CH3NH2 methyl amine rNH 1.018 ±0.001 1.020 0.002 2 6
BeO beryllium oxide rBe=O 1.331   1.333 0.002 1 2
C5H8O Methyl cyclopropyl ketone rCC 1.510   1.512 0.002 2 3
SiH2Cl2 dichlorosilane rSiH 1.480 ±0.015 1.482 0.002 1 2
CH3ONO Methyl nitrite rCO 1.437   1.439 0.002 1 2
CH3CHFCH3 2-Fluoropropane rCH 1.093 ±0.006 1.095 0.002 4 8
CH3CHFCH3 2-Fluoropropane rCH 1.094 ±0.005 1.096 0.002 4 10
CH2FCl fluorochloromethane rCH 1.090 ±0.010 1.092 0.002 1 4
C3H3NO Oxazole rCO 1.370 ±0.002 1.372 0.002 1 5
NH3BF3 Amminetrifluoroboron rBN 1.673   1.675 0.002 1 2
OCSe Carbonyl selenide rC=Se 1.709   1.711 0.002 1 3
CH3OC2H5 Ethane, methoxy- rCH 1.092 ±0.007 1.094 0.002 4 11
C2H2ClF 1-chloro-1-fluoroethylene rCH 1.082 ±0.001 1.084 0.002 2 5
OCSe Carbonyl selenide rC=O 1.159   1.161 0.002 1 2
C2H2+ acetylene cation rC=C 1.253 ±0.001 1.255 0.002 1 2
CH2O2 Dioxirane rCH 1.090 ±0.002 1.093 0.003 1 2
BN boron nitride rB=N 1.325   1.328 0.003 1 2
CBr4 Carbon tetrabromide rCBr 1.942 ±0.002 1.945 0.003 1 2
CH3CHS Thioacetaldehyde rCH 1.090   1.093 0.003 2 5
C3H8 Propane rCH 1.096   1.099 0.003 1 4
CH3CHClCH3 Propane, 2-chloro- rCH 1.091   1.094 0.003 2 5
CH3COCl Acetyl Chloride rC=O 1.187   1.190 0.003 1 3
HOCl hypochlorous acid rOH 0.973 ±0.002 0.977 0.003 1 2
SiC silicon monocarbide rCSi 1.722   1.725 0.003 1 2
CH2Cl2 Methylene chloride rCH 1.085 ±0.002 1.088 0.003 1 2
C4H6 Cyclobutene rCH 1.094   1.097 0.003 3 7
C2H5F fluoroethane rCH 1.095 ±0.007 1.098 0.003 1 4
C4H8 cyclobutane rCH 1.093   1.097 0.004 1 5
NH2SH Thiohydroxylamine rSH 1.344 ±0.029 1.348 0.004 2 3
CH3NO nitrosomethane rCH 1.092   1.096 0.004 1 5
CS carbon monosulfide rC#S 1.535   1.538 0.004 1 2
CH3OC2H5 Ethane, methoxy- rCH 1.100 ±0.003 1.104 0.004 3 8
CH3OCHO methyl formate rCO 1.334   1.338 0.004 2 3
C3H6 Cyclopropane rCC 1.501   1.505 0.004 1 2
CH3OC2H5 Ethane, methoxy- rCH 1.099 ±0.007 1.103 0.004 1 6
CH3CH2CHO Propanal rCC 1.523   1.527 0.004 1 2
ClCN chlorocyanogen rC#N 1.161   1.165 0.004 2 3
CH2CHF Ethene, fluoro- rCH 1.082   1.086 0.004 1 4
C3H6 Cyclopropane rCH 1.083   1.087 0.004 1 4
CH3OCH3 Dimethyl ether rCH 1.099 ±0.001 1.103 0.004 2 6
HSiCl Chlorosilylene rSiH 1.525 ±0.005 1.529 0.004 1 3
H2 Hydrogen diatomic rHH 0.741   0.746 0.004 1 2
CH3OCHO methyl formate rCH 1.086   1.091 0.005 1 5
C2H5F fluoroethane rCC 1.505 ±0.007 1.510 0.005 1 2
C4H8 cyclobutane rCH 1.091   1.096 0.005 1 6
C4H6 Cyclobutene rCH 1.083   1.088 0.005 1 5
B2 Boron diatomic rBB 1.590   1.595 0.005 1 2
CH3CH(CH3)CH3 Isobutane rCH 1.092   1.097 0.005 3 9
OH Hydroxyl radical rOH 0.970   0.975 0.005 1 2
C2H5F fluoroethane rCH 1.090 ±0.007 1.095 0.005 2 7
C2H2 Acetylene rCH 1.063   1.069 0.006 1 3
C2H5F fluoroethane rCH 1.091 ±0.007 1.097 0.006 2 6
CH2Cl2 Methylene chloride rCCl 1.767 ±0.002 1.773 0.006 1 4
C3H4 cyclopropene rCH 1.088   1.094 0.006 1 6
C3H6O 2-Propen-1-ol rCH 1.096 ±0.030 1.102 0.006 1 5
CH3CHS Thioacetaldehyde rCH 1.089   1.095 0.006 1 4
BH3 boron trihydride rBH 1.190   1.196 0.006 1 2
CH3CHClCH3 Propane, 2-chloro- rCH 1.092   1.098 0.006 3 6
AlBr Aluminum monobromide rAlBr 2.295   2.301 0.006 1 2
C10H8 Azulene rCH 1.084   1.090 0.006 4 14
CH3CSNH2 Ethanethioamide rC=S 1.647 ±0.002 1.653 0.006 1 2
H2CS Thioformaldehyde rC=S 1.611   1.617 0.006 1 2
C3H3NO Oxazole rCH 1.075 ±0.001 1.081 0.006 2 6
C3H3NO Oxazole rCH 1.073 ±0.001 1.079 0.006 5 8
C10H8 Azulene rCH 1.080   1.086 0.006 9 17
CH4 Methane rCH 1.087 ±0.001 1.093 0.006 1 2
C5H8 Ethenylcyclopropane rCC 1.475   1.481 0.006 1 2
C3H3NO Oxazole rCH 1.075 ±0.001 1.082 0.006 4 7
CH3CH2Cl Ethyl chloride rCH 1.086   1.093 0.006 2 7
CH3CHFCH3 2-Fluoropropane rCH 1.092   1.099 0.007 1 3
C2H6O2S Dimethyl sulfone rCS 1.777 ±0.006 1.784 0.007 1 4
CH3Br methyl bromide rCH 1.082 ±0.001 1.089 0.007 1 3
C2H2+ acetylene cation rCH 1.077 ±0.005 1.084 0.007 1 3
CH3CHO Acetaldehyde rCH 1.086   1.093 0.007 2 5
N3 azide radical rNN 1.181   1.188 0.007 1 2
CCl2O Phosgene rC=O 1.177   1.184 0.007 1 2
CH3CH2Cl Ethyl chloride rCH 1.090   1.097 0.007 1 3
SiP Silicon monophosphide rSiP 2.078 ±0.002 2.085 0.007 1 2
SOCl2 thionyl chloride rS=O 1.443 ±0.006 1.450 0.007 1 2
C2H3Cl Ethene, chloro- rCH 1.079   1.087 0.008 2 5
HCCCN Cyanoacetylene rCH 1.062 ±0.001 1.070 0.008 4 5
SiS silicon monosulfide rSiS 1.929 ±0.000 1.937 0.008 1 2
AlCl Aluminum monochloride rAlCl 2.130 ±0.000 2.138 0.008 1 2
HNCNH diiminomethane rC=N 1.224 ±0.001 1.232 0.008 1 2
C2H2 Acetylene rC#C 1.203   1.210 0.008 1 2
CN Cyano radical rC#N 1.172   1.180 0.008 1 2
BO boron monoxide rB=O 1.205   1.212 0.008 1 2
AlC Aluminum carbide rC=Al 1.955   1.963 0.008 1 2
C3H4 cyclopropene rCH 1.072   1.080 0.008 2 4
CH3OC2H5 Ethane, methoxy- rCH 1.086 ±0.010 1.094 0.008 1 5
CH2CHF Ethene, fluoro- rCH 1.077   1.085 0.008 2 5
CH3CCH propyne rCH 1.060   1.068 0.008 3 4
