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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 B3PW91/6-31G

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
Cu2 Copper diatomic rCuCu 2.220   2.025 -0.195 1 2
CuO Copper Monoxide rCuO 1.724 ±0.000 1.648 -0.076 1 2
LiO lithium oxide rLiO 1.688   1.616 -0.072 1 2
CuF Copper monofluoride rCuF 1.745 ±0.000 1.687 -0.057 1 2
C5H10 2-Pentene, (E)- rCC 1.576   1.530 -0.046 11 15
C6H6 Fulvene rCH 1.130 ±0.030 1.086 -0.044 2 7
CuH Copper monohydride rCuH 1.463   1.419 -0.043 1 2
C2Cl2 dichloroacetylene rC#C 1.246 ±0.030 1.206 -0.040 1 2
C4H5N Cyclopropanecarbonitrile rCC 1.472   1.434 -0.038 6 8
C5H8O Methyl cyclopropyl ketone rCH 1.126   1.091 -0.035 3 7
C5H6 Bicyclo[2.1.0]pent-2-ene rCC 1.560   1.529 -0.031 3 5
C2H2O2 Ethanedial rCH 1.132   1.101 -0.031 1 3
CH2ClCH2Cl Ethane, 1,2-dichloro- rCC 1.531   1.507 -0.024 1 2
C5H8 Bicyclo[2.1.0]pentane rCC 1.536   1.512 -0.024 1 5
CH2ClCH2Cl Ethane, 1,2-dichloro- rCH 1.112   1.089 -0.023 1 5
C4H5NO Isoxazole, 5-methyl- rCC 1.505   1.482 -0.023 1 5
C4H5NO 3-Methylisoxazole rCC 1.514   1.491 -0.023 1 8
C2H2O2 Ethanedial rCC 1.526   1.504 -0.022 1 2
C5H10 2-Pentene, (Z)- rCC 1.561   1.539 -0.022 1 5
CF3COOH trifluoroacetic acid rCC 1.546 ±0.005 1.525 -0.021 1 2
C7H16 heptane rCH 1.121 ±0.007 1.101 -0.020 1 8
Si(CH3)4 tetramethylsilane rCH 1.115 ±7.000 1.096 -0.019 2 6
ScH Scandium monohydride rScH 1.775 ±0.000 1.757 -0.019 1 2
C5H9N Pentanenitrile rCC 1.478   1.460 -0.018 4 6
CH3NH2 methyl amine rCN 1.471 ±0.003 1.453 -0.018 1 2
CH3CH2CH2CH3 Butane rCH 1.117   1.100 -0.017 1 5
CH3COCl Acetyl Chloride rCC 1.506   1.489 -0.017 1 2
CH3OCl methyl hypochlorite rCH 1.111 ±0.018 1.095 -0.016 3 4
C4H8O2 Ethyl acetate rCH 1.105   1.090 -0.015 1 7
C9H8 Indene rCC 1.415 ±0.170 1.400 -0.015 1 2
C6H8 (Z)-hexa-1,3,5-triene rCH 1.104   1.089 -0.015 1 7
N(CH3)3 Trimethylamine rCH 1.109   1.095 -0.014 2 8
CH3COCl Acetyl Chloride rCH 1.105   1.092 -0.013 2 5
C5H6 1-Buten-3-yne, 2-methyl- rCC 1.445   1.432 -0.013 7 8
C3H6O Propylene oxide rCC 1.513   1.501 -0.012 2 6
NH3BF3 Amminetrifluoroboron rBN 1.673   1.661 -0.012 1 2
C6H12 (E)-3-methylpent-2-ene rCC 1.551   1.539 -0.012 9 12
C5H8 Ethenylcyclopropane rCH 1.099   1.087 -0.012 1 6
C6H5OCH3 Anisole rCO 1.399   1.388 -0.011 1 7
C4H5N Cyclopropanecarbonitrile rCC 1.513   1.502 -0.011 9 10
B2H6 Diborane rBH 1.200   1.190 -0.010 1 5
C4H4N2 Succinonitrile rCC 1.561   1.551 -0.010 1 2
C6H8 (Z)-hexa-1,3,5-triene rC=C 1.368   1.359 -0.009 1 2
LiOH lithium hydroxide rOH 0.969   0.960 -0.009 1 3
C4H8O2 Ethyl acetate rCC 1.508   1.499 -0.009 1 2
CH3ONO Methyl nitrite rCH 1.102   1.093 -0.009 1 4
C4H5N (E)-2-Butenenitrile rCC 1.432   1.423 -0.009 8 10
CH3CH2CHO Propanal rCH 1.103   1.094 -0.009 1 6
CH3OCHO methyl formate rCH 1.101   1.092 -0.009 3 8
C5H5N Bicyclo[1.1.0]butane-1-carbonitrile rCC 1.514   1.505 -0.009 3 9
CH3NH2 methyl amine rNH 1.018 ±0.001 1.010 -0.009 2 6
C2H3Cl Ethene, chloro- rCH 1.090   1.082 -0.008 1 4
HeH+ Helium hydride cation rHHe 0.790   0.782 -0.008 1 2
C8H8 cubane rCH 1.097   1.089 -0.008 1 9
CH3CH2CHO Propanal rCH 1.115   1.107 -0.008 3 10
CH3CHO Acetaldehyde rCH 1.114   1.106 -0.008 1 4
C4H4N2 Succinonitrile rCC 1.465   1.458 -0.007 1 3
C3H8O2 1,3-Propanediol rOH 0.980   0.974 -0.006 6 8
CH2NN diazomethane rC=N 1.300   1.294 -0.006 1 2
CH2NH Methanimine rCH 1.103   1.097 -0.006 1 3
CH3NC methyl isocyanide rCN 1.426 ±0.003 1.420 -0.006 1 2
C5H8 Cyclopentene rCC 1.518   1.513 -0.005 2 4
C3H4N2 1H-Pyrazole rCH 1.083   1.078 -0.005 5 6
CH3CH2CHO Propanal rCC 1.509   1.504 -0.005 2 3
C10H8 Azulene rC:C 1.414   1.409 -0.005 7 9
CHF3 Methane, trifluoro- rCH 1.091 ±0.014 1.086 -0.005 1 2
CH2O2 Dioxirane rCH 1.090 ±0.002 1.086 -0.004 1 2
C3H4N2 1H-Pyrazole rCH 1.082   1.078 -0.004 1 2
C5H8 1,3-Butadiene, 2-methyl- rCC 1.512   1.508 -0.004 2 5
NaF sodium fluoride rNaF 1.926 ±0.000 1.922 -0.004 1 2
CH3NO3 Methyl nitrate rCH 1.095   1.091 -0.004 5 8
CH2PH Phosphaethene rCH 1.090 ±0.015 1.086 -0.004 1 3
CH2C(CH3)OCH3 1-Propene, 2-methoxy- rCH 1.087   1.083 -0.004 11 12
CH2CHCH2CH2Cl 1-Butene, 4-chloro- rCC 1.508   1.504 -0.004 2 6
CH3CH2OH Ethanol rCH 1.098   1.094 -0.004 1 6
CH2PH Phosphaethene rCH 1.090 ±0.015 1.087 -0.003 1 4
C3H6O 2-Propen-1-ol rCH 1.092 ±0.010 1.089 -0.003 2 7
C4H4N2 1,3-Diazine rCH 1.087   1.084 -0.003 1 7
C3H6O 2-Propen-1-ol rCH 1.091 ±0.010 1.088 -0.003 3 9
C3H7SH 1-Propanethiol rCC 1.529   1.526 -0.003 7 10
CH2FCl fluorochloromethane rCH 1.090 ±0.010 1.087 -0.003 1 4
CH2 Methylene rCH 1.085   1.082 -0.003 1 2
CH3CH2CHO Propanal rCH 1.105   1.102 -0.003 2 8
CH2CCHCH3 1,2-Butadiene rC=C 1.314   1.311 -0.003 1 2
H2CSe Selenoformaldehyde rHC 1.090   1.088 -0.003 1 3
C3H4N2 1H-Pyrazole rCH 1.080   1.078 -0.002 3 4
C5H5N Pyridine rC:C 1.400   1.398 -0.002 2 5
CH3SCH2CH3 Ethane, (methylthio)- rCH 1.097   1.095 -0.002 5 6
CH3ONO Methyl nitrite rCH 1.090   1.088 -0.002 1 3
C4H8O2 Ethyl acetate rCC 1.515   1.513 -0.002 5 6
NH4+ ammonium cation rHN 1.029 ±0.000 1.027 -0.002 1 2
C5H8O Methyl cyclopropyl ketone rCC 1.510   1.508 -0.002 2 3
CH3CH(CH3)CH3 Isobutane rCH 1.100   1.098 -0.002 3 6
C6H6 Fulvene rC=C 1.349 ±0.002 1.347 -0.002 1 2
CH3CH2CHO Propanal rCH 1.096   1.094 -0.002 1 5
CH2C(CH3)CH3 1-Propene, 2-methyl- rCH 1.088   1.087 -0.001 2 3
CH3NHCH3 Dimethylamine rCH 1.098   1.097 -0.001 3 7
C4H10O Ethoxy ethane rCC 1.517   1.516 -0.001 2 4
C3H4O Cyclopropanone rCC 1.575   1.574 -0.001 3 4
CH3NO nitrosomethane rCH 1.094   1.093 -0.001 1 4
C3H3NO Oxazole rCH 1.075 ±0.001 1.074 -0.001 2 6
C5H6 Bicyclo[2.1.0]pent-2-ene rCC 1.530   1.529 -0.001 1 3
MgOH magnesium hydroxide rMgO 1.767   1.767 -0.000 1 2
CH3NC methyl isocyanide rCH 1.094   1.094 -0.000 1 4
C2H5F fluoroethane rCH 1.095 ±0.007 1.095 0.000 1 4
CH2CO Ketene rCH 1.083   1.082 0.000 1 4
CH2Cl2 Methylene chloride rCH 1.085 ±0.002 1.085 0.000 1 2
C6H12 Cyclohexane rCH 1.101   1.101 0.000 1 7
C3H5ClO Oxirane, (chloromethyl)- rCC 1.475   1.475 0.000 3 4
C4H6S Thiophene, 2,5-dihydro- rCH 1.095   1.095 0.000 2 6
LiOH lithium hydroxide rLiO 1.582   1.582 0.000 1 2
CH3CH(NH2)COOH Alanine rCC 1.544   1.544 0.000 3 4
C7H16 heptane rCC 1.534   1.534 0.000 1 2
C3H3NO Oxazole rCH 1.075 ±0.001 1.075 0.000 4 7
CH3CCH propyne rCH 1.096   1.096 0.000 1 5
C3H3NO Oxazole rCH 1.073 ±0.001 1.074 0.000 5 8
C4H4N2 1,3-Diazine rCH 1.082   1.083 0.001 2 8
C6H5OH phenol rC:C 1.398   1.399 0.001 1 2
C2H Ethynyl radical rC#C 1.217   1.217 0.001 1 2
CH3CHFCH3 2-Fluoropropane rCH 1.093 ±0.006 1.094 0.001 4 8
C4H6 Cyclobutene rCH 1.083   1.084 0.001 1 5
C5H8 Ethenylcyclopropane rCC 1.475   1.476 0.001 1 2
CH3CHFCH3 2-Fluoropropane rCH 1.094 ±0.005 1.095 0.001 4 10
CH2CHF Ethene, fluoro- rCH 1.082   1.083 0.001 1 4
C10H8 Azulene rC:C 1.398   1.399 0.001 1 3
C2H2ClF 1-chloro-1-fluoroethylene rCH 1.082 ±0.001 1.083 0.001 2 5
C4H4N2 1,3-Diazine rC:N 1.350   1.351 0.001 3 5
C6H6 Fulvene rCC 1.476 ±0.008 1.477 0.001 5 6
C2H5N Aziridine rCH 1.083   1.084 0.001 3 5
C3H6O 2-Propen-1-ol rCH 1.102 ±0.020 1.103 0.001 1 6
CH3OCHO methyl formate rCH 1.086   1.087 0.001 1 5
B2H6 Diborane rBH 1.320   1.321 0.001 1 3
CH3OC2H5 Ethane, methoxy- rCH 1.099 ±0.007 1.100 0.001 1 6
CH3OCH3 Dimethyl ether rCH 1.099 ±0.001 1.100 0.001 2 6
D2 Deuterium diatomic rDD 0.742   0.743 0.001 1 2
CH3CHS Thioacetaldehyde rCH 1.090   1.091 0.001 2 5
C8H8 cyclooctatetraene rCC 1.470 ±0.001 1.472 0.002 1 5
H2 Hydrogen diatomic rHH 0.741   0.743 0.002 1 2
HD Deuterium hydride rDH 0.741   0.743 0.002 1 2
CH3CHClCH3 Propane, 2-chloro- rCH 1.091   1.093 0.002 2 5
CH3NO3 Methyl nitrate rCH 1.088   1.090 0.002 5 6
LiNH2 lithium amide rLiN 1.736 ±0.003 1.738 0.002 1 2
C4H6 Cyclobutene rCH 1.094   1.096 0.002 3 7
C4H8 cyclobutane rCH 1.093   1.095 0.002 1 5
CH3CHS Thioacetaldehyde rCH 1.098   1.100 0.002 2 6
CH3OC2H5 Ethane, methoxy- rCH 1.092 ±0.007 1.094 0.002 4 11
C2H2 Acetylene rCH 1.063   1.065 0.002 1 3
C3H6 Cyclopropane rCH 1.083   1.085 0.002 1 4
C3F6 hexafluoropropene rC=C 1.329 ±0.003 1.331 0.002 1 2
CH2CHCH2CH3 1-Butene rCC 1.536   1.538 0.002 1 2
C10H8 Azulene rCH 1.080   1.082 0.002 9 17
C6H6 Fulvene rCH 1.080 ±0.005 1.082 0.002 5 11
CH3CH2CHO Propanal rCC 1.523   1.525 0.002 1 2
C4H10O Ethoxy ethane rCH 1.100   1.103 0.003 2 6
C6H5OH phenol rCH 1.082   1.085 0.003 4 11
CH3SCH2CH3 Ethane, (methylthio)- rCH 1.090   1.093 0.003 9 11
C5H5N Bicyclo[1.1.0]butane-1-carbonitrile rCC 1.518   1.521 0.003 3 7
CH3OC2H5 Ethane, methoxy- rCH 1.100 ±0.003 1.103 0.003 3 8
C5H10 Cyclopropane, 1,1-dimethyl- rCC 1.514   1.517 0.003 1 4
C4H8 cyclobutane rCH 1.091   1.094 0.003 1 6
CH3SCH2CH3 Ethane, (methylthio)- rCH 1.092   1.095 0.003 1 3
C10H8 Azulene rC:C 1.405 ±0.001 1.407 0.003 2 9
CH3NO nitrosomethane rCH 1.092   1.095 0.003 1 5
C4H10O Propane, 2-methoxy- rCH 1.095   1.098 0.003 1 2
C3H4 cyclopropene rCH 1.072   1.075 0.003 2 4
C3H4 cyclopropene rCH 1.088   1.091 0.003 1 6
C3H8 Propane rCH 1.096   1.099 0.003 1 4
HNCNH diiminomethane rC=N 1.224 ±0.001 1.227 0.003 1 2
C6H5OH phenol rCH 1.084   1.087 0.003 2 9
C6H8 1,4-Cyclohexadiene rCH 1.100   1.103 0.003 1 11
C6H6 Fulvene rC=C 1.355 ±0.004 1.358 0.003 3 5
C5H8 Cyclobutane, methylene- rCC 1.524   1.527 0.003 1 3
C6H6 Fulvene rCH 1.078 ±0.005 1.081 0.003 3 9
C10H8 Azulene rCH 1.084   1.087 0.003 4 14
C2H5N Aziridine rCH 1.084   1.088 0.004 3 6
CH3SCH2CH3 Ethane, (methylthio)- rCH 1.089   1.093 0.004 9 10
C4H10O Ethoxy ethane rCH 1.092   1.096 0.004 4 10
C3H7SH 1-Propanethiol rCH 1.090   1.094 0.004 8 10
HCCCN Cyanoacetylene rCH 1.062 ±0.001 1.066 0.004 4 5
CH3CHS Thioacetaldehyde rCH 1.089   1.093 0.004 1 4
C2H5F fluoroethane rCH 1.090 ±0.007 1.094 0.004 2 7
C3H6O 2-Propen-1-ol rCH 1.096 ±0.030 1.100 0.004 1 5
CH3CH2Cl Ethyl chloride rCH 1.086   1.090 0.004 2 7
C2H2+ acetylene cation rCH 1.077 ±0.005 1.081 0.004 1 3
CH2NN diazomethane rCH 1.075   1.079 0.004 1 4
C4H10O Ethoxy ethane rCH 1.090   1.094 0.004 4 12
CH3CH2CH2CH3 Butane rCC 1.531   1.535 0.004 1 2
CH3CH(CH3)CH3 Isobutane rCH 1.092   1.097 0.005 3 9
CH3CCH propyne rCH 1.060   1.065 0.005 3 4
C2H5F fluoroethane rCH 1.091 ±0.007 1.096 0.005 2 6
CH3OC2H5 Ethane, methoxy- rCH 1.086 ±0.010 1.091 0.005 1 5
C5H10 2-Pentene, (Z)- rCH 1.092   1.097 0.005 1 2
C6H12 Cyclohexane rCH 1.093   1.098 0.005 1 13
CH3CHFCH3 2-Fluoropropane rCH 1.092   1.097 0.005 1 3
CH3Br methyl bromide rCH 1.082 ±0.001 1.087 0.005 1 3
C2H3Cl Ethene, chloro- rCH 1.079   1.084 0.005 2 5
C4H6O Cyclobutanone rCC 1.556   1.561 0.005 3 5
CH3SeH Methane selenol rSeH 1.473 ±0.020 1.478 0.005 1 3
BH3 boron trihydride rBH 1.190   1.195 0.005 1 2
C3H7SH 1-Propanethiol rCH 1.092   1.098 0.006 5 7
CH3OCH3 Dimethyl ether rCH 1.085 ±0.001 1.091 0.006 2 4
CHONH2 formamide rNH 1.001   1.007 0.006 3 6
C6H10 1-Butyne, 3,3-dimethyl- rC#C 1.209 ±0.001 1.215 0.006 1 6
C4H6 Bicyclo[1.1.0]butane rCC 1.497   1.503 0.006 1 2
CH4 Methane rCH 1.087 ±0.001 1.093 0.006 1 2
C5H8 1,3-Butadiene, 2-methyl- rCC 1.463   1.469 0.006 2 3
CH2F2 Methane, difluoro- rCH 1.084 ±0.003 1.090 0.006 1 2
CH3CHO Acetaldehyde rCH 1.086   1.092 0.006 2 5
CH3CHClCH3 Propane, 2-chloro- rCH 1.092   1.098 0.006 3 6
C5H10 Cyclopropane, 1,1-dimethyl- rCH 1.080   1.086 0.006 2 6
C4H6O Cyclobutanone rCC 1.527   1.533 0.006 2 3
C4H4N2 1,3-Diazine rCH 1.079   1.085 0.006 3 9
CH2CHF Ethene, fluoro- rCH 1.077   1.083 0.006 2 5
C2H5F fluoroethane rCC 1.505 ±0.007 1.511 0.006 1 2
CH3OC2H5 Ethane, methoxy- rCH 1.089 ±0.008 1.095 0.006 4 10
C5H8 Bicyclo[2.1.0]pentane rCC 1.565   1.572 0.007 3 4
CSe2 Carbon diselenide rC=Se 1.692 ±0.000 1.699 0.007 1 2
C10H8 Azulene rCH 1.083   1.090 0.007 5 15
C5H5N Pyridine rC:C 1.390   1.397 0.007 3 5
CH3OCl methyl hypochlorite rCH 1.086 ±0.018 1.093 0.007 3 5
CH3CHFCH3 2-Fluoropropane rCH 1.088 ±0.006 1.095 0.007 4 6
CH3CH2Cl Ethyl chloride rCH 1.090   1.098 0.007 1 3
HSe Selenium monohydride rSeH 1.475 ±0.010 1.483 0.008 1 2
CH3CH2OH Ethanol rCH 1.088   1.096 0.008 1 5
C3H6O 2-Propen-1-ol rCH 1.078 ±0.010 1.086 0.008 3 8
C10H8 Azulene rCH 1.081   1.089 0.008 1 11
SCSe Carbon sulfide selenide rC=Se 1.695 ±0.002 1.703 0.008 1 3
C10H8 naphthalene rC:C 1.410   1.418 0.008 2 3
C4H6 Cyclobutene rCC 1.517   1.525 0.008 1 3
C6H6 Fulvene rCC 1.470 ±0.004 1.478 0.008 1 3
C2H2+ acetylene cation rC=C 1.253 ±0.001 1.261 0.008 1 2
CHONH2 formamide rNH 1.001   1.009 0.008 3 5
C8H8 cyclooctatetraene rC=C 1.337 ±0.001 1.346 0.009 1 2
CrH Chromium hydride rHCr 1.655 ±0.001 1.664 0.009 1 2
C6H10 1-Butyne, 3,3-dimethyl- rCH 1.056 ±0.001 1.065 0.009 6 7
OCSe Carbonyl selenide rC=Se 1.709   1.718 0.009 1 3
C2H2 Acetylene rC#C 1.203   1.211 0.009 1 2
CH3SCH2CH3 Ethane, (methylthio)- rCH 1.087   1.096 0.009 1 2
C2H3 vinyl rCH 1.085   1.094 0.009 2 4
C6H5OH phenol rCH 1.076   1.085 0.009 3 10
CH3CH2O Ethoxy radical rCH 1.085   1.095 0.010 1 5
LiF lithium fluoride rLiF 1.564 ±0.000 1.574 0.010 1 2
C6H8 (Z)-hexa-1,3,5-triene rC=C 1.337   1.347 0.010 3 5
C5H8O 2H-Pyran, 3,4-dihydro- rCC 1.516   1.526 0.010 10 13
CH3CH2O Ethoxy radical rCH 1.086   1.096 0.010 1 4
H2CSe Selenoformaldehyde rC=Se 1.753   1.763 0.010 1 2
CH3NHCH3 Dimethylamine rCH 1.084   1.094 0.010 3 9
SiH2Cl2 dichlorosilane rSiH 1.480 ±0.015 1.490 0.010 1 2
CH3NHCH3 Dimethylamine rCH 1.098   1.108 0.010 3 5
AsH Arsenic monohydride rAsH 1.535 ±0.001 1.545 0.011 1 2
C6H5OCH3 Anisole rCO 1.433   1.444 0.011 7 8
C5H8 Bicyclo[2.1.0]pentane rCC 1.528   1.539 0.011 1 3
C5H10 2-Pentene, (Z)- rCC 1.490   1.501 0.011 8 14
N2O3 Dinitrogen trioxide rN=O 1.217   1.228 0.011 2 5
CH2CHCH2CH3 1-Butene rCC 1.493   1.505 0.012 2 3
HCCl Chloromethylene rCH 1.119 ±0.036 1.130 0.012 1 3
C8H8 cyclooctatetraene rCH 1.079 ±0.001 1.091 0.012 1 9
BeH2 beryllium dihydride rBeH 1.326 ±0.000 1.339 0.012 1 2
C3H6 Cyclopropane rCC 1.501   1.514 0.013 1 2
ClCN chlorocyanogen rC#N 1.161   1.173 0.013 2 3
C5H6 Propellane rCC 1.525 ±0.002 1.538 0.013 1 2
NaH sodium hydride rNaH 1.887 ±0.000 1.900 0.013 1 2
CuCl Copper monochloride rCuCl 2.051 ±0.000 2.065 0.014 1 2
CH3NH2 methyl amine rCH 1.093 ±0.000 1.107 0.014 1 3
HOCl hypochlorous acid rOH 0.973 ±0.002 0.987 0.014 1 2
HClO4 perchloric acid rOH 0.980   0.994 0.014 3 6
CN Cyano radical rC#N 1.172   1.186 0.014 1 2
C3H7N Cyclopropylamine rCH 1.080   1.095 0.015 1 2
CH3CH2OH Ethanol rCH 1.086   1.101 0.015 2 8
MgOH magnesium hydroxide rOH 0.940   0.955 0.015 1 3
H2O Water rOH 0.958 ±0.000 0.973 0.015 1 2
C10H8 Azulene rC:C 1.377   1.393 0.015 5 7
H2Se Hydrogen selenide rSeH 1.460   1.476 0.016 1 2
HBr+ hydrogen bromide cation rHBr 1.448   1.465 0.016 1 2
NaBr Sodium Bromide rNaBr 2.502 ±0.000 2.519 0.017 1 2
C5H7N Cyclobutanecarbonitrile rCC 1.551   1.568 0.017 3 6
CH3COCl Acetyl Chloride rC=O 1.187   1.204 0.017 1 3
TiCl Titanium Monochloride rClTi 2.265 ±0.000 2.282 0.017 1 2
AsH3 Arsine rAsH 1.511 ±0.000 1.528 0.018 1 2
C10H8 Azulene rC:C 1.484   1.502 0.018 7 8
CH3CH2O Ethoxy radical rCH 1.088   1.106 0.018 2 7
GeH3F monofluorogermane rGeH 1.515 ±0.000 1.533 0.019 1 3
C4H6 Methylenecyclopropane rCC 1.457   1.476 0.019 2 5
BN boron nitride rB=N 1.325   1.344 0.019 1 2
BeH beryllium monohydride rBeH 1.343   1.361 0.019 1 2
CCl2O Phosgene rC=O 1.177   1.196 0.019 1 2
HO2 Hydroperoxy radical rOH 0.971   0.990 0.019 1 3
As2 Arsenic diatomic rAs#As 2.103   2.122 0.019 1 2
C2H Ethynyl radical rCH 1.047   1.066 0.019 1 3
N3 azide radical rNN 1.181   1.200 0.019 1 2
N2 Nitrogen diatomic rN#N 1.098   1.117 0.019 1 2
C3H8O2 Methane, dimethoxy- rCO 1.432   1.452 0.020 4 6
CH3CH(NH2)COOH Alanine rCC 1.509   1.529 0.020 2 3
C4H4N2 Pyridazine rCH 1.064   1.084 0.020 1 5
C4H4N2 1,3-Diazine rC:N 1.328   1.348 0.020 2 6
SiH3Cl chlorosilane rSiH 1.475   1.496 0.021 1 3
CH3NC methyl isocyanide rC#N 1.166 ±0.003 1.187 0.021 2 3
H2Cl+ dihydrogen monochloride cation rHCl 1.321 ±0.000 1.341 0.021 1 2
C3H5 Allyl radical rCH 1.069   1.090 0.021 1 2
C5H8O Cyclopentanone rCC 1.504   1.525 0.021 2 3
CN- cyanide anion rC#N 1.177 ±0.004 1.198 0.021 1 2
HBr hydrogen bromide rHBr 1.414 ±0.000 1.436 0.021 1 2
SiH4 Silane rSiH 1.480 ±0.000 1.501 0.022 1 2
NO+ nitric oxide cation rN=O 1.066   1.087 0.022 1 2
OCSe Carbonyl selenide rC=O 1.159   1.180 0.022 1 2
N(CH3)3 Trimethylamine rCH 1.088   1.110 0.022 2 5
CH2NN diazomethane rN=N 1.139   1.161 0.022 2 3
C3F6 hexafluoropropene rCF 1.329 ±0.003 1.351 0.022 1 4
NH Imidogen rNH 1.036   1.058 0.022 1 2
BO boron monoxide rB=O 1.205   1.227 0.022 1 2
CO+ carbon monoxide cation rC=O 1.115 ±0.000 1.138 0.022 1 2
KrH+ Protonated Krypton rHKr 1.421 ±0.000 1.444 0.022 1 2
C5H10 2-Pentene, (E)- rCC 1.484   1.507 0.023 4 11
SiHCl3 Trichlorosilane rSiH 1.464   1.487 0.023 1 2
SiH3F monofluorosilane rSiH 1.476   1.499 0.023 1 3
C6H5OH phenol rCO 1.364   1.387 0.023 1 7
C2 Carbon diatomic rC=C 1.243   1.266 0.024 1 2
BeO beryllium oxide rBe=O 1.331   1.355 0.024 1 2
C3H3NO Oxazole rCO 1.357 ±0.003 1.381 0.024 1 2
MgO magnesium oxide rMgO 1.749   1.773 0.024 1 2
HOBr Hypobromous acid rOH 0.961   0.985 0.024 1 2
DO Hydroxyl-d rDO 0.970   0.994 0.024 1 2
OH Hydroxyl radical rOH 0.970   0.994 0.024 1 2
C3O2 Carbon suboxide rC=C 1.251   1.275 0.024 1 2
CH3OC2H5 Ethane, methoxy- rCO 1.415 ±0.005 1.440 0.025 1 2
COBr2 Carbonic dibromide rC=O 1.172 ±0.003 1.197 0.025 1 2
C5H12O Butane, 1-methoxy- rCO 1.415   1.440 0.025 3 4
CH Methylidyne rCH 1.120   1.145 0.025 1 2
C3H3NO Oxazole rCO 1.370 ±0.002 1.395 0.025 1 5
NO Nitric oxide rN=O 1.154 ±0.000 1.179 0.026 1 2
GeH germylidene rGeH 1.588   1.614 0.026 1 2
N2O3 Dinitrogen trioxide rN=O 1.142   1.169 0.027 1 3
C5H6 Propellane rCC 1.596 ±0.005 1.623 0.027 2 5
O2+ diatomic oxygen cation rOO 1.116   1.144 0.027 1 2
CO Carbon monoxide rC#O 1.128 ±0.000 1.156 0.027 1 2
BH Boron monohydride rBH 1.232   1.260 0.027 1 2
HS+ sulfur monohydride cation rSH 1.374   1.402 0.027 1 2
C4H8O2 Ethyl acetate rCO 1.345   1.373 0.028 2 3
CH3OCHO methyl formate rCO 1.334   1.362 0.028 2 3
DF Hydrofluoric acid-d rDF 0.917 ±0.000 0.946 0.028 1 2
CH2CO Ketene rC=O 1.162   1.191 0.029 2 3
HF Hydrogen fluoride rHF 0.917 ±0.000 0.946 0.029 1 2
SiH3+ Silyl cation rSiH 1.460 ±0.010 1.489 0.029 1 2
CH3OCH3 Dimethyl ether rCO 1.411 ±0.001 1.440 0.029 1 2
CH2FCl fluorochloromethane rCF 1.370 ±0.001 1.399 0.029 1 2
CaOH Calcium monohydroxide rOH 0.930 ±0.007 0.960 0.030 2 3
CHF2Cl difluorochloromethane rCF 1.350 ±0.010 1.380 0.030 1 4
N2O3 Dinitrogen trioxide rN=O 1.202   1.232 0.030 2 4
CH3OCHO methyl formate rCO 1.437   1.467 0.030 1 2
FNO2 Nitryl fluoride rN=O 1.180 ±0.005 1.210 0.030 1 3
SiH2F2 difluorosilane rSiH 1.462   1.492 0.030 1 4
CF3COOH trifluoroacetic acid rC=O 1.192 ±0.003 1.222 0.030 2 4
CH3ONO Methyl nitrite rN=O 1.182   1.213 0.031 6 7
CBrClF2 Methane, bromochlorodifluoro- rCBr 1.932 ±0.004 1.963 0.031 1 2
C4H8O2 Ethyl acetate rC=O 1.203   1.234 0.031 2 4
CH2C(CH3)OCH3 1-Propene, 2-methoxy- rCO 1.416   1.447 0.031 1 5
CH3ONO Methyl nitrite rCO 1.437   1.468 0.031 1 2
GaF Gallium monofluoride rFGa 1.774 ±0.000 1.806 0.032 1 2
CBr4 Carbon tetrabromide rCBr 1.942 ±0.002 1.974 0.032 1 2
GeBr4 Germanium tetrabromide rGeBr 2.272 ±0.001 2.305 0.033 1 2
BeS beryllium sulfide rBe=S 1.742   1.775 0.034 1 2
P2H4 Diphosphine rPH 1.414   1.448 0.034 1 4
CFCl3 Trichloromonofluoromethane rCF 1.345 ±0.003 1.379 0.034 1 2
C5H10 2-Pentene, (Z)- rCH 1.058   1.092 0.034 12 13
HNCO Isocyanