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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 MP2/CEP-121G

Species Name Bond type Bond Length (Å)
Experimental unc. Calculated Difference atom1 atom2
C4H10O Methyl propyl ether rCC 1.530   1.105 -0.425 5 13
PO Phosphorus monoxide rP=O 1.476   1.423 -0.053 1 2
C6H6 Fulvene rCH 1.130 ±0.030 1.095 -0.035 2 7
LiOH lithium hydroxide rLiO 1.582   1.552 -0.030 1 2
C5H8O Methyl cyclopropyl ketone rCH 1.126   1.099 -0.027 3 7
C2H2O2 Ethanedial rCH 1.132   1.106 -0.026 1 3
HeH+ Helium hydride cation rHHe 0.790   0.770 -0.019 1 2
NO Nitric oxide rN=O 1.154 ±0.000 1.136 -0.017 1 2
CH2ClCH2Cl Ethane, 1,2-dichloro- rCH 1.112   1.095 -0.017 1 5
CN Cyano radical rC#N 1.172   1.156 -0.016 1 2
C5H10 2-Pentene, (E)- rCC 1.576   1.562 -0.014 11 15
MgO magnesium oxide rMgO 1.749   1.737 -0.012 1 2
LiNH2 lithium amide rLiN 1.736 ±0.003 1.724 -0.012 1 2
CH3OCl methyl hypochlorite rCH 1.111 ±0.018 1.099 -0.012 3 4
C7H16 heptane rCH 1.121 ±0.007 1.109 -0.012 1 8
C2H Ethynyl radical rC#C 1.217   1.205 -0.012 1 2
LiF lithium fluoride rLiF 1.564 ±0.000 1.553 -0.011 1 2
Si(CH3)4 tetramethylsilane rCH 1.115 ±7.000 1.105 -0.010 2 6
NH3BF3 Amminetrifluoroboron rBN 1.673   1.663 -0.010 1 2
CH3CH2CH2CH3 Butane rCH 1.117   1.107 -0.010 1 5
N(CH3)3 Trimethylamine rCH 1.109   1.101 -0.008 2 8
C4H8O2 Ethyl acetate rCH 1.105   1.097 -0.008 1 7
CH3COCl Acetyl Chloride rCH 1.105   1.098 -0.007 2 5
C2Cl2 dichloroacetylene rC#C 1.246 ±0.030 1.239 -0.007 1 2
C6H8 (Z)-hexa-1,3,5-triene rCH 1.104   1.098 -0.006 1 7
D2 Deuterium diatomic rDD 0.742   0.737 -0.004 1 2
H2 Hydrogen diatomic rHH 0.741   0.737 -0.004 1 2
HD Deuterium hydride rDH 0.741   0.737 -0.004 1 2
C5H8 Ethenylcyclopropane rCH 1.099   1.095 -0.004 1 6
CH3OCHO methyl formate rCH 1.101   1.097 -0.004 3 8
CH3CHO Acetaldehyde rCH 1.114   1.111 -0.003 1 4
CH3CH2CHO Propanal rCH 1.115   1.112 -0.003 3 10
CH3ONO Methyl nitrite rCH 1.102   1.100 -0.002 1 4
CH3CH2CHO Propanal rCH 1.103   1.101 -0.002 1 6
CH2NH Methanimine rCH 1.103   1.102 -0.001 1 3
C2H3Cl Ethene, chloro- rCH 1.090   1.090 0.000 1 4
LiOH lithium hydroxide rOH 0.969   0.969 0.000 1 3
B2H6 Diborane rBH 1.200   1.200 0.000 1 5
C8H8 cubane rCH 1.097   1.098 0.001 1 9
CHF3 Methane, trifluoro- rCH 1.091 ±0.014 1.092 0.001 1 2
CH2O2 Dioxirane rCH 1.090 ±0.002 1.092 0.002 1 2
NH4+ ammonium cation rHN 1.029 ±0.000 1.031 0.002 1 2
C3H8O2 1,3-Propanediol rOH 0.980   0.982 0.002 6 8
C4H5N Cyclopropanecarbonitrile rCC 1.472   1.474 0.002 6 8
CH3NO3 Methyl nitrate rCH 1.095   1.098 0.003 5 8
CH3CH2OH Ethanol rCH 1.098   1.101 0.003 1 6
CH2FCl fluorochloromethane rCH 1.090 ±0.010 1.093 0.003 1 4
CH3NH2 methyl amine rNH 1.018 ±0.001 1.021 0.003 2 6
CH3CH2CHO Propanal rCH 1.105   1.108 0.003 2 8
C3H6O 2-Propen-1-ol rCH 1.092 ±0.010 1.095 0.003 2 7
C3H4N2 1H-Pyrazole rCH 1.083   1.086 0.003 5 6
LiO lithium oxide rLiO 1.688   1.692 0.004 1 2
CO+ carbon monoxide cation rC=O 1.115 ±0.000 1.119 0.004 1 2
CH3NHCH3 Dimethylamine rCH 1.098   1.102 0.004 3 7
CH3NC methyl isocyanide rCH 1.094   1.098 0.004 1 4
C2H5F fluoroethane rCH 1.095 ±0.007 1.099 0.004 1 4
CH3ONO Methyl nitrite rCH 1.090   1.094 0.004 1 3
C3H6O 2-Propen-1-ol rCH 1.091 ±0.010 1.095 0.004 3 9
CH2PH Phosphaethene rCH 1.090 ±0.015 1.094 0.004 1 4
CH2PH Phosphaethene rCH 1.090 ±0.015 1.094 0.004 1 3
C3H4N2 1H-Pyrazole rCH 1.082   1.086 0.004 1 2
CH2C(CH3)OCH3 1-Propene, 2-methoxy- rCH 1.087   1.091 0.004 11 12
C4H4N2 1,3-Diazine rCH 1.087   1.091 0.004 1 7
C3H6O 2-Propen-1-ol rCH 1.102 ±0.020 1.107 0.005 1 6
H2CSe Selenoformaldehyde rHC 1.090   1.095 0.005 1 3
CH2 Methylene rCH 1.085   1.090 0.005 1 2
CH3SCH2CH3 Ethane, (methylthio)- rCH 1.097   1.102 0.005 5 6
C6H8 1,4-Cyclohexadiene rCH 1.100   1.105 0.005 1 11
CH2CO Ketene rCH 1.083   1.088 0.006 1 4
CH3CCH propyne rCH 1.096   1.102 0.006 1 5