CH3CHFCH3 2-Fluoropropane rCH 1.088 ±0.006 1.096 0.008 4 6
GeS Germanium monosulfide rS=Ge 2.012 ±0.000 2.021 0.008 1 2
CH3CH2OH Ethanol rCH 1.088   1.097 0.009 1 5
CH3NHCH3 Dimethylamine rCH 1.098   1.107 0.009 3 5
CH3OCH3 Dimethyl ether rCH 1.085 ±0.001 1.094 0.009 2 4
C3H6O 2-Propen-1-ol rCH 1.078 ±0.010 1.087 0.009 3 8
C2H3 vinyl rCH 1.085   1.094 0.009 2 4
CH3OC2H5 Ethane, methoxy- rCH 1.089 ±0.008 1.098 0.009 4 10
CH2F2 Methane, difluoro- rCH 1.084 ±0.003 1.093 0.009 1 2
C10H8 Azulene rCH 1.081   1.091 0.010 1 11
C10H8 Azulene rCH 1.083   1.092 0.010 5 15
BH Boron monohydride rBH 1.232   1.242 0.010 1 2
PN Phosphorus mononitride rP#N 1.491   1.501 0.010 1 2
C2 Carbon diatomic rC=C 1.243   1.252 0.010 1 2
SiH3F monofluorosilane rSiH 1.476   1.486 0.010 1 3
SiH4 Silane rSiH 1.480 ±0.000 1.490 0.010 1 2
SiH3Cl chlorosilane rSiH 1.475   1.485 0.010 1 3
CH3NH2 methyl amine rCH 1.093 ±0.000 1.103 0.010 1 3
SiHCl3 Trichlorosilane rSiH 1.464   1.474 0.010 1 2
C10H8 naphthalene rC:C 1.410   1.420 0.010 2 3
BeH2 beryllium dihydride rBeH 1.326 ±0.000 1.337 0.011 1 2
GaBr Gallium monobromide rGaBr 2.352 ±0.000 2.363 0.011 1 2
CH Methylidyne rCH 1.120   1.131 0.011 1 2
HCl Hydrogen chloride rHCl 1.275 ±0.000 1.285 0.011 1 2
AsF Arsenic monofluoride rFAs 1.736 ±0.001 1.747 0.011 1 2
CH2F2 Methane, difluoro- rCF 1.351 ±0.001 1.362 0.011 1 4
H2O Water rOH 0.958 ±0.000 0.969 0.011 1 2
CH2CHCH2CH3 1-Butene rCC 1.493   1.504 0.011 2 3
BF3 Borane, trifluoro- rBF 1.307   1.319 0.012 1 2
CH3NC methyl isocyanide rC#N 1.166 ±0.003 1.178 0.012 2 3
CN- cyanide anion rC#N 1.177 ±0.004 1.189 0.012 1 2
CO+ carbon monoxide cation rC=O 1.115 ±0.000 1.127 0.012 1 2
O2 Oxygen diatomic rO=O 1.208   1.219 0.012 1 2
CH3COCl Acetyl Chloride rCCl 1.798   1.810 0.012 1 4
CH3NHCH3 Dimethylamine rCH 1.084   1.096 0.012 3 9
CHF3 Methane, trifluoro- rCF 1.328 ±0.003 1.340 0.012 1 3
PO Phosphorus monoxide rP=O 1.476   1.488 0.012 1 2
SF4 Sulfur tetrafluoride rSF 1.646 ±0.003 1.658 0.012 1 2
CH2CO Ketene rC=O 1.162   1.174 0.012 2 3
LiOH lithium hydroxide rLiO 1.582   1.594 0.012 1 2
NSe Nitrogen monoselenide rN=Se 1.652   1.664 0.012 1 2
SiH+ silicon monohydride cation rSiH 1.504   1.516 0.012 1 2
FNO2 Nitryl fluoride rN=O 1.180 ±0.005 1.192 0.012 1 3
SeO2 Selenium dioxide rSeO 1.607 ±0.001 1.619 0.012 1 2
GeF Germanium monofluoride rFGe 1.745   1.757 0.012 1 2
NO Nitric oxide rN=O 1.154 ±0.000 1.166 0.012 1 2
HO2 Hydroperoxy radical rOH 0.971   0.983 0.012 1 3
HCCl Chloromethylene rCCl 1.696 ±0.003 1.709 0.012 1 2
CH3OC2H5 Ethane, methoxy- rCO 1.407 ±0.004 1.419 0.012 2 3
CH3ONO Methyl nitrite rN=O 1.182   1.195 0.013 6 7
SiBr+ Silicon monobromide cation rSiBr 2.095 ±0.000 2.108 0.013 1 2
CO Carbon monoxide rC#O 1.128 ±0.000 1.141 0.013 1 2
HO2 Hydroperoxy radical rOO 1.331   1.343 0.013 1 2
HOBr Hypobromous acid rOH 0.961   0.974 0.013 1 2
SiH3Cl chlorosilane rSiCl 2.051   2.064 0.013 1 2
HS Mercapto radical rSH 1.341   1.354 0.013 1 2
P2 Phosphorus diatomic rP#P 1.893   1.907 0.013 1 2
F2 Fluorine diatomic rFF 1.412   1.425 0.013 1 2
CCl2O Phosgene rCCl 1.737   1.750 0.013 2 3
DS Mercapto-d rSD 1.341   1.354 0.013 1 2
SiH3+ Silyl cation rSiH 1.460 ±0.010 1.473 0.013 1 2
LiNH2 lithium amide rLiN 1.736 ±0.003 1.750 0.014 1 2
C10H8 Azulene rC:C 1.484   1.498 0.014 7 8
SiO Silicon monoxide rSiO 1.510 ±0.000 1.524 0.014 1 2
PF5 Phosphorus pentafluoride rFP 1.577   1.591 0.014 1 5
BeH beryllium monohydride rBeH 1.343   1.357 0.014 1 2
BF Boron monofluoride rBF 1.267 ±0.000 1.281 0.014 1 2
C10H8 Azulene rC:C 1.377   1.391 0.014 5 7
NO+ nitric oxide cation rN=O 1.066   1.080 0.014 1 2
AlF Aluminum monofluoride rAlF 1.654 ±0.000 1.669 0.014 1 2
CF Fluoromethylidyne rCF 1.276   1.291 0.015 1 2
NH2CONH2 Urea rNH 0.998   1.013 0.015 4 8
OPCl Phosphorus oxychloride rPCl 2.059 ±0.004 2.074 0.015 1 3
N2 Nitrogen diatomic rN#N 1.098   1.113 0.015 1 2
PH phosphorus monohydride rPH 1.422   1.438 0.015 1 2
ScH Scandium monohydride rScH 1.775 ±0.000 1.791 0.015 1 2
GeH3F monofluorogermane rGeF 1.731 ±0.000 1.746 0.015 1 2
CH2FCl fluorochloromethane rCCl 1.762 ±0.000 1.778 0.016 1 3
O2+ diatomic oxygen cation rOO 1.116   1.132 0.016 1 2
SiCl Clorosilylidyne rSiCl 2.061 ±0.000 2.078 0.016 1 2
ClCN chlorocyanogen rCCl 1.629   1.645 0.016 1 2
AlNC Aluminum isocyanide rAlN 1.855 ±0.005 1.871 0.016 1 2
C3H7N Cyclopropylamine rCH 1.080   1.096 0.016 1 2
SiH2Cl2 dichlorosilane rSiCl 2.033 ±0.003 2.049 0.016 1 4
SiH2F2 difluorosilane rSiH 1.462   1.478 0.016 1 4
OPCl Phosphorus oxychloride rP=O 1.462 ±0.011 1.479 0.017 1 2
HF+ hydrogen fluoride cation rHF 1.014   1.031 0.017 1 2
CH3CH2OH Ethanol rCH 1.086   1.103 0.017 2 8
Se2 Selenium diatomic rSe=Se 2.166 ±0.001 2.183 0.017 1 2
CH2Br2 dibromomethane rCBr 1.925 ±0.002 1.942 0.017 1 4
HF Hydrogen fluoride rHF 0.917 ±0.000 0.934 0.017 1 2
FO Oxygen monofluoride rFO 1.354   1.372 0.018 1 2
SiH Silylidyne rSiH 1.520   1.538 0.018 1 2
ClF Chlorine monofluoride rFCl 1.628 ±0.000 1.646 0.018 1 2
HS- mercapto anion rSH 1.343   1.361 0.018 1 2
NS Mononitrogen monosulfide rNS 1.497 ±0.000 1.515 0.018 1 2
HSiCl Chlorosilylene rSiCl 2.067 ±0.003 2.086 0.019 1 2
LiBr Lithium Bromide rLiBr 2.170 ±0.000 2.189 0.019 1 2
SOF4 Sulfur tetrafluoride oxide rFS 1.596 ±0.003 1.615 0.019 1 3
CHBr3 bromoform rCBr 1.924 ±0.005 1.943 0.019 1 3
SeO Selenium monoxide rSeO 1.639 ±0.001 1.659 0.019 1 2
SSO Disulfur monoxide rS=S 1.884   1.905 0.020 2 3
N(CH3)3 Trimethylamine rCH 1.088   1.108 0.020 2 5
SiHCl3 Trichlorosilane rSiCl 2.020   2.041 0.021 1 3
CH3Br methyl bromide rCBr 1.934 ±0.000 1.956 0.022 1 2
SiF silicon monofluoride rSiF 1.604   1.626 0.022 1 2
OH- hydroxide anion rOH 0.964   0.986 0.022 1 2
SiH3F monofluorosilane rSiF 1.595   1.616 0.022 1 2
TiCl Titanium Monochloride rClTi 2.265 ±0.000 2.286 0.022 1 2
SCl2 Sulfur dichloride rSCl 2.013 ±0.001 2.035 0.022 1 2
PS phosphorus sulfide rP=S 1.900   1.922 0.022 1 2
HSe Selenium monohydride rSeH 1.475 ±0.010 1.497 0.022 1 2
C3H5 Allyl radical rCH 1.069   1.091 0.022 1 2
C2H Ethynyl radical rCH 1.047   1.069 0.022 1 3
HOCl hypochlorous acid rClO 1.697 ±0.001 1.720 0.022 1 3
CH3SeH Methane selenol rSeH 1.473 ±0.020 1.496 0.023 1 3
SeCl2 Selenium Dichloride rClSe 2.157 ±0.003 2.180 0.023 1 2
GeO Germanium monoxide rOGe 1.625   1.648 0.023 1 2
C3O2 Carbon suboxide rC=O 1.146   1.169 0.023 2 4
NO- nitric oxide anion rN=O 1.258 ±0.010 1.281 0.023 1 2
SiF2 Silicon difluoride rFSi 1.590 ±0.000 1.614 0.023 1 2
SO+ sulfur monoxide cation rO=S 1.424   1.448 0.024 1 2
S2 Sulfur diatomic rS=S 1.889   1.913 0.024 1 2
C5H8O Cyclopentanone rCC 1.504   1.528 0.024 2 3
LiO lithium oxide rLiO 1.688   1.713 0.025 1 2
GeF+ Germanium monofluoride cation rFGe 1.665 ±0.000 1.690 0.025 1 2
HBr+ hydrogen bromide cation rHBr 1.448   1.474 0.026 1 2
SSO Disulfur monoxide rS=O 1.456   1.482 0.026 1 2
C3O2 Carbon suboxide rC=C 1.251   1.277 0.026 1 2
AsH Arsenic monohydride rAsH 1.535 ±0.001 1.561 0.026 1 2
AsF3 Arsenic trifluoride rAsF 1.706 ±0.002 1.732 0.026 1 2
BrF Bromine monofluoride rFBr 1.759 ±0.000 1.785 0.026 1 2
HOBr Hypobromous acid rBrO 1.834   1.861 0.027 2 3
F2SO Thionyl Fluoride rFS 1.585 ±0.000 1.612 0.027 1 3
PF2 Phosphorus difluoride rPF 1.579   1.606 0.027 1 2
PF5 Phosphorus pentafluoride rPF 1.534   1.561 0.027 1 2
F2SO Thionyl Fluoride rO=S 1.413 ±0.000 1.440 0.027 1 2
GeCl Germanium monochloride rClGe 2.164 ±0.000 2.192 0.028 1 2
C3H4O Cyclopropanone rCC 1.575   1.603 0.028 3 4
ClO Monochlorine monoxide rClO 1.596 ±0.001 1.625 0.029 1 2
SF Monosulfur monofluoride rSF 1.599   1.629 0.030 1 2
SO Sulfur monoxide rS=O 1.481   1.511 0.030 1 2
Cl2+ chlorine diatomic cation rClCl 1.892   1.924 0.032 1 2
NaCl Sodium Chloride rNaCl 2.361 ±0.000 2.394 0.033 1 2
C2H6O2S Dimethyl sulfone rS=O 1.431 ±0.004 1.464 0.033 1 2
H2Se Hydrogen selenide rSeH 1.460   1.493 0.033 1 2
HBr hydrogen bromide rHBr 1.414 ±0.000 1.449 0.034 1 2
SF4 Sulfur tetrafluoride rSF 1.545 ±0.003 1.580 0.035 1 4
CFCl chlorofluoromethylene rCCl 1.714   1.749 0.035 1 3
GeH3F monofluorogermane rGeH 1.515 ±0.000 1.550 0.036 1 3
AsH3 Arsine rAsH 1.511 ±0.000 1.548 0.037 1 2
SCl sulfur monochloride rSCl 1.975   2.013 0.038 1 2
SOF4 Sulfur tetrafluoride oxide rFS 1.539 ±0.003 1.577 0.038 1 5
KrH+ Protonated Krypton rHKr 1.421 ±0.000 1.460 0.038 1 2
GeH germylidene rGeH 1.588   1.627 0.039 1 2
Cl2 Chlorine diatomic rClCl 1.988   2.028 0.040 1 2
MgH magnesium monohydride rMgH 1.730   1.770 0.040 1 2
ClOF3 Chlorine trifluoride oxide rFCl 1.603 ±0.004 1.644 0.041 1 3
Br2 Bromine diatomic rBrBr 2.281   2.322 0.041 1 2
BrCl Bromine monochloride rClBr 2.136 ±0.000 2.178 0.042 1 2
LiCl lithium chloride rLiCl 2.021 ±0.000 2.064 0.043 1 2
NCl nitrogen monochloride rNCl 1.611 ±0.000 1.656 0.045 1 2
NaH sodium hydride rNaH 1.887 ±0.000 1.937 0.051 1 2
Li2 Lithium diatomic rLiLi 2.673   2.725 0.052 1 2
LiH Lithium Hydride rLiH 1.595 ±0.000 1.648 0.053 1 2
NaLi lithium sodium rLiNa 2.889   2.945 0.056 1 2
BrO Bromine monoxide rOBr 1.718   1.774 0.056 1 2
He2+ helium diatomic cation rHeHe 1.081 ±0.001 1.163 0.082 1 2
KH Potassium hydride rKH 2.243 ±0.001 2.348 0.105 1 2
CaC Calcium monocarbide rC#Ca 2.302   2.414 0.112 1 2
CaBr Calcium monobromide rCaBr 2.594 ±0.000 2.709 0.116 1 2
CrH Chromium hydride rHCr 1.655 ±0.001 1.804 0.149 1 2
CaH Calcium monohydride rCaH 2.003 ±0.000 2.152 0.149 1 2
Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- rAlCl 2.040 ±0.040 2.266 0.226 1 3
CaO Calcium monoxide rOCa 1.822   2.105 0.283 1 2
C4H10O Methyl propyl ether rCH 1.099   1.413 0.314 1 2
356 molecules.