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Average Bond Length Differences by Model Chemistry

Calculated at HF/LANL2DZ

Species Name Bond type Bond Length (Å)
Experimental unc. Calculated Difference atom1 atom2
C4H10O Methyl propyl ether rCC 1.530   1.086 -0.444 5 13
HeH+ Helium hydride cation rHHe 0.790   0.587 -0.203 1 2
FNO2 Nitryl fluoride rNF 1.467 ±0.015 1.407 -0.060 1 2
C2Cl2 dichloroacetylene rC#C 1.246 ±0.030 1.187 -0.059 1 2
LiO lithium oxide rLiO 1.688   1.630 -0.058 1 2
C6H6 Fulvene rCH 1.130 ±0.030 1.074 -0.056 2 7
C2H2O2 Ethanedial rCH 1.132   1.083 -0.049 1 3
C5H8O Methyl cyclopropyl ketone rCH 1.126   1.079 -0.047 3 7
ScH Scandium monohydride rScH 1.775 ±0.000 1.729 -0.047 1 2
C5H10 2-Pentene, (E)- rCC 1.576   1.535 -0.041 11 15
CH2ClCH2Cl Ethane, 1,2-dichloro- rCH 1.112   1.073 -0.039 1 5
NH3BF3 Amminetrifluoroboron rBN 1.673   1.636 -0.037 1 2
CH3ONO Methyl nitrite rNO 1.398   1.363 -0.035 2 6
C7H16 heptane rCH 1.121 ±0.007 1.088 -0.033 1 8
CH3OCl methyl hypochlorite rCH 1.111 ±0.018 1.079 -0.032 3 4
HNO3 Nitric acid rNO 1.406   1.375 -0.031 1 2
CH3NO3 Methyl nitrate rNO 1.402   1.372 -0.030 1 4
CH3CH2CH2CH3 Butane rCH 1.117   1.087 -0.030 1 5
C5H6 Bicyclo[2.1.0]pent-2-ene rCC 1.560   1.531 -0.029 3 5
Si(CH3)4 tetramethylsilane rCH 1.115 ±7.000 1.086 -0.029 2 6
C6H8 (Z)-hexa-1,3,5-triene rCH 1.104   1.076 -0.028 1 7
C3H8O2 1,3-Propanediol rOH 0.980   0.952 -0.028 6 8
C4H8O2 Ethyl acetate rCH 1.105   1.078 -0.027 1 7
CH3CH2CHO Propanal rCH 1.115   1.089 -0.026 3 10
CH3CHO Acetaldehyde rCH 1.114   1.088 -0.026 1 4
N(CH3)3 Trimethylamine rCH 1.109   1.083 -0.026 2 8
CH3COCl Acetyl Chloride rCH 1.105   1.079 -0.026 2 5
LiOH lithium hydroxide rOH 0.969   0.943 -0.026 1 3
C5H8 Ethenylcyclopropane rCH 1.099   1.073 -0.026 1 6
C4H5N Cyclopropanecarbonitrile rCC 1.472   1.447 -0.025 6 8
CH3OCHO methyl formate rCH 1.101   1.077 -0.024 3 8
C6H8 (Z)-hexa-1,3,5-triene rC=C 1.368   1.344 -0.024 1 2
SiH2Cl2 dichlorosilane rSiH 1.480 ±0.015 1.456 -0.024 1 2
CH3ONO Methyl nitrite rCH 1.102   1.079 -0.023 1 4
C2H3Cl Ethene, chloro- rCH 1.090   1.068 -0.022 1 4
C8H8 cubane rCH 1.097   1.075 -0.022 1 9
CH3NH2 methyl amine rNH 1.018 ±0.001 0.997 -0.021 2 6
CH2NH Methanimine rCH 1.103   1.082 -0.021 1 3
C6H5OCH3 Anisole rCO 1.399   1.378 -0.021 1 7
CH3CH2CHO Propanal rCH 1.103   1.083 -0.020 1 6
CHF3 Methane, trifluoro- rCH 1.091 ±0.014 1.071 -0.020 1 2
GaF Gallium monofluoride rFGa 1.774 ±0.000 1.754 -0.020 1 2
CH2O2 Dioxirane rCH 1.090 ±0.002 1.071 -0.020 1 2
C5H8 Bicyclo[2.1.0]pentane rCC 1.536   1.517 -0.019 1 5
CH3NO3 Methyl nitrate rCH 1.095   1.076 -0.019 5 8
CH2FCl fluorochloromethane rCH 1.090 ±0.010 1.071 -0.019 1 4
HCCl Chloromethylene rCH 1.119 ±0.036 1.100 -0.019 1 3
C2H2O2 Ethanedial rCC 1.526   1.508 -0.018 1 2
C5H10 2-Pentene, (Z)- rCC 1.561   1.543 -0.018 1 5
C4H4N2 1,3-Diazine rCH 1.087   1.069 -0.018 1 7
C9H8 Indene rCC 1.415 ±0.170 1.397 -0.018 1 2
C3H4N2 1H-Pyrazole rCH 1.083   1.065 -0.018 5 6
CH3CH2CHO Propanal rCH 1.105   1.087 -0.018 2 8
B2H6 Diborane rBH 1.200   1.183 -0.017 1 5
C3H6O 2-Propen-1-ol rCH 1.092 ±0.010 1.075 -0.017 2 7
HSiCl Chlorosilylene rSiH 1.525 ±0.005 1.508 -0.017 1 3
C3H4N2 1H-Pyrazole rCH 1.082   1.065 -0.017 1 2
NH4+ ammonium cation rHN 1.029 ±0.000 1.012 -0.017 1 2
C4H5NO 3-Methylisoxazole rCC 1.514   1.497 -0.016 1 8
CH3SCH2CH3 Ethane, (methylthio)- rCH 1.097   1.081 -0.016 5 6
CH2PH Phosphaethene rCH 1.090 ±0.015 1.074 -0.016 1 3
CH2ClCH2Cl Ethane, 1,2-dichloro- rCC 1.531   1.515 -0.016 1 2
CH2Cl2 Methylene chloride rCH 1.085 ±0.002 1.069 -0.016 1 2
CH2PH Phosphaethene rCH 1.090 ±0.015 1.074 -0.016 1 4
C2H5F fluoroethane rCH 1.095 ±0.007 1.079 -0.016 1 4
H2CSe Selenoformaldehyde rHC 1.090   1.075 -0.016 1 3
C4H6S Thiophene, 2,5-dihydro- rCH 1.095   1.079 -0.016 2 6
C3H6O 2-Propen-1-ol rCH 1.091 ±0.010 1.076 -0.015 3 9
C3H6O 2-Propen-1-ol rCH 1.102 ±0.020 1.087 -0.015 1 6