C3H4N2 1H-Pyrazole rCH 1.080   1.086 0.006 3 4
C2H5N Aziridine rCH 1.083   1.089 0.006 3 5
C4H6S Thiophene, 2,5-dihydro- rCH 1.095   1.101 0.006 2 6
CH3CH(CH3)CH3 Isobutane rCH 1.100   1.106 0.006 3 6
CH3CH2CHO Propanal rCH 1.096   1.102 0.006 1 5
CH2C(CH3)CH3 1-Propene, 2-methyl- rCH 1.088   1.095 0.007 2 3
C4H4N2 1,3-Diazine rCH 1.082   1.089 0.007 2 8
C3H3NO Oxazole rCH 1.075 ±0.001 1.082 0.007 2 6
CH2CHF Ethene, fluoro- rCH 1.082   1.089 0.007 1 4
CH2Cl2 Methylene chloride rCH 1.085 ±0.002 1.092 0.007 1 2
CH3NO nitrosomethane rCH 1.094   1.101 0.007 1 4
C2H2ClF 1-chloro-1-fluoroethylene rCH 1.082 ±0.001 1.089 0.007 2 5
C3H3NO Oxazole rCH 1.075 ±0.001 1.082 0.007 4 7
CH3OC2H5 Ethane, methoxy- rCH 1.099 ±0.007 1.106 0.007 1 6
CH3OCHO methyl formate rCH 1.086   1.093 0.007 1 5
CH3CHFCH3 2-Fluoropropane rCH 1.093 ±0.006 1.100 0.007 4 8
CH3CHS Thioacetaldehyde rCH 1.098   1.105 0.007 2 6
CH3OCH3 Dimethyl ether rCH 1.099 ±0.001 1.106 0.007 2 6
C3H3NO Oxazole rCH 1.073 ±0.001 1.081 0.008 5 8
CH3CHFCH3 2-Fluoropropane rCH 1.094 ±0.005 1.102 0.008 4 10
C3H4 cyclopropene rCH 1.088   1.096 0.008 1 6
C6H12 Cyclohexane rCH 1.101   1.109 0.008 1 7
CH3NO3 Methyl nitrate rCH 1.088   1.096 0.008 5 6
C5H6 Bicyclo[2.1.0]pent-2-ene rCC 1.560   1.568 0.008 3 5
CuH Copper monohydride rCuH 1.463   1.471 0.008 1 2
C3H6 Cyclopropane rCH 1.083   1.092 0.009 1 4
CH3CHClCH3 Propane, 2-chloro- rCH 1.091   1.100 0.009 2 5
C2H2 Acetylene rCH 1.063   1.072 0.009 1 3
C4H10O Ethoxy ethane rCH 1.100   1.109 0.009 2 6
CH3OC2H5 Ethane, methoxy- rCH 1.092 ±0.007 1.101 0.009 4 11
HCCCN Cyanoacetylene rCH 1.062 ±0.001 1.071 0.009 4 5
CH3OC2H5 Ethane, methoxy- rCH 1.100 ±0.003 1.109 0.009 3 8
CH2ClCH2Cl Ethane, 1,2-dichloro- rCC 1.531   1.540 0.009 1 2
CH3NO nitrosomethane rCH 1.092   1.101 0.009 1 5
C4H6 Cyclobutene rCH 1.094   1.103 0.009 3 7
C2H5N Aziridine rCH 1.084   1.093 0.009 3 6
C4H10O Propane, 2-methoxy- rCH 1.095   1.104 0.009 1 2
C2H2+ acetylene cation rCH 1.077 ±0.005 1.086 0.009 1 3
C5H10 2-Pentene, (Z)- rCC 1.561   1.570 0.009 1 5
C3H6O 2-Propen-1-ol rCH 1.096 ±0.030 1.105 0.009 1 5
CH3CHFCH3 2-Fluoropropane rCH 1.092   1.101 0.009 1 3
CH2F2 Methane, difluoro- rCH 1.084 ±0.003 1.094 0.010 1 2
CH3CHS Thioacetaldehyde rCH 1.090   1.100 0.010 2 5
CH3SCH2CH3 Ethane, (methylthio)- rCH 1.090   1.100 0.010 9 11
C4H5NO 3-Methylisoxazole rCC 1.514   1.523 0.010 1 8
C3H8 Propane rCH 1.096   1.106 0.010 1 4
CH3SCH2CH3 Ethane, (methylthio)- rCH 1.092   1.102 0.010 1 3
C2H5F fluoroethane rCH 1.090 ±0.007 1.100 0.010 2 7
C4H6 Cyclobutene rCH 1.083   1.093 0.010 1 5
C4H8 cyclobutane rCH 1.093   1.104 0.010 1 5
CH3OC2H5 Ethane, methoxy- rCH 1.086 ±0.010 1.097 0.011 1 5
CH3SCH2CH3 Ethane, (methylthio)- rCH 1.089   1.100 0.011 9 10
CH3CH2Cl Ethyl chloride rCH 1.086   1.097 0.011 2 7
C4H10O Ethoxy ethane rCH 1.090   1.101 0.011 4 12
CH3CHS Thioacetaldehyde rCH 1.089   1.100 0.011 1 4
CH3CCH propyne rCH 1.060   1.071 0.011 3 4
C4H8 cyclobutane rCH 1.091   1.102 0.011 1 6
CH3OCH3 Dimethyl ether rCH 1.085 ±0.001 1.096 0.011 2 4
C3H7SH 1-Propanethiol rCH 1.090   1.101 0.011 8 10
C4H5NO Isoxazole, 5-methyl- rCC 1.505   1.517 0.011 1 5
C2H2O2 Ethanedial rCC 1.526   1.537 0.011 1 2
SbH3 Stibine rSbH 1.700 ±0.000 1.711 0.011 1 2
CH3I methyl iodide rCH 1.084 ±0.003 1.096 0.012 1 3
C6H6 Fulvene rCH 1.080 ±0.005 1.092 0.012 5 11
C2H3Cl Ethene, chloro- rCH 1.079   1.091 0.012 2 5
C5H10 2-Pentene, (Z)- rCH 1.092   1.104 0.012 1 2
CHONH2 formamide rNH 1.001   1.013 0.012 3 6
ScH Scandium monohydride rScH 1.775 ±0.000 1.787 0.012 1 2
C2H5I Ethyl iodide rHC 1.093   1.105 0.012 2 6
C4H10O Ethoxy ethane rCH 1.092   1.104 0.012 4 10
C4H4N2 1,3-Diazine rCH 1.079   1.091 0.012 3 9
C3H4 cyclopropene rCH 1.072   1.084 0.012 2 4
C3H7SH 1-Propanethiol rCH 1.092   1.105 0.013 5 7
CH4 Methane rCH 1.087 ±0.001 1.100 0.013 1 2
CH2CHF Ethene, fluoro- rCH 1.077   1.090 0.013 2 5
C2H3 vinyl rCH 1.085   1.098 0.013 2 4
C2H5F fluoroethane rCH 1.091 ±0.007 1.104 0.013 2 6
CH3CH(CH3)CH3 Isobutane rCH 1.092   1.105 0.013 3 9
C6H12 Cyclohexane rCH 1.093   1.106 0.013 1 13
CH3Br methyl bromide rCH 1.082 ±0.001 1.095 0.013 1 3
C10H8 Azulene rCH 1.084   1.097 0.013 4 14
CH3CHClCH3 Propane, 2-chloro- rCH 1.092   1.105 0.013 3 6
C10H8 Azulene rCH 1.080   1.093 0.013 9 17
CH3CHO Acetaldehyde rCH 1.086   1.099 0.013 2 5
BeH2 beryllium dihydride rBeH 1.326 ±0.000 1.340 0.013 1 2
C6H6 Fulvene rCH 1.078 ±0.005 1.092 0.014 3 9
CH2NN diazomethane rCH 1.075   1.089 0.014 1 4
HF+ hydrogen fluoride cation rHF 1.014   1.028 0.014 1 2
CH3CH2Cl Ethyl chloride rCH 1.090   1.104 0.014 1 3
C5H8 Bicyclo[2.1.0]pentane rCC 1.536   1.550 0.014 1 5
MgOH magnesium hydroxide rMgO 1.767   1.781 0.014 1 2
CH3OCl methyl hypochlorite rCH 1.086 ±0.018 1.100 0.014 3 5
CHONH2 formamide rNH 1.001   1.015 0.014 3 5
SiH2Cl2 dichlorosilane rSiH 1.480 ±0.015 1.494 0.014 1 2
C4H4N2 Succinonitrile rCC 1.561   1.575 0.014 1 2
C3H6O 2-Propen-1-ol rCH 1.078 ±0.010 1.092 0.014 3 8
HCCl Chloromethylene rCH 1.119 ±0.036 1.133 0.015 1 3
CH3OC2H5 Ethane, methoxy- rCH 1.089 ±0.008 1.104 0.015 4 10
NaF sodium fluoride rNaF 1.926 ±0.000 1.941 0.016 1 2
C6H10 1-Butyne, 3,3-dimethyl- rCH 1.056 ±0.001 1.072 0.016 6 7
CH3NHCH3 Dimethylamine rCH 1.098   1.114 0.016 3 5
CH3CH2OH Ethanol rCH 1.088   1.104 0.016 1 5
CaF Calcium monofluoride rFCa 1.967 ±0.001 1.983 0.016 1 2
CH3CHFCH3 2-Fluoropropane rCH 1.088 ±0.006 1.104 0.016 4 6
NH2CONH2 Urea rNH 0.998   1.014 0.016 4 8
C10H8 Azulene rCH 1.081   1.097 0.016 1 11
CH3CH2O Ethoxy radical rCH 1.085   1.101 0.016 1 5
CH3SCH2CH3 Ethane, (methylthio)- rCH 1.087   1.103 0.016 1 2
BH3 boron trihydride rBH 1.190   1.207 0.017 1 2
CH3NHCH3 Dimethylamine rCH 1.084   1.101 0.017 3 9
CH3NH2 methyl amine rCH 1.093 ±0.000 1.110 0.017 1 3
C3H6O Propylene oxide rCC 1.513   1.530 0.017 2 6
C10H8 Azulene rCH 1.083   1.100 0.017 5 15
C6H8 (Z)-hexa-1,3,5-triene rC=C 1.368   1.385 0.017 1 2
C6H12 (E)-3-methylpent-2-ene rCC 1.551   1.568 0.017 9 12
BN boron nitride rB=N 1.325   1.343 0.018 1 2
CH3CH2O Ethoxy radical rCH 1.086   1.104 0.018 1 4
BeH beryllium monohydride rBeH 1.343   1.361 0.018 1 2
C9H8 Indene rCC 1.415 ±0.170 1.433 0.018 1 2
C3H7N Cyclopropylamine rCH 1.080   1.098 0.018 1 2
CH3CH2O Ethoxy radical rCH 1.088   1.107 0.019 2 7
CF3COOH trifluoroacetic acid rCC 1.546 ±0.005 1.565 0.019 1 2
C8H8 cyclooctatetraene rCH 1.079 ±0.001 1.099 0.019 1 9
CH3CH2OH Ethanol rCH 1.086   1.106 0.020 2 8
H2O Water rOH 0.958 ±0.000 0.978 0.021 1 2
NH Imidogen rNH 1.036   1.058 0.022 1 2
HOCl hypochlorous acid rOH 0.973 ±0.002 0.995 0.022 1 2
CH3CH(NH2)COOH Alanine rCC 1.544   1.566 0.022 3 4
C2H Ethynyl radical rCH 1.047   1.069 0.022 1 3
HClO4 perchloric acid rOH 0.980   1.003 0.023 3 6
GeH3F monofluorogermane rGeH 1.515 ±0.000 1.537 0.023 1 3
HO2 Hydroperoxy radical rOH 0.971   0.994 0.023 1 3
C4H8O2 Ethyl acetate rCC 1.508   1.531 0.023 1 2
CaOH Calcium monohydroxide rOCa 1.976 ±0.004 1.999 0.023 1 2
MgOH magnesium hydroxide rOH 0.940   0.963 0.023 1 3
SiH3F monofluorosilane rSiH 1.476   1.500 0.024 1 3
C5H9N Pentanenitrile rCC 1.478   1.502 0.024 4 6
C5H6 1-Buten-3-yne, 2-methyl- rCC 1.445   1.469 0.024 7 8
C10H8 Azulene rC:C 1.414   1.439 0.024 7 9
CH3COCl Acetyl Chloride rCC 1.506   1.531 0.025 1 2
HI Hydrogen iodide rHI 1.609 ±0.000 1.634 0.025 1 2
HOI Hypoiodous acid rOH 0.967 ±0.008 0.992 0.025 1 3
SiH3Cl chlorosilane rSiH 1.475   1.500 0.025 1 3
DO Hydroxyl-d rDO 0.970   0.995 0.025 1 2
OH Hydroxyl radical rOH 0.970   0.995 0.025 1 2
CH2CHCH2CH2Cl 1-Butene, 4-chloro- rCC 1.508   1.533 0.025 2 6
C5H8 1,3-Butadiene, 2-methyl- rCC 1.512   1.537 0.025 2 5
CH Methylidyne rCH 1.120   1.146 0.026 1 2
C3H7SH 1-Propanethiol rCC 1.529   1.555 0.026 7 10
C3H5 Allyl radical rCH 1.069   1.095 0.026 1 2
CH3NH2 methyl amine rCN 1.471 ±0.003 1.498 0.027 1 2
AsH Arsenic monohydride rAsH 1.535 ±0.001 1.562 0.027 1 2
C5H8 Cyclopentene rCC 1.518   1.545 0.027 2 4
C5H6 Bicyclo[2.1.0]pent-2-ene rCC 1.530   1.557 0.027 1 3
CH3SeH Methane selenol rSeH 1.473 ±0.020 1.501 0.028 1 3
C5H5N Pyridine rC:C 1.400   1.428 0.028 2 5
SiH2F2 difluorosilane rSiH 1.462   1.489 0.028 1 4
SiH4 Silane rSiH 1.480 ±0.000 1.508 0.028 1 2
SiHCl3 Trichlorosilane rSiH 1.464   1.492 0.028 1 2
DF Hydrofluoric acid-d rDF 0.917 ±0.000 0.945 0.028 1 2
C6H6 Fulvene rC=C 1.349 ±0.002 1.376 0.028 1 2
C4H4N2 Pyridazine rCH 1.064   1.092 0.028 1 5
C4H8O2 Ethyl acetate rCC 1.515   1.543 0.028 5 6
HF Hydrogen fluoride rHF 0.917 ±0.000 0.945 0.028 1 2
C3H5ClO Oxirane, (chloromethyl)- rCC 1.475   1.504 0.029 3 4
C4H10O Ethoxy ethane rCC 1.517   1.546 0.029 2 4
CH2I2 Diiodomethane rCH 1.066 ±0.015 1.095 0.029 1 4
N(CH3)3 Trimethylamine rCH 1.088   1.117 0.029 2 5
C7H16 heptane rCC 1.534   1.563 0.029 1 2
C5H8O Methyl cyclopropyl ketone rCC 1.510   1.539 0.029 2 3
B2H6 Diborane rBH 1.320   1.349 0.029 1 3
C5H5N Bicyclo[1.1.0]butane-1-carbonitrile rCC 1.518   1.548 0.030 3 7
CH2CCHCH3 1,2-Butadiene rC=C 1.314   1.344 0.030 1 2
CH3CH2CHO Propanal rCC 1.509   1.539 0.030 2 3
HSe Selenium monohydride rSeH 1.475 ±0.010 1.506 0.031 1 2
AsH3 Arsine rAsH 1.511 ±0.000 1.542 0.031 1 2
C5H8 Ethenylcyclopropane rCC 1.475   1.506 0.031 1 2
C5H5N Bicyclo[1.1.0]butane-1-carbonitrile rCC 1.514   1.546 0.032 3 9
CH2CHCH2CH3 1-Butene rCC 1.536   1.568 0.032 1 2
C6H5OCH3 Anisole rCO 1.399   1.431 0.032 1 7
CH3CH2CH2CH3 Butane rCC 1.531   1.563 0.032 1 2
C3F6 hexafluoropropene rC=C 1.329 ±0.003 1.362 0.033 1 2
C4H5N Cyclopropanecarbonitrile rCC 1.513   1.546 0.033 9 10
C10H8 Azulene rC:C 1.398   1.431 0.033 1 3
H2Cl+ dihydrogen monochloride cation rHCl 1.321 ±0.000 1.354 0.033 1 2
BH Boron monohydride rBH 1.232   1.265 0.033 1 2
C6H6 Fulvene rCC 1.476 ±0.008 1.509 0.033 5 6
HOBr Hypobromous acid rOH 0.961   0.994 0.033 1 2
C10H8 Azulene rC:C 1.405 ±0.001 1.439 0.034 2 9
C8H8 cyclooctatetraene rCC 1.470 ±0.001 1.505 0.035 1 5
HBr+ hydrogen bromide cation rHBr 1.448   1.483 0.035 1 2
C4H5N (E)-2-Butenenitrile rCC 1.432   1.467 0.035 8 10
MgH+ magnesium monohydride cation rMgH 1.652   1.687 0.035 1 2
C4H4N2 Succinonitrile rCC 1.465   1.500 0.035 1 3
C6H6 Fulvene rC=C 1.355 ±0.004 1.391 0.036 3 5
SiH3+ Silyl cation rSiH 1.460 ±0.010 1.496 0.036 1 2
CH3CH2CHO Propanal rCC 1.523   1.559 0.036 1 2
C6H6 Fulvene rCC 1.470 ±0.004 1.506 0.036 1 3
CaOH Calcium monohydroxide rOH 0.930 ±0.007 0.966 0.036 2 3
BO boron monoxide rB=O 1.205   1.241 0.036 1 2
C5H8 Cyclobutane, methylene- rCC 1.524   1.560 0.036 1 3
C2H5F fluoroethane rCC 1.505 ±0.007 1.541 0.036 1 2
C4H4N2 1,3-Diazine rC:N 1.350   1.387 0.037 3 5
HS+ sulfur monohydride cation rSH 1.374   1.411 0.037 1 2
H2Te Hydrogen Telluride rHTe 1.651 ±0.000 1.688 0.037 1 2
OH- hydroxide anion rOH 0.964   1.001 0.037 1 2
C6H10 1-Butyne, 3,3-dimethyl- rC#C 1.209 ±0.001 1.246 0.037 1 6
HSiCl Chlorosilylene rSiH 1.525 ±0.005 1.563 0.038 1 3
HNCNH diiminomethane rC=N 1.224 ±0.001 1.262 0.038 1 2
H2Se Hydrogen selenide rSeH 1.460   1.498 0.038 1 2
C5H5N Pyridine rC:C 1.390   1.428 0.038 3 5
C2H2+ acetylene cation rC=C 1.253 ±0.001 1.291 0.038 1 2
C5H8O 2H-Pyran, 3,4-dihydro- rCC 1.516   1.554 0.038 10 13
C5H8 1,3-Butadiene, 2-methyl- rCC 1.463   1.501 0.038 2 3
MgH magnesium monohydride rMgH 1.730   1.768 0.038 1 2
C4H6O Cyclobutanone rCC 1.556   1.595 0.039 3 5
C10H8 naphthalene rC:C 1.410   1.450 0.040 2 3
GaF Gallium monofluoride rFGa 1.774 ±0.000 1.814 0.040 1 2
C6H8 (Z)-hexa-1,3,5-triene rC=C 1.337   1.377 0.040 3 5
TeH Telluryl radical rHTe 1.656 ±0.000 1.696 0.040 1 2
C5H10 2-Pentene, (Z)- rCH 1.058   1.099 0.041 12 13
C2H2 Acetylene rC#C 1.203   1.243 0.041 1 2
GaBr Gallium monobromide rGaBr 2.352 ±0.000 2.393 0.041 1 2
CH3NC methyl isocyanide rCN 1.426 ±0.003 1.467 0.041 1 2
C8H8 cyclooctatetraene rC=C 1.337 ±0.001 1.378 0.041 1 2
CH2CHCH2CH3 1-Butene rCC 1.493   1.534 0.041 2 3
CuF Copper monofluoride rCuF 1.745 ±0.000 1.786 0.041 1 2
P2H4 Diphosphine rPH 1.414   1.456 0.042 1 4
HBr hydrogen bromide rHBr 1.414 ±0.000 1.456 0.042 1 2
He2+ helium diatomic cation rHeHe 1.081 ±0.001 1.123 0.042 1 2
P2H4 Diphosphine rPH 1.417   1.459 0.042 1 3
C5H7N Cyclobutanecarbonitrile rCC 1.551   1.594 0.043 3 6
C4H6O Cyclobutanone rCC 1.527   1.570 0.043 2 3
CH2NN diazomethane rN=N 1.139   1.182 0.043 2 3
SCSe Carbon sulfide selenide rC=Se 1.695 ±0.002 1.738 0.043 1 3
C5H8 Bicyclo[2.1.0]pentane rCC 1.528   1.571 0.043 1 3
C10H8 Azulene rC:C 1.377   1.420 0.043 5 7
OCSe Carbonyl selenide rC=Se 1.709   1.752 0.043 1 3
TeO Tellurium monoxide rO=Te 1.825   1.869 0.044 1 2
C4H6 Cyclobutene rCC 1.517   1.561 0.044 1 3
N3 azide radical rNN 1.181   1.225 0.044 1 2
NH2SH Thiohydroxylamine rSH 1.344 ±0.029 1.388 0.044 2 3
C5H8 Bicyclo[2.1.0]pentane rCC 1.565   1.609 0.044 3 4
KrH+ Protonated Krypton rHKr 1.421 ±0.000 1.467 0.046 1 2
C5H10 2-Pentene, (Z)- rCC 1.490   1.536 0.046 8 14
C3O2 Carbon suboxide rC=C 1.251   1.300 0.049 1 2
C3H3NO Oxazole rCO 1.357 ±0.003 1.407 0.050 1 2
CBrClF2 Methane, bromochlorodifluoro- rCBr 1.932 ±0.004 1.982 0.050 1 2
CH3NC methyl isocyanide rC#N 1.166 ±0.003 1.216 0.050 2 3
GeH germylidene rGeH 1.588   1.638 0.050 1 2
CH3COCl Acetyl Chloride rC=O 1.187   1.238 0.051 1 3
C6H5OCH3 Anisole rCO 1.433   1.484 0.051 7 8
C3H3NO Oxazole rCO 1.370 ±0.002 1.421 0.051 1 5
GaAs Gallium arsenide rGa#As 2.530 ±0.020 2.581 0.051 1 2
HCl+ hydrogen chloride cation rHCl 1.315   1.366 0.052 1 2
CH3CH(NH2)COOH Alanine rCC 1.509   1.561 0.052 2 3
ArH+ Argon hydride cation rArH 1.292 ±0.000 1.344 0.052 1 2
PH phosphorus monohydride rPH 1.422   1.474 0.052 1 2
BF3 Borane, trifluoro- rBF 1.307   1.359 0.052 1 2
NS Mononitrogen monosulfide rNS 1.497 ±0.000 1.550 0.053 1 2
C3H6 Cyclopropane rCC 1.501   1.554 0.053 1 2
C3F6 hexafluoropropene rCF 1.329 ±0.003 1.382 0.053 1 4
C5H8O Cyclopentanone rCC 1.504   1.557 0.053 2 3
DCl Hydrochloric acid-d rDCl 1.275 ±0.000 1.328 0.053 1 2
HCl Hydrogen chloride rHCl 1.275 ±0.000 1.328 0.053 1 2
C3H4O Cyclopropanone rCC 1.575   1.629 0.054 3 4
HO2 Hydroperoxy radical rOO 1.331   1.384 0.054 1 2
HS Mercapto radical rSH 1.341   1.395 0.054 1 2
DS Mercapto-d rSD 1.341   1.395 0.054 1 2
ICN Cyanogen iodide rCI 1.992 ±0.000 2.046 0.054 1 2
LiCl lithium chloride rLiCl 2.021 ±0.000 2.075 0.054 1 2
C10H8 Azulene rC:C 1.484   1.538 0.054 7 8
C4H6 Methylenecyclopropane rCC 1.457   1.511 0.054 2 5
SiH+ silicon monohydride cation rSiH 1.504   1.559 0.055 1 2
CCl2O Phosgene rC=O 1.177   1.232 0.055 1 2
CSe2 Carbon diselenide rC=Se 1.692 ±0.000 1.747 0.055 1 2
C4H4N2 1,3-Diazine rC:N 1.328   1.383 0.055 2 6
BeF Beryllium monofluoride rBeF 1.361   1.416 0.055 1 2
H2CSe Selenoformaldehyde rC=Se 1.753   1.809 0.056 1 2
C5H10 2-Pentene, (E)- rCC 1.484   1.540 0.056 4 11
CH3I methyl iodide rCI 2.136 ±0.002 2.192 0.056 1 2
SiH Silylidyne rSiH 1.520   1.577 0.056 1 2
C2 Carbon diatomic rC=C 1.243   1.300 0.057 1 2
C3H8O2 Methane, dimethoxy- rCO 1.432   1.489 0.057 4 6
CH2CO Ketene rC=O 1.162   1.220 0.058 2 3
BeO beryllium oxide rBe=O 1.331   1.389 0.058 1 2
ClCN chlorocyanogen rC#N 1.161   1.220 0.060 2 3
B2 Boron diatomic rBB 1.590   1.650 0.060 1 2
Si(CH3)4 tetramethylsilane rSiC 1.875 ±0.002 1.935 0.060 1 2
OCSe Carbonyl selenide rC=O 1.159   1.219 0.060 1 2
ICN Cyanogen iodide rC#N 1.160 ±0.000 1.221 0.060 2 3
C5H6 Propellane rCC 1.525 ±0.002 1.586 0.061 1 2
COBr2 Carbonic dibromide rC=O 1.172 ±0.003 1.233 0.061 1 2
BeS beryllium sulfide rBe=S 1.742   1.803 0.061 1 2
TiCl Titanium Monochloride rClTi 2.265 ±0.000 2.326 0.061 1 2
AlH aluminum monohydride rAlH 1.648   1.709 0.061 1 2
CF3COOH trifluoroacetic acid rC=O 1.192 ±0.003 1.254 0.062 2 4
CO Carbon monoxide rC#O 1.128 ±0.000 1.190 0.062 1 2
HS- mercapto anion rSH 1.343   1.406 0.063 1 2
C4H8O2 Ethyl acetate rC=O 1.203   1.266 0.063 2 4
HNCO Isocyanic acid rC=O 1.164   1.228 0.064 3 4
CN- cyanide anion rC#N 1.177 ±0.004 1.241 0.064 1 2
CH3OC2H5 Ethane, methoxy- rCO 1.415 ±0.005 1.479 0.064 1 2
C5H12O Butane, 1-methoxy- rCO 1.415   1.480 0.065 3 4
LiI Lithium Iodide rLiI 2.392 ±0.000 2.457 0.065 1 2
Cu2 Copper diatomic rCuCu 2.220   2.286 0.067 1 2
CH3OCHO methyl formate rCO 1.334   1.401 0.067 2 3
CH3OCH3 Dimethyl ether rCO 1.411 ±0.001 1.478 0.067 1 2
CH3OCHO methyl formate rCO 1.437   1.504 0.067 1 2
N2O3 Dinitrogen trioxide rN=O 1.217   1.286 0.069 2 5
CH3ONO Methyl nitrite rCO 1.437   1.506 0.069 1 2
AlS Aluminum sulfide rAlS 2.029   2.098 0.069 1 2
C4H8O2 Ethyl acetate rCO 1.345   1.414 0.069 2 3
LiBr Lithium Bromide rLiBr 2.170 ±0.000 2.240 0.070 1 2
CP Carbon monophosphide rC#P 1.562   1.633 0.070 1 2
KF Potassium Fluoride rKF 2.171 ±0.000 2.242 0.071 1 2
CH2NN diazomethane rC=N 1.300   1.371 0.071 1 2
GeO Germanium monoxide rOGe 1.625   1.696 0.071 1 2
FNO2 Nitryl fluoride rN=O 1.180 ±0.005 1.252 0.072 1 3
BS boron sulfide rBS 1.609   1.681 0.072 1 2
C2HF3 Trifluoroethylene rCF 1.316 ±0.011 1.388 0.072 1 3
CH2C(CH3)OCH3 1-Propene, 2-methoxy- rCO 1.416   1.489 0.073 1 5
GeH3F monofluorogermane rGeF 1.731 ±0.000 1.805 0.074 1 2
BeCl beryllium monochloride rBeCl 1.797   1.871 0.074 1 2
CuO Copper Monoxide rCuO 1.724 ±0.000 1.799 0.075 1 2
CHF2Cl difluorochloromethane rCF 1.350 ±0.010 1.425 0.075 1 4
C4H10O Ethoxy ethane rCO 1.411   1.487 0.076 1 2
C5H8 Bicyclo[2.1.0]pentane rCC 1.507   1.583 0.076 1 2
NH2F monofluoroamine rNF 1.433   1.509 0.076 1 2
CH3CSNH2 Ethanethioamide rC=S 1.647 ±0.002 1.724 0.077 1 2
C3O2 Carbon suboxide rC=O 1.146   1.223 0.077 2 4
CSe Carbon monoselenide rC=Se 1.676 ±0.000 1.755 0.079 1 2
CH3OC2H5 Ethane, methoxy- rCO 1.407 ±0.004 1.486 0.079 2 3
C4H8O2 1,3-Dioxane rCO 1.393   1.472 0.079 1 2
CuCl Copper monochloride rCuCl 2.051 ±0.000 2.131 0.080 1 2
CH2Br2 dibromomethane rCBr 1.925 ±0.002 2.005 0.080 1 4
CH2FCl fluorochloromethane rCF 1.370 ±0.001 1.450 0.080 1 2
BrO Bromine monoxide rOBr 1.718   1.798 0.080 1 2
BF Boron monofluoride rBF 1.267 ±0.000 1.347 0.080 1 2
C4H10O Propane, 2-methoxy- rCO 1.422   1.503 0.081 5 14
CH3ONO Methyl nitrite rNO 1.398   1.479 0.081 2 6
CH3Br methyl bromide rCBr 1.934 ±0.000 2.016 0.082 1 2
SeO Selenium monoxide rSeO 1.639 ±0.001 1.721 0.082 1 2
SCSe Carbon sulfide selenide rC=S 1.553 ±0.002 1.636 0.083 1 2
CHF3 Methane, trifluoro- rCF 1.328 ±0.003 1.411 0.083 1 3
H2CS Thioformaldehyde rC=S 1.611   1.694 0.083 1 2
C3H8O2 Methane, dimethoxy- rCO 1.382   1.465 0.083 1 4
F2 Fluorine diatomic rFF 1.412   1.496 0.084 1 2
AsF5 Arsenic pentafluoride rAsF 1.711 ±0.005 1.795 0.084 1 5
CI4 tetraiodomethane rCI 2.157 ±0.010 2.241 0.084 1 2
N2 Nitrogen diatomic rN#N 1.098   1.182 0.084 1 2
CBr4 Carbon tetrabromide rCBr 1.942 ±0.002 2.026 0.084 1 2
CHBr3 bromoform rCBr 1.924 ±0.005 2.009 0.085 1 3
NaCl Sodium Chloride rNaCl 2.361 ±0.000 2.446 0.085 1 2
IO Iodine monoxide rIO 1.868 ±0.004 1.953 0.085 1 2
AlNC Aluminum isocyanide rAlN 1.855 ±0.005 1.940 0.085 1 2
MgS magnesium sulfide rMgS 2.143   2.229 0.086 1 2
NO- nitric oxide anion rN=O 1.258 ±0.010 1.344 0.086 1 2
NF nitrogen fluoride rNF 1.317   1.404 0.087 1 2
CH3NO3 Methyl nitrate rNO 1.402   1.489 0.087 1 4
C4H6 Bicyclo[1.1.0]butane rCC 1.497   1.584 0.087 1 2
CH2F2 Methane, difluoro- rCF 1.351 ±0.001 1.439 0.088 1 4
CFCl3 Trichloromonofluoromethane rCCl 1.764 ±0.001 1.852 0.088 1 3
HNO3 Nitric acid rNO 1.406   1.495 0.089 1 2
C2H5F fluoroethane rCF 1.398 ±0.007 1.487 0.089 1 3
SiC silicon monocarbide rCSi 1.722   1.811 0.089 1 2
N2O3 Dinitrogen trioxide rN=O 1.202   1.291 0.089 2 4
CHF2Cl difluorochloromethane rCCl 1.747 ±0.010 1.837 0.090 1 3
GeF+ Germanium monofluoride cation rFGe 1.665 ±0.000 1.757 0.092 1 2
NSe Nitrogen monoselenide rN=Se 1.652   1.744 0.092 1 2
CH2C(CH3)OCH3 1-Propene, 2-methoxy- rCO 1.353   1.447 0.094 5 10
GeF Germanium monofluoride rFGe 1.745   1.839 0.094 1 2
CFCl3 Trichloromonofluoromethane rCF 1.345 ±0.003 1.439 0.094 1 2
CH2O2 Dioxirane rCO 1.388 ±0.004 1.482 0.095 1 4
CS carbon monosulfide rC#S 1.535   1.630 0.095 1 2
CH3ONO Methyl nitrite rN=O 1.182   1.277 0.095 6 7
C4H8O2 Ethyl acetate rCO 1.448   1.543 0.095 5 6
ClO Monochlorine monoxide rClO 1.596 ±0.001 1.692 0.096 1 2
CH2FCl fluorochloromethane rCCl 1.762 ±0.000 1.859 0.097 1 3
CHClCCl2 Trichloroethylene rCCl 1.712   1.810 0.098 2 6
HOI Hypoiodous acid rOI 1.994 ±0.000 2.093 0.099 1 2
CH3SCH2CH3 Ethane, (methylthio)- rCS 1.804   1.903 0.099 8 9
CH2Cl2 Methylene chloride rCCl 1.767 ±0.002 1.867 0.100 1 4
CHClCCl2 Trichloroethylene rCCl 1.720   1.824 0.104 2 5
CF Fluoromethylidyne rCF 1.276   1.381 0.105 1 2
F2O Difluorine monoxide rFO 1.405   1.511 0.106 1 2
AlC Aluminum carbide rC=Al 1.955   2.062 0.107 1 2
CH3SCH2CH3 Ethane, (methylthio)- rCS 1.804   1.911 0.107 5 8
CH2ClCH2Cl Ethane, 1,2-dichloro- rCCl 1.790   1.898 0.108 1 3
ClCN chlorocyanogen rCCl 1.629   1.737 0.108 1 2
NO+ nitric oxide cation rN=O 1.066   1.174 0.108 1 2
NaBr Sodium Bromide rNaBr 2.502 ±0.000 2.610 0.108 1 2
Li2 Lithium diatomic rLiLi 2.673   2.782 0.109 1 2
NaLi lithium sodium rLiNa 2.889   2.999 0.110 1 2
AsF3 Arsenic trifluoride rAsF 1.706 ±0.002 1.817 0.111 1 2
AlF Aluminum monofluoride rAlF 1.654 ±0.000 1.768 0.114 1 2
N2O3 Dinitrogen trioxide rN=O 1.142   1.257 0.115 1 3
SO+ sulfur monoxide cation rO=S 1.424   1.539 0.115 1 2
IF Iodine monofluoride rFI 1.910   2.025 0.115 1 2
SiF4 Silicon tetrafluoride rSiF 1.554   1.670 0.116 1 2
CCl2O Phosgene rCCl 1.737   1.853 0.116 2 3
SiO Silicon monoxide rSiO 1.510 ±0.000 1.627 0.117 1 2
AlN Aluminum nitride rN#Al 1.786   1.904 0.118 1 2
AsF Arsenic monofluoride rFAs 1.736 ±0.001 1.856 0.120 1 2
BCl boron monochloride rBCl 1.719 ±0.000 1.839 0.120 1 2
GeS Germanium monosulfide rS=Ge 2.012 ±0.000 2.132 0.120 1 2
SOCl2 thionyl chloride rS=O 1.443 ±0.006 1.564 0.121 1 2
C2H6O2S Dimethyl sulfone rCS 1.777 ±0.006 1.901 0.124 1 4
HOBr Hypobromous acid rBrO 1.834   1.959 0.125 2 3
CH2O2 Dioxirane rOO 1.516 ±0.003 1.641 0.125 4 5
AsF5 Arsenic pentafluoride rAsF 1.656 ±0.004 1.782 0.126 1 2
SeO2 Selenium dioxide rSeO 1.607 ±0.001 1.736 0.129 1 2
C2Cl2 dichloroacetylene rCCl 1.612 ±0.030 1.741 0.129 1 3
SiI4 silicon tetraiodide rSiI 2.432 ±0.005 2.562 0.130 1 2
F2SO Thionyl Fluoride rO=S 1.413 ±0.000 1.546 0.133 1 2
CH3COCl Acetyl Chloride rCCl 1.798   1.932 0.134 1 4
MgCl magnesium monochloride rMgCl 2.199   2.334 0.135 1 2
PO2 Phosphorus dioxide rP=O 1.467   1.604 0.137 1 2
O2 Oxygen diatomic rO=O 1.208   1.345 0.137 1 2
C5H6 Propellane rCC 1.596 ±0.005 1.735 0.139 2 5
BrF Bromine monofluoride rFBr 1.759 ±0.000 1.898 0.139 1 2
SiH3F monofluorosilane rSiF 1.595   1.738 0.143 1 2
HCCl Chloromethylene rCCl 1.696 ±0.003 1.840 0.144 1 2
SiS silicon monosulfide rSiS 1.929 ±0.000 2.074 0.145 1 2
OPCl Phosphorus oxychloride rP=O 1.462 ±0.011 1.610 0.148 1 2
PF5 Phosphorus pentafluoride rFP 1.577   1.725 0.148 1 5
NCl nitrogen monochloride rNCl 1.611 ±0.000 1.760 0.149 1 2
SiF2 Silicon difluoride rFSi 1.590 ±0.000 1.740 0.150 1 2
CCl2 dichloromethylene rCCl 1.711   1.863 0.151 1 2
BrF3 Bromine trifluoride rFBr 1.810 ±0.000 1.962 0.152 1 3
SO Sulfur monoxide rS=O 1.481   1.633 0.152 1 2
CFCl chlorofluoromethylene rCCl 1.714   1.867 0.153 1 3
HOCl hypochlorous acid rClO 1.697 ±0.001 1.852 0.155 1 3
CaO Calcium monoxide rOCa 1.822   1.977 0.155 1 2
SF Monosulfur monofluoride rSF 1.599   1.756 0.156 1 2
SiF silicon monofluoride rSiF 1.604   1.763 0.158 1 2
PN Phosphorus mononitride rP#N 1.491   1.653 0.163 1 2
CCl carbon monochloride rCCl 1.649   1.812 0.163 1 2
XeF2 Xenon difluoride rFXe 1.974 ±0.000 2.138 0.164 1 2
SiP Silicon monophosphide rSiP 2.078 ±0.002 2.241 0.164 1 2
SiBr+ Silicon monobromide cation rSiBr 2.095 ±0.000 2.261 0.166 1 2
FO Oxygen monofluoride rFO 1.354   1.521 0.167 1 2
AlI Aluminum monoiodide rAlI 2.537 ±0.000 2.705 0.167 1 2
Si2 Silicon diatomic rSiSi 2.246   2.413 0.167 1 2
BrF3 Bromine trifluoride rFBr 1.721   1.889 0.168 1 2
SiH2Cl2 dichlorosilane rSiCl 2.033 ±0.003 2.201 0.168 1 4
CaH Calcium monohydride rCaH 2.003 ±0.000 2.171 0.169 1 2
SiHCl3 Trichlorosilane rSiCl 2.020   2.189 0.169 1 3
GeCl Germanium monochloride rClGe 2.164 ±0.000 2.334 0.170 1 2
I2 Iodine diatomic rII 2.665   2.836 0.170 1 2
SiH3Cl chlorosilane rSiCl 2.051   2.221 0.171 1 2
PF5 Phosphorus pentafluoride rPF 1.534   1.707 0.173 1 2
IBr Iodine monobromide rBrI 2.469 ±0.000 2.644 0.175 1 2
PO- phosphorus monoxide anion rOP 1.540   1.716 0.176 1 2
PF2 Phosphorus difluoride rPF 1.579   1.756 0.177 1 2
BrF5 bromine pentafluoride rFBr 1.774 ±0.003 1.952 0.178 1 3
PF+ phosphorus monofluoride cation rFP 1.500   1.679 0.179 1 2
PF phosphorus monofluoride rFP 1.593   1.773 0.181 1 2
As2 Arsenic diatomic rAs#As 2.103   2.283 0.181 1 2
AlBr Aluminum monobromide rAlBr 2.295   2.476 0.181 1 2
SeCl2 Selenium Dichloride rClSe 2.157 ±0.003 2.338 0.181 1 2
Br2 Bromine diatomic rBrBr 2.281   2.464 0.183 1 2
ICl Iodine monochloride rClI 2.321 ±0.000 2.506 0.185 1 2
Se2 Selenium diatomic rSe=Se 2.166 ±0.001 2.351 0.185 1 2
SCl sulfur monochloride rSCl 1.975   2.161 0.185 1 2
AlCl Aluminum monochloride rAlCl 2.130 ±0.000 2.320 0.190 1 2
As4 Arsenic tetramer rAsAs 2.435   2.625 0.190 1 2
FNO2 Nitryl fluoride rNF 1.467 ±0.015 1.658 0.191 1 2
SF4 Sulfur tetrafluoride rSF 1.646 ±0.003 1.838 0.192 1 2
NS+ nitrogen sulfide cation rNS 1.440   1.633 0.193 1 2
CaC Calcium monocarbide rC#Ca 2.302   2.496 0.194 1 2
SSO Disulfur monoxide rS=O 1.456   1.656 0.200 1 2
BrCl Bromine monochloride rClBr 2.136 ±0.000 2.336 0.200 1 2
PS phosphorus sulfide rP=S 1.900   2.102 0.202 1 2
P2 Phosphorus diatomic rP#P 1.893   2.096 0.203 1 2
HSiCl Chlorosilylene rSiCl 2.067 ±0.003 2.271 0.204 1 2
SiCl Clorosilylidyne rSiCl 2.061 ±0.000 2.272 0.211 1 2
KH Potassium hydride rKH 2.243 ±0.001 2.459 0.217 1 2
PCl phosphorus chloride rPCl 2.018   2.235 0.218 1 2
HSSSH trisulfane rSS 2.054 ±0.000 2.273 0.219 1 2
C2H6O2S Dimethyl sulfone rS=O 1.431 ±0.004 1.653 0.222 1 2
SF4 Sulfur tetrafluoride rSF 1.545 ±0.003 1.767 0.222 1 4
CaCl calcium monochloride rClCa 2.437   2.662 0.225 1 2
BrF5 bromine pentafluoride rFBr 1.689 ±0.008 1.914 0.225 1 2
SOF4 Sulfur tetrafluoride oxide rFS 1.596 ±0.003 1.822 0.226 1 3
PCl5 Phosphorus pentachloride rPCl 2.124   2.352 0.228 1 5
XeF4 Xenon tetrafluoride rFXe 1.935 ±0.000 2.164 0.229 1 2
HClO4 perchloric acid rO=Cl 1.414 ±0.001 1.644 0.230 1 2
Cl2 Chlorine diatomic rClCl 1.988   2.219 0.231 1 2
SCl2 Sulfur dichloride rSCl 2.013 ±0.001 2.245 0.232 1 2
KCl Potassium Chloride rKCl 2.667 ±0.000 2.903 0.236 1 2
PCl5 Phosphorus pentachloride rPCl 2.020   2.256 0.236 1 2
S2 Sulfur diatomic rS=S 1.889   2.127 0.238 1 2
ClFO3 Perchloryl fluoride rCl=O 1.400   1.639 0.239 2 3
SSO Disulfur monoxide rS=S 1.884   2.129 0.245 2 3
CaBr Calcium monobromide rCaBr 2.594 ±0.000 2.844 0.251 1 2
HClO4 perchloric acid rO=Cl 1.404 ±0.001 1.663 0.259 1 4
OPCl Phosphorus oxychloride rPCl 2.059 ±0.004 2.326 0.268 1 3
F2SO Thionyl Fluoride rFS 1.585 ±0.000 1.863 0.278 1 3
SOF4 Sulfur tetrafluoride oxide rFS 1.539 ±0.003 1.826 0.287 1 5
Cl2+ chlorine diatomic cation rClCl 1.892   2.190 0.298 1 2
S2+ sulfur diatomic cation rS=S 1.825 ±0.010 2.163 0.338 1 2
HClO4 perchloric acid rOCl 1.641 ±0.002 1.997 0.356 1 3
C4H10O Methyl propyl ether rCH 1.099   1.480 0.381 1 2
Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- rAlCl 2.040 ±0.040 2.432 0.392 1 3
ClFO3 Perchloryl fluoride rFCl 1.598   2.241 0.643 1 2
576 molecules.