C3H3NO Oxazole rCH 1.075 ±0.001 1.060 -0.015 2 6
CH3CH2OH Ethanol rCH 1.098   1.083 -0.015 1 6
C3H4N2 1H-Pyrazole rCH 1.080   1.065 -0.015 3 4
CH3ONO Methyl nitrite rCH 1.090   1.075 -0.015 1 3
C4H5NO Isoxazole, 5-methyl- rCC 1.505   1.490 -0.015 1 5
CH3CHClCH3 Propane, 2-chloro- rCH 1.091   1.076 -0.015 2 5
CH2C(CH3)OCH3 1-Propene, 2-methoxy- rCH 1.087   1.072 -0.015 11 12
C3F6 hexafluoropropene rC=C 1.329 ±0.003 1.314 -0.015 1 2
C4H4N2 1,3-Diazine rCH 1.082   1.067 -0.015 2 8
C3H3NO Oxazole rCH 1.075 ±0.001 1.061 -0.014 4 7
CF3COOH trifluoroacetic acid rCC 1.546 ±0.005 1.532 -0.014 1 2
HClO4 perchloric acid rOH 0.980   0.966 -0.014 3 6
CH3NHCH3 Dimethylamine rCH 1.098   1.084 -0.014 3 7
C3H3NO Oxazole rCH 1.073 ±0.001 1.059 -0.014 5 8
C4H4N2 Succinonitrile rCC 1.561   1.547 -0.014 1 2
CH3NC methyl isocyanide rCH 1.094   1.081 -0.013 1 4
CH3CH(CH3)CH3 Isobutane rCH 1.100   1.087 -0.013 3 6
CH3CCH propyne rCH 1.096   1.083 -0.013 1 5
C6H12 Cyclohexane rCH 1.101   1.088 -0.013 1 7
CH2C(CH3)CH3 1-Propene, 2-methyl- rCH 1.088   1.075 -0.013 2 3
CH3NO3 Methyl nitrate rCH 1.088   1.075 -0.013 5 6
CH3NO nitrosomethane rCH 1.094   1.081 -0.013 1 4
SiHCl3 Trichlorosilane rSiH 1.464   1.451 -0.013 1 2
CH2CHF Ethene, fluoro- rCH 1.082   1.069 -0.013 1 4
F2 Fluorine diatomic rFF 1.412   1.399 -0.013 1 2
HOCl hypochlorous acid rOH 0.973 ±0.002 0.961 -0.013 1 2
C4H10O Ethoxy ethane rCH 1.100   1.088 -0.012 2 6
CH3OC2H5 Ethane, methoxy- rCH 1.099 ±0.007 1.087 -0.012 1 6
C4H6 Cyclobutene rCH 1.083   1.071 -0.012 1 5
C3H6O 2-Propen-1-ol rCH 1.096 ±0.030 1.084 -0.012 1 5
O2+ diatomic oxygen cation rOO 1.116   1.104 -0.012 1 2
CH3OC2H5 Ethane, methoxy- rCH 1.100 ±0.003 1.088 -0.012 3 8
C2H5N Aziridine rCH 1.083   1.071 -0.012 3 5
CH3OCH3 Dimethyl ether rCH 1.099 ±0.001 1.087 -0.012 2 6
CH3CH2CHO Propanal rCH 1.096   1.084 -0.012 1 5
CH2CO Ketene rCH 1.083   1.070 -0.012 1 4
HO2 Hydroperoxy radical rOH 0.971   0.959 -0.012 1 3
C6H8 1,4-Cyclohexadiene rCH 1.100   1.088 -0.012 1 11
CH3CHFCH3 2-Fluoropropane rCH 1.092   1.080 -0.012 1 3
ClCN chlorocyanogen rC#N 1.161   1.149 -0.011 2 3
CH3CHS Thioacetaldehyde rCH 1.098   1.087 -0.011 2 6
GeO Germanium monoxide rOGe 1.625   1.613 -0.011 1 2
CH3CHS Thioacetaldehyde rCH 1.089   1.078 -0.011 1 4
C4H6 Cyclobutene rCH 1.094   1.083 -0.011 3 7
SiH3Cl chlorosilane rSiH 1.475   1.464 -0.011 1 3
CH3CHFCH3 2-Fluoropropane rCH 1.094 ±0.005 1.083 -0.011 4 10
OCSe Carbonyl selenide rC=O 1.159   1.148 -0.011 1 2
CH3CH2Cl Ethyl chloride rCH 1.086   1.075 -0.011 2 7
C4H4N2 1,3-Diazine rC:N 1.350   1.339 -0.011 3 5
CH3CHS Thioacetaldehyde rCH 1.090   1.079 -0.011 2 5
CH2 Methylene rCH 1.085   1.074 -0.011 1 2
CH3CHFCH3 2-Fluoropropane rCH 1.093 ±0.006 1.082 -0.011 4 8
C3H4 cyclopropene rCH 1.088   1.077 -0.011 1 6
CH3OCHO methyl formate rCH 1.086   1.075 -0.011 1 5
CH3NO nitrosomethane rCH 1.092   1.081 -0.011 1 5
C3H7SH 1-Propanethiol rCH 1.090   1.079 -0.011 8 10
D2 Deuterium diatomic rDD 0.742   0.731 -0.011 1 2
SiH3F monofluorosilane rSiH 1.476   1.466 -0.010 1 3
H2 Hydrogen diatomic rHH 0.741   0.731 -0.010 1 2
C6H6 Fulvene rC=C 1.349 ±0.002 1.338 -0.010 1 2
HD Deuterium hydride rDH 0.741   0.731 -0.010 1 2
C4H10O Propane, 2-methoxy- rCH 1.095   1.085 -0.010 1 2
C4H8 cyclobutane rCH 1.093   1.083 -0.010 1 5
CH3SCH2CH3 Ethane, (methylthio)- rCH 1.090   1.080 -0.010 9 11
C2H2ClF 1-chloro-1-fluoroethylene rCH 1.082 ±0.001 1.072 -0.010 2 5
CH2F2 Methane, difluoro- rCH 1.084 ±0.003 1.074 -0.010 1 2
C6H6 Fulvene rCH 1.080 ±0.005 1.070 -0.010 5 11
C10H8 Azulene rCH 1.084   1.074 -0.010 4 14
C6H5OH phenol rCH 1.082   1.072 -0.010 4 11
CH2NN diazomethane rC=N 1.300   1.290 -0.010 1 2
C3H6 Cyclopropane rCH 1.083   1.073 -0.010 1 4
CH3CH(NH2)COOH Alanine rCC 1.544   1.534 -0.010 3 4
C10H8 Azulene rCH 1.080   1.070 -0.010 9 17
C3H8 Propane rCH 1.096   1.086 -0.010 1 4
C6H5OH phenol rCH 1.084   1.074 -0.010 2 9
C3H4 cyclopropene rCH 1.072   1.062 -0.010 2 4
HOI Hypoiodous acid rOH 0.967 ±0.008 0.957 -0.010 1 3
H2Cl+ dihydrogen monochloride cation rHCl 1.321 ±0.000 1.311 -0.010 1 2
C2H5N Aziridine rCH 1.084   1.074 -0.010 3 6
CH3NH2 methyl amine rCN 1.471 ±0.003 1.461 -0.010 1 2
C2H2 Acetylene rCH 1.063   1.054 -0.009 1 3
CH3SCH2CH3 Ethane, (methylthio)- rCH 1.089   1.080 -0.009 9 10
CH3OC2H5 Ethane, methoxy- rCH 1.092 ±0.007 1.083 -0.009 4 11
C4H8 cyclobutane rCH 1.091   1.082 -0.009 1 6
C4H4N2 1,3-Diazine rCH 1.079   1.070 -0.009 3 9
HNCNH diiminomethane rC=N 1.224 ±0.001 1.215 -0.009 1 2
CH3SCH2CH3 Ethane, (methylthio)- rCH 1.092   1.083 -0.009 1 3
CH3I methyl iodide rCH 1.084 ±0.003 1.075 -0.009 1 3
CHONH2 formamide rNH 1.001   0.992 -0.009 3 6
C6H6 Fulvene rCH 1.078 ±0.005 1.070 -0.008 3 9
C2H2+ acetylene cation rCH 1.077 ±0.005 1.069 -0.008 1 3
C10H8 Azulene rC:C 1.414   1.406 -0.008 7 9
C3H7SH 1-Propanethiol rCH 1.092   1.084 -0.008 5 7
C2H5F fluoroethane rCH 1.090 ±0.007 1.082 -0.008 2 7
CH3Br methyl bromide rCH 1.082 ±0.001 1.075 -0.008 1 3
C6H12 (E)-3-methylpent-2-ene rCC 1.551   1.543 -0.008 9 12
C6H12 Cyclohexane rCH 1.093   1.086 -0.008 1 13
HCCCN Cyanoacetylene rCH 1.062 ±0.001 1.055 -0.008 4 5
CH3OC2H5 Ethane, methoxy- rCH 1.086 ±0.010 1.078 -0.008 1 5
C2H3Cl Ethene, chloro- rCH 1.079   1.072 -0.007 2 5
ICN Cyanogen iodide rC#N 1.160 ±0.000 1.153 -0.007 2 3
CH2NN diazomethane rCH 1.075   1.068 -0.007 1 4
C4H10O Ethoxy ethane rCH 1.090   1.083 -0.007 4 12
HF+ hydrogen fluoride cation rHF 1.014   1.008 -0.007 1 2
C10H8 Azulene rCH 1.083   1.076 -0.007 5 15
CH3CCH propyne rCH 1.060   1.053 -0.007 3 4
C4H8O2 Ethyl acetate rCC 1.508   1.501 -0.007 1 2
CH3OCH3 Dimethyl ether rCH 1.085 ±0.001 1.078 -0.007 2 4
C2H5I Ethyl iodide rHC 1.093   1.086 -0.007 2 6
C5H10 2-Pentene, (Z)- rCH 1.092   1.086 -0.006 1 2
C6H6 Fulvene rC=C 1.355 ±0.004 1.349 -0.006 3 5
C4H10O Ethoxy ethane rCH 1.092   1.086 -0.006 4 10
H2O Water rOH 0.958 ±0.000 0.951 -0.006 1 2
NH2CONH2 Urea rNH 0.998   0.991 -0.006 4 8
C6H10 1-Butyne, 3,3-dimethyl- rC#C 1.209 ±0.001 1.203 -0.006 1 6
CH3CH(CH3)CH3 Isobutane rCH 1.092   1.086 -0.006 3 9
C2H3 vinyl rCH 1.085   1.079 -0.006 2 4
CH3CHO Acetaldehyde rCH 1.086   1.080 -0.006 2 5
C10H8 Azulene rCH 1.081   1.075 -0.006 1 11
C2H5F fluoroethane rCH 1.091 ±0.007 1.085 -0.006 2 6
CHONH2 formamide rNH 1.001   0.995 -0.006 3 5
CH3OCl methyl hypochlorite rCH 1.086 ±0.018 1.080 -0.006 3 5
C5H10 Cyclopropane, 1,1-dimethyl- rCH 1.080   1.074 -0.006 2 6
CH3CHClCH3 Propane, 2-chloro- rCH 1.092   1.086 -0.006 3 6
SiH4 Silane rSiH 1.480 ±0.000 1.474 -0.006 1 2
MgOH magnesium hydroxide rMgO 1.767   1.761 -0.006 1 2
SiH2F2 difluorosilane rSiH 1.462   1.456 -0.006 1 4
C3H6O Propylene oxide rCC 1.513   1.507 -0.006 2 6
CH2CHF Ethene, fluoro- rCH 1.077   1.072 -0.005 2 5
C2H2+ acetylene cation rC=C 1.253 ±0.001 1.248 -0.005 1 2
C4H5N Cyclopropanecarbonitrile rCC 1.513   1.508 -0.005 9 10
C6H5OH phenol rC:C 1.398   1.393 -0.005 1 2
C5H5N Pyridine rC:C 1.400   1.395 -0.005 2 5
CH3COCl Acetyl Chloride rCC 1.506   1.501 -0.005 1 2
CH3NHCH3 Dimethylamine rCH 1.098   1.093 -0.005 3 5
C5H9N Pentanenitrile rCC 1.478   1.473 -0.005 4 6
CH3CH2Cl Ethyl chloride rCH 1.090   1.086 -0.005 1 3
C3H6O 2-Propen-1-ol rCH 1.078 ±0.010 1.074 -0.004 3 8
C5H5N Bicyclo[1.1.0]butane-1-carbonitrile rCC 1.514   1.510 -0.004 3 9
CH3OC2H5 Ethane, methoxy- rCH 1.089 ±0.008 1.085 -0.004 4 10
CH3CHFCH3 2-Fluoropropane rCH 1.088 ±0.006 1.084 -0.004 4 6
CH4 Methane rCH 1.087 ±0.001 1.083 -0.004 1 2
C6H5OH phenol rCH 1.076   1.072 -0.004 3 10
CH3CH2O Ethoxy radical rCH 1.088   1.084 -0.004 2 7
SiH3+ Silyl cation rSiH 1.460 ±0.010 1.457 -0.003 1 2
C6H10 1-Butyne, 3,3-dimethyl- rCH 1.056 ±0.001 1.053 -0.003 6 7
CH2CCHCH3 1,2-Butadiene rC=C 1.314   1.311 -0.003 1 2
CH3CH2OH Ethanol rCH 1.088   1.085 -0.003 1 5
C3H5ClO Oxirane, (chloromethyl)- rCC 1.475   1.472 -0.003 3 4
C8H8 cyclooctatetraene rCH 1.079 ±0.001 1.077 -0.002 1 9
CH3NH2 methyl amine rCH 1.093 ±0.000 1.090 -0.002 1 3
SiH+ silicon monohydride cation rSiH 1.504   1.502 -0.002 1 2
CH3SCH2CH3 Ethane, (methylthio)- rCH 1.087   1.085 -0.002 1 2
C3H7N Cyclopropylamine rCH 1.080   1.078 -0.002 1 2
NO+ nitric oxide cation rN=O 1.066   1.064 -0.002 1 2
BN boron nitride rB=N 1.325   1.323 -0.002 1 2
CH3CH2O Ethoxy radical rCH 1.085   1.083 -0.002 1 5
SbH3 Stibine rSbH 1.700 ±0.000 1.698 -0.002 1 2
NH2F monofluoroamine rNF 1.433   1.431 -0.002 1 2
HOBr Hypobromous acid rOH 0.961   0.959 -0.002 1 2
CH3NHCH3 Dimethylamine rCH 1.084   1.083 -0.001 3 9
F2O Difluorine monoxide rFO 1.405   1.404 -0.001 1 2
N2O3 Dinitrogen trioxide rN=O 1.217   1.216 -0.001 2 5
CH3CH2O Ethoxy radical rCH 1.086   1.085 -0.001 1 4
MgOH magnesium hydroxide rOH 0.940   0.939 -0.001 1 3
CH3SeH Methane selenol rSeH 1.473 ±0.020 1.472 -0.001 1 3
C2H2 Acetylene rC#C 1.203   1.202 -0.001 1 2
H2Te Hydrogen Telluride rHTe 1.651 ±0.000 1.651 -0.001 1 2
C10H8 Azulene rC:C 1.405 ±0.001 1.404 -0.001 2 9
C6H5OCH3 Anisole rCO 1.433   1.432 -0.001 7 8
C10H8 Azulene rC:C 1.398   1.397 -0.001 1 3
C4H6 Bicyclo[1.1.0]butane rCC 1.497   1.496 -0.001 1 2
CH3CH2CHO Propanal rCC 1.509   1.509 -0.000 2 3
CH3CH2OH Ethanol rCH 1.086   1.086 0.000 2 8
O2 Oxygen diatomic rO=O 1.208   1.207 0.000 1 2
CH Methylidyne rCH 1.120   1.120 0.000 1 2
C8H8 cyclooctatetraene rC=C 1.337 ±0.001 1.338 0.000 1 2
MgH+ magnesium monohydride cation rMgH 1.652   1.652 0.001 1 2
C5H8 Cyclopentene rCC 1.518   1.519 0.001 2 4
BH3 boron trihydride rBH 1.190   1.191 0.001 1 2
CH2O2 Dioxirane rOO 1.516 ±0.003 1.516 0.001 4 5
DO Hydroxyl-d rDO 0.970   0.971 0.001 1 2
OH Hydroxyl radical rOH 0.970   0.971 0.001 1 2
C5H8O Methyl cyclopropyl ketone rCC 1.510   1.511 0.001 2 3
C5H8 1,3-Butadiene, 2-methyl- rCC 1.512   1.513 0.001 2 5
NH Imidogen rNH 1.036   1.038 0.001 1 2
C4H6O Cyclobutanone rCC 1.527   1.528 0.001 2 3
C6H8 (Z)-hexa-1,3,5-triene rC=C 1.337   1.338 0.001 3 5
CH3NC methyl isocyanide rC#N 1.166 ±0.003 1.168 0.002 2 3
DF Hydrofluoric acid-d rDF 0.917 ±0.000 0.920 0.002 1 2
HS+ sulfur monohydride cation rSH 1.374   1.377 0.002 1 2
C5H6 1-Buten-3-yne, 2-methyl- rCC 1.445   1.447 0.002 7 8
N2 Nitrogen diatomic rN#N 1.098   1.100 0.002 1 2
CH3COCl Acetyl Chloride rC=O 1.187   1.189 0.002 1 3
C3H4O Cyclopropanone rCC 1.575   1.578 0.003 3 4
CH2CHCH2CH2Cl 1-Butene, 4-chloro- rCC 1.508   1.511 0.003 2 6
C5H5N Bicyclo[1.1.0]butane-1-carbonitrile rCC 1.518   1.521 0.003 3 7
HF Hydrogen fluoride rHF 0.917 ±0.000 0.920 0.003 1 2
CH3NC methyl isocyanide rCN 1.426 ±0.003 1.429 0.003 1 2
CCl2O Phosgene rC=O 1.177   1.180 0.003 1 2
C3H7SH 1-Propanethiol rCC 1.529   1.532 0.003 7 10
C4H8O2 Ethyl acetate rCC 1.515   1.519 0.004 5 6
C5H6 Bicyclo[2.1.0]pent-2-ene rCC 1.530   1.534 0.004 1 3
C7H16 heptane rCC 1.534   1.538 0.004 1 2
C4H10O Ethoxy ethane rCC 1.517   1.521 0.004 2 4
C3F6 hexafluoropropene rCF 1.329 ±0.003 1.333 0.004 1 4
AsH3 Arsine rAsH 1.511 ±0.000 1.515 0.005 1 2
SiH Silylidyne rSiH 1.520   1.525 0.005 1 2
P2H4 Diphosphine rPH 1.417   1.422 0.005 1 3
C3H8O2 Methane, dimethoxy- rCO 1.432   1.437 0.005 4 6
C5H5N Pyridine rC:C 1.390   1.395 0.005 3 5
TeH Telluryl radical rHTe 1.656 ±0.000 1.662 0.006 1 2
C5H8 Cyclobutane, methylene- rCC 1.524   1.530 0.006 1 3
P2H4 Diphosphine rPH 1.414   1.420 0.006 1 4
HI Hydrogen iodide rHI 1.609 ±0.000 1.615 0.006 1 2
C4H4N2 Succinonitrile rCC 1.465   1.471 0.006 1 3
CH2CHCH2CH3 1-Butene rCC 1.536   1.542 0.006 1 2
C3H3NO Oxazole rCO 1.357 ±0.003 1.363 0.006 1 2
C4H4N2 Pyridazine rCH 1.064   1.070 0.006 1 5
C10H8 Azulene rC:C 1.484   1.490 0.006 7 8
CH2NN diazomethane rN=N 1.139   1.146 0.007 2 3
CH2I2 Diiodomethane rCH 1.066 ±0.015 1.073 0.007 1 4
N(CH3)3 Trimethylamine rCH 1.088   1.095 0.007 2 5
C4H8O2 Ethyl acetate rCO 1.345   1.352 0.007 2 3
C3H5 Allyl radical rCH 1.069   1.076 0.007 1 2
CH3CH2CH2CH3 Butane rCC 1.531   1.538 0.007 1 2
C4H6O Cyclobutanone rCC 1.556   1.564 0.008 3 5
C5H8 Bicyclo[2.1.0]pentane rCC 1.565   1.573 0.008 3 4
CH3OCHO methyl formate rCO 1.334   1.342 0.008 2 3
C4H5N (E)-2-Butenenitrile rCC 1.432   1.440 0.008 8 10
C4H4N2 1,3-Diazine rC:N 1.328   1.336 0.008 2 6
C5H10 Cyclopropane, 1,1-dimethyl- rCC 1.514   1.522 0.008 1 4
HOI Hypoiodous acid rOI 1.994 ±0.000 2.002 0.008 1 2
C6H6 Fulvene rCC 1.476 ±0.008 1.484 0.008 5 6
CN- cyanide anion rC#N 1.177 ±0.004 1.185 0.008 1 2
CF3COOH trifluoroacetic acid rC=O 1.192 ±0.003 1.201 0.009 2 4
N3 azide radical rNN 1.181   1.190 0.009 1 2
CH2CO Ketene rC=O 1.162   1.171 0.009 2 3
COBr2 Carbonic dibromide rC=O 1.172 ±0.003 1.181 0.009 1 2
BeH2 beryllium dihydride rBeH 1.326 ±0.000 1.335 0.009 1 2
CH3CH2CHO Propanal rCC 1.523   1.532 0.009 1 2
BeO beryllium oxide rBe=O 1.331   1.340 0.010 1 2
MgH magnesium monohydride rMgH 1.730   1.739 0.010 1 2
CO Carbon monoxide rC#O 1.128 ±0.000 1.138 0.010 1 2
BH Boron monohydride rBH 1.232   1.243 0.010 1 2
C2H Ethynyl radical rCH 1.047   1.057 0.010 1 3
NH2SH Thiohydroxylamine rSH 1.344 ±0.029 1.355 0.011 2 3
C5H8 Ethenylcyclopropane rCC 1.475   1.486 0.011 1 2
GeH3F monofluorogermane rGeH 1.515 ±0.000 1.526 0.012 1 3
C5H7N Cyclobutanecarbonitrile rCC 1.551   1.563 0.012 3 6
OH- hydroxide anion rOH 0.964   0.976 0.012 1 2
C2H5F fluoroethane rCC 1.505 ±0.007 1.517 0.012 1 2
C8H8 cyclooctatetraene rCC 1.470 ±0.001 1.482 0.012 1 5
AsH Arsenic monohydride rAsH 1.535 ±0.001 1.547 0.013 1 2
H2Se Hydrogen selenide rSeH 1.460   1.473 0.013 1 2
C6H6 Fulvene rCC 1.470 ±0.004 1.483 0.013 1 3
CSe2 Carbon diselenide rC=Se 1.692 ±0.000 1.705 0.013 1 2
CaOH Calcium monohydroxide rOH 0.930 ±0.007 0.943 0.013 2 3
C5H8 Bicyclo[2.1.0]pentane rCC 1.528   1.542 0.014 1 3
HCl+ hydrogen chloride cation rHCl 1.315   1.328 0.014 1 2
C5H6 Propellane rCC 1.525 ±0.002 1.539 0.014 1 2
C10H8 naphthalene rC:C 1.410   1.424 0.014 2 3
HSe Selenium monohydride rSeH 1.475 ±0.010 1.489 0.014 1 2
CH3OC2H5 Ethane, methoxy- rCO 1.415 ±0.005 1.429 0.014 1 2
BO boron monoxide rB=O 1.205   1.219 0.014 1 2
C5H12O Butane, 1-methoxy- rCO 1.415   1.429 0.014 3 4
DCl Hydrochloric acid-d rDCl 1.275 ±0.000 1.289 0.014 1 2
SCSe Carbon sulfide selenide rC=Se 1.695 ±0.002 1.710 0.015 1 3
HCl Hydrogen chloride rHCl 1.275 ±0.000 1.289 0.015 1 2
C4H6 Cyclobutene rCC 1.517   1.532 0.015 1 3
TeO Tellurium monoxide rO=Te 1.825   1.840 0.015 1 2
C5H8O 2H-Pyran, 3,4-dihydro- rCC 1.516   1.532 0.016 10 13
H2CSe Selenoformaldehyde rC=Se 1.753   1.769 0.016 1 2
PN Phosphorus mononitride rP#N 1.491   1.507 0.016 1 2
C10H8 Azulene rC:C 1.377   1.393 0.016 5 7
C4H8O2 Ethyl acetate rC=O 1.203   1.219 0.016 2 4
SiO Silicon monoxide rSiO 1.510 ±0.000 1.526 0.016 1 2
CH3OCHO methyl formate rCO 1.437   1.454 0.017 1 2
ICN Cyanogen iodide rCI 1.992 ±0.000 2.009 0.017 1 2
NS+ nitrogen sulfide cation rNS 1.440   1.457 0.017 1 2
CH3OCH3 Dimethyl ether rCO 1.411 ±0.001 1.429 0.018 1 2
CH3ONO Methyl nitrite rN=O 1.182   1.200 0.018 6 7
C3H6 Cyclopropane rCC 1.501   1.519 0.018 1 2
C3H3NO Oxazole rCO 1.370 ±0.002 1.388 0.018 1 5
CH2CHCH2CH3 1-Butene rCC 1.493   1.511 0.018 2 3
C3O2 Carbon suboxide rC=C 1.251   1.269 0.018 1 2
C5H8 1,3-Butadiene, 2-methyl- rCC 1.463   1.481 0.018 2 3
LiOH lithium hydroxide rLiO 1.582   1.600 0.018 1 2
BeH beryllium monohydride rBeH 1.343   1.361 0.018 1 2
C5H8O Cyclopentanone rCC 1.504   1.523 0.019 2 3
C3O2 Carbon suboxide rC=O 1.146   1.165 0.019 2 4
GaAs Gallium arsenide rGa#As 2.530 ±0.020 2.549 0.019 1 2
HBr+ hydrogen bromide cation rHBr 1.448   1.467 0.019 1 2
N2O3 Dinitrogen trioxide rN=O 1.142   1.161 0.019 1 3
N2O3 Dinitrogen trioxide rN=O 1.202   1.221 0.019 2 4
C6H5OH phenol rCO 1.364   1.384 0.020 1 7
LiNH2 lithium amide rLiN 1.736 ±0.003 1.756 0.020 1 2
B2H6 Diborane rBH 1.320   1.340 0.020 1 3
C5H10 2-Pentene, (Z)- rCH 1.058   1.079 0.021 12 13
AlNC Aluminum isocyanide rAlN 1.855 ±0.005 1.876 0.021 1 2
C5H10 2-Pentene, (Z)- rCC 1.490   1.511 0.021 8 14
CHF2Cl difluorochloromethane rCF 1.350 ±0.010 1.371 0.021 1 4
C5H6 Propellane rCC 1.596 ±0.005 1.618 0.022 2 5
NaF sodium fluoride rNaF 1.926 ±0.000 1.948 0.022 1 2
GeH germylidene rGeH 1.588   1.610 0.022 1 2
CH2C(CH3)OCH3 1-Propene, 2-methoxy- rCO 1.416   1.438 0.022 1 5
C4H6 Methylenecyclopropane rCC 1.457   1.479 0.022 2 5
SCSe Carbon sulfide selenide rC=S 1.553 ±0.002 1.575 0.022 1 2
AsF5 Arsenic pentafluoride rAsF 1.711 ±0.005 1.733 0.022 1 5
HS Mercapto radical rSH 1.341   1.364 0.023 1 2
CO+ carbon monoxide cation rC=O 1.115 ±0.000 1.138 0.023 1 2
DS Mercapto-d rSD 1.341   1.364 0.023 1 2
HNCO Isocyanic acid rC=O 1.164   1.187 0.023 3 4
Si(CH3)4 tetramethylsilane rSiC 1.875 ±0.002 1.899 0.024 1 2
ArH+ Argon hydride cation rArH 1.292 ±0.000 1.316 0.024 1 2
C4H10O Ethoxy ethane rCO 1.411   1.435 0.024 1 2
PH phosphorus monohydride rPH 1.422   1.447 0.024 1 2
C4H10O Propane, 2-methoxy- rCO 1.422   1.446 0.024 5 14
CH2FCl fluorochloromethane rCF 1.370 ±0.001 1.394 0.024 1 2
CH3ONO Methyl nitrite rCO 1.437   1.462 0.025 1 2
GeF+ Germanium monofluoride cation rFGe 1.665 ±0.000 1.690 0.025 1 2
C2HF3 Trifluoroethylene rCF 1.316 ±0.011 1.342 0.026 1 3
FNO2 Nitryl fluoride rN=O 1.180 ±0.005 1.206 0.026 1 3
MgO magnesium oxide rMgO 1.749   1.776 0.027 1 2
C2 Carbon diatomic rC=C 1.243   1.270 0.028 1 2
BeS beryllium sulfide rBe=S 1.742   1.769 0.028 1 2
CH3OC2H5 Ethane, methoxy- rCO 1.407 ±0.004 1.435 0.028 2 3
GeH3F monofluorogermane rGeF 1.731 ±0.000 1.759 0.028 1 2
KrH+ Protonated Krypton rHKr 1.421 ±0.000 1.449 0.028 1 2
CSe Carbon monoselenide rC=Se 1.676 ±0.000 1.705 0.028 1 2
HBr hydrogen bromide rHBr 1.414 ±0.000 1.443 0.029 1 2
C5H8 Bicyclo[2.1.0]pentane rCC 1.507   1.536 0.029 1 2
C4H8O2 1,3-Dioxane rCO 1.393   1.422 0.029 1 2
C2H Ethynyl radical rC#C 1.217   1.246 0.029 1 2
CH2O2 Dioxirane rCO 1.388 ±0.004 1.417 0.029 1 4
BF3 Borane, trifluoro- rBF 1.307   1.336 0.029 1 2
AlH aluminum monohydride rAlH 1.648   1.677 0.029 1 2
CH3CH(NH2)COOH Alanine rCC 1.509   1.539 0.030 2 3
CFCl3 Trichloromonofluoromethane rCF 1.345 ±0.003 1.375 0.030 1 2
C5H10 2-Pentene, (E)- rCC 1.484   1.515 0.031 4 11
H2CS Thioformaldehyde rC=S 1.611   1.643 0.032 1 2
C3H8O2 Methane, dimethoxy- rCO 1.382   1.416 0.034 1 4
CBrClF2 Methane, bromochlorodifluoro- rCBr 1.932 ±0.004 1.966 0.034 1 2
CN Cyano radical rC#N 1.172   1.206 0.034 1 2
BS boron sulfide rBS 1.609   1.644 0.035 1 2
As2 Arsenic diatomic rAs#As 2.103   2.138 0.036 1 2
CHF3 Methane, trifluoro- rCF 1.328 ±0.003 1.364 0.036 1 3
HS- mercapto anion rSH 1.343   1.379 0.036 1 2
C2H5F fluoroethane rCF 1.398 ±0.007 1.435 0.037 1 3
IF Iodine monofluoride rFI 1.910   1.949 0.039 1 2
GeF Germanium monofluoride rFGe 1.745   1.784 0.039 1 2
CH2F2 Methane, difluoro- rCF 1.351 ±0.001 1.390 0.040 1 4
NO- nitric oxide anion rN=O 1.258 ±0.010 1.298 0.040 1 2
Si2 Silicon diatomic rSiSi 2.246   2.287 0.041 1 2
CH2C(CH3)OCH3 1-Propene, 2-methoxy- rCO 1.353   1.394 0.041 5 10
LiF lithium fluoride rLiF 1.564 ±0.000 1.606 0.042 1 2
HO2 Hydroperoxy radical rOO 1.331   1.374 0.043 1 2
CFCl3 Trichloromonofluoromethane rCCl 1.764 ±0.001 1.808 0.044 1 3
CH3I methyl iodide rCI 2.136 ±0.002 2.180 0.045 1 2
AsF3 Arsenic trifluoride rAsF 1.706 ±0.002 1.751 0.045 1 2
CI4 tetraiodomethane rCI 2.157 ±0.010 2.202 0.045 1 2
ClCN chlorocyanogen rCCl 1.629   1.677 0.048 1 2
NO Nitric oxide rN=O 1.154 ±0.000 1.202 0.048 1 2
SeO2 Selenium dioxide rSeO 1.607 ±0.001 1.656 0.049 1 2
P2 Phosphorus diatomic rP#P 1.893   1.944 0.051 1 2
NSe Nitrogen monoselenide rN=Se 1.652   1.703 0.051 1 2
MgS magnesium sulfide rMgS 2.143   2.194 0.052 1 2
HOBr Hypobromous acid rBrO 1.834   1.886 0.052 2 3
SeO Selenium monoxide rSeO 1.639 ±0.001 1.692 0.052 1 2
C2H6O2S Dimethyl sulfone rCS 1.777 ±0.006 1.830 0.053 1 4
XeF2 Xenon difluoride rFXe 1.974 ±0.000 2.029 0.055 1 2
CCl2O Phosgene rCCl 1.737   1.791 0.055 2 3
OPCl Phosphorus oxychloride rP=O 1.462 ±0.011 1.518 0.056 1 2
CHClCCl2 Trichloroethylene rCCl 1.712   1.768 0.056 2 6
OCSe Carbonyl selenide rC=Se 1.709   1.765 0.056 1 3
SiS silicon monosulfide rSiS 1.929 ±0.000 1.985 0.056 1 2
SiP Silicon monophosphide rSiP 2.078 ±0.002 2.134 0.056 1 2
AsF5 Arsenic pentafluoride rAsF 1.656 ±0.004 1.713 0.057 1 2
CHF2Cl difluorochloromethane rCCl 1.747 ±0.010 1.804 0.057 1 3
SO+ sulfur monoxide cation rO=S 1.424   1.482 0.058 1 2
SiF4 Silicon tetrafluoride rSiF 1.554   1.613 0.059 1 2
CH2Cl2 Methylene chloride rCCl 1.767 ±0.002 1.827 0.060 1 4
CH3CSNH2 Ethanethioamide rC=S 1.647 ±0.002 1.707 0.060 1 2
CH3COCl Acetyl Chloride rCCl 1.798   1.859 0.061 1 4
CH3SCH2CH3 Ethane, (methylthio)- rCS 1.804   1.865 0.061 8 9
NF nitrogen fluoride rNF 1.317   1.378 0.061 1 2
GeS Germanium monosulfide rS=Ge 2.012 ±0.000 2.073 0.061 1 2
CF Fluoromethylidyne rCF 1.276   1.338 0.062 1 2
BrF5 bromine pentafluoride rFBr 1.774 ±0.003 1.837 0.063 1 3
CHClCCl2 Trichloroethylene rCCl 1.720   1.783 0.063 2 5
CBr4 Carbon tetrabromide rCBr 1.942 ±0.002 2.006 0.064 1 2
XeF4 Xenon tetrafluoride rFXe 1.935 ±0.000 1.999 0.064 1 2
CH2Br2 dibromomethane rCBr 1.925 ±0.002 1.989 0.064 1 4
AsF Arsenic monofluoride rFAs 1.736 ±0.001 1.800 0.064 1 2
CHBr3 bromoform rCBr 1.924 ±0.005 1.990 0.066 1 3
CH2FCl fluorochloromethane rCCl 1.762 ±0.000 1.829 0.067 1 3
MgCl magnesium monochloride rMgCl 2.199   2.266 0.067 1 2
BF Boron monofluoride rBF 1.267 ±0.000 1.336 0.069 1 2
AlF Aluminum monofluoride rAlF 1.654 ±0.000 1.725 0.070 1 2
C4H8O2 Ethyl acetate rCO 1.448   1.519 0.071 5 6
CH3SCH2CH3 Ethane, (methylthio)- rCS 1.804   1.875 0.071 5 8
BrF Bromine monofluoride rFBr 1.759 ±0.000 1.830 0.071 1 2
HOCl hypochlorous acid rClO 1.697 ±0.001 1.769 0.072 1 3
NaCl Sodium Chloride rNaCl 2.361 ±0.000 2.433 0.072 1 2
SiF2 Silicon difluoride rFSi 1.590 ±0.000 1.663 0.073 1 2
BeF Beryllium monofluoride rBeF 1.361   1.435 0.074 1 2
BrF3 Bromine trifluoride rFBr 1.810 ±0.000 1.884 0.074 1 3
BrF3 Bromine trifluoride rFBr 1.721   1.795 0.074 1 2
C2Cl2 dichloroacetylene rCCl 1.612 ±0.030 1.691 0.079 1 3
AlC Aluminum carbide rC=Al 1.955   2.034 0.079 1 2
CH3Br methyl bromide rCBr 1.934 ±0.000 2.013 0.079 1 2
SiF silicon monofluoride rSiF 1.604   1.684 0.080 1 2
CH2ClCH2Cl Ethane, 1,2-dichloro- rCCl 1.790   1.871 0.081 1 3
SiH3F monofluorosilane rSiF 1.595   1.676 0.082 1 2
SiC silicon monocarbide rCSi 1.722   1.804 0.082 1 2
LiCl lithium chloride rLiCl 2.021 ±0.000 2.103 0.083 1 2
PF5 Phosphorus pentafluoride rFP 1.577   1.660 0.083 1 5
BeCl beryllium monochloride rBeCl 1.797   1.880 0.083 1 2
PO- phosphorus monoxide anion rOP 1.540   1.629 0.089 1 2
B2 Boron diatomic rBB 1.590   1.680 0.090 1 2
SO Sulfur monoxide rS=O 1.481   1.573 0.092 1 2
SiI4 silicon tetraiodide rSiI 2.432 ±0.005 2.527 0.095 1 2
S2+ sulfur diatomic cation rS=S 1.825 ±0.010 1.921 0.096 1 2
TiCl Titanium Monochloride rClTi 2.265 ±0.000 2.361 0.096 1 2
CuF Copper monofluoride rCuF 1.745 ±0.000 1.841 0.096 1 2
GeBr4 Germanium tetrabromide rGeBr 2.272 ±0.001 2.369 0.097 1 2
PF5 Phosphorus pentafluoride rPF 1.534   1.633 0.099 1 2
CCl2 dichloromethylene rCCl 1.711   1.812 0.101 1 2
Se2 Selenium diatomic rSe=Se 2.166 ±0.001 2.268 0.102 1 2
KF Potassium Fluoride rKF 2.171 ±0.000 2.274 0.103 1 2
LiI Lithium Iodide rLiI 2.392 ±0.000 2.495 0.103 1 2
PF2 Phosphorus difluoride rPF 1.579   1.683 0.104 1 2
PO2 Phosphorus dioxide rP=O 1.467   1.572 0.106 1 2
ClFO3 Perchloryl fluoride rFCl 1.598   1.705 0.107 1 2
SiHCl3 Trichlorosilane rSiCl 2.020   2.127 0.107 1 3
PF+ phosphorus monofluoride cation rFP 1.500   1.609 0.109 1 2
SF Monosulfur monofluoride rSF 1.599   1.708 0.109 1 2
F2SO Thionyl Fluoride rFS 1.585 ±0.000 1.695 0.109 1 3
BCl boron monochloride rBCl 1.719 ±0.000 1.829 0.109 1 2
KH Potassium hydride rKH 2.243 ±0.001 2.353 0.111 1 2
SiH2Cl2 dichlorosilane rSiCl 2.033 ±0.003 2.145 0.112 1 4
PF phosphorus monofluoride rFP 1.593   1.705 0.112 1 2
SF4 Sulfur tetrafluoride rSF 1.646 ±0.003 1.758 0.112 1 2
CuH Copper monohydride rCuH 1.463   1.576 0.113 1 2
BrF5 bromine pentafluoride rFBr 1.689 ±0.008 1.802 0.113 1 2
NaBr Sodium Bromide rNaBr 2.502 ±0.000 2.617 0.115 1 2
CFCl chlorofluoromethylene rCCl 1.714   1.829 0.115 1 3
SOF4 Sulfur tetrafluoride oxide rFS 1.596 ±0.003 1.713 0.117 1 3
SSO Disulfur monoxide rS=O 1.456   1.573 0.117 1 2
LiBr Lithium Bromide rLiBr 2.170 ±0.000 2.288 0.117 1 2
SF4 Sulfur tetrafluoride rSF 1.545 ±0.003 1.662 0.117 1 4
SiH3Cl chlorosilane rSiCl 2.051   2.170 0.120 1 2
AlN Aluminum nitride rN#Al 1.786   1.907 0.121 1 2
CaOH Calcium monohydroxide rOCa 1.976 ±0.004 2.097 0.121 1 2
HClO4 perchloric acid rOCl 1.641 ±0.002 1.762 0.121 1 3
SiBr+ Silicon monobromide cation rSiBr 2.095 ±0.000 2.218 0.122 1 2
AlS Aluminum sulfide rAlS 2.029   2.151 0.122 1 2
HCCl Chloromethylene rCCl 1.696 ±0.003 1.820 0.124 1 2
S2 Sulfur diatomic rS=S 1.889   2.021 0.132 1 2
SOF4 Sulfur tetrafluoride oxide rFS 1.539 ±0.003 1.672 0.133 1 5
CaF Calcium monofluoride rFCa 1.967 ±0.001 2.102 0.135 1 2
SOCl2 thionyl chloride rS=O 1.443 ±0.006 1.579 0.136 1 2
CrH Chromium hydride rHCr 1.655 ±0.001 1.794 0.139 1 2
ICl Iodine monochloride rClI 2.321 ±0.000 2.461 0.140 1 2
SeCl2 Selenium Dichloride rClSe 2.157 ±0.003 2.299 0.142 1 2
F2SO Thionyl Fluoride rO=S 1.413 ±0.000 1.555 0.142 1 2
HSiCl Chlorosilylene rSiCl 2.067 ±0.003 2.209 0.142 1 2
Li2 Lithium diatomic rLiLi 2.673   2.817 0.144 1 2
As4 Arsenic tetramer rAsAs 2.435   2.579 0.144 1 2
AlCl Aluminum monochloride rAlCl 2.130 ±0.000 2.274 0.144 1 2
KCl Potassium Chloride rKCl 2.667 ±0.000 2.813 0.146 1 2
GeCl Germanium monochloride rClGe 2.164 ±0.000 2.311 0.147 1 2
GaBr Gallium monobromide rGaBr 2.352 ±0.000 2.500 0.147 1 2
AlO Aluminum monoxide rAlO 1.618   1.767 0.149 1 2
SiCl Clorosilylidyne rSiCl 2.061 ±0.000 2.210 0.149 1 2
CaH Calcium monohydride rCaH 2.003 ±0.000 2.152 0.149 1 2
I2 Iodine diatomic rII 2.665   2.817 0.152 1 2
CCl carbon monochloride rCCl 1.649   1.805 0.156 1 2
CuCl Copper monochloride rCuCl 2.051 ±0.000 2.208 0.157 1 2
IBr Iodine monobromide rBrI 2.469 ±0.000 2.629 0.160 1 2
SSO Disulfur monoxide rS=S 1.884   2.046 0.162 2 3
AlI Aluminum monoiodide rAlI 2.537 ±0.000 2.701 0.164 1 2
PCl5 Phosphorus pentachloride rPCl 2.020   2.191 0.171 1 2
AlBr Aluminum monobromide rAlBr 2.295   2.467 0.172 1 2
BrCl Bromine monochloride rClBr 2.136 ±0.000 2.310 0.174 1 2
CaC Calcium monocarbide rC#Ca 2.302   2.477 0.176 1 2
Br2 Bromine diatomic rBrBr 2.281   2.462 0.181 1 2
Cl2+ chlorine diatomic cation rClCl 1.892   2.073 0.181 1 2
Cl2 Chlorine diatomic rClCl 1.988   2.172 0.184 1 2
HSSSH trisulfane rSS 2.054 ±0.000 2.240 0.186 1 2
PCl5 Phosphorus pentachloride rPCl 2.124   2.311 0.187 1 5
OPCl Phosphorus oxychloride rPCl 2.059 ±0.004 2.248 0.190 1 3
SCl2 Sulfur dichloride rSCl 2.013 ±0.001 2.203 0.190 1 2
Cu2 Copper diatomic rCuCu 2.220   2.420 0.200 1 2
PO Phosphorus monoxide rP=O 1.476   1.684 0.209 1 2
PCl phosphorus chloride rPCl 2.018   2.235 0.217 1 2
CaCl calcium monochloride rClCa 2.437   2.658 0.221 1 2
C2H6O2S Dimethyl sulfone rS=O 1.431 ±0.004 1.666 0.235 1 2
CaBr Calcium monobromide rCaBr 2.594 ±0.000 2.866 0.272 1 2
C4H10O Methyl propyl ether rCH 1.099   1.429 0.330 1 2
Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- rAlCl 2.040 ±0.040 2.400 0.360 1 3
PS phosphorus sulfide rP=S 1.900   2.262 0.362 1 2
CaO Calcium monoxide rOCa 1.822   2.192 0.370 1 2
HClO4 perchloric acid rO=Cl 1.404 ±0.001 2.259 0.855 1 4
HClO4 perchloric acid rO=Cl 1.414 ±0.001 2.491 1.077 1 2
ClFO3 Perchloryl fluoride rCl=O 1.400   2.548 1.148 2 3
575 molecules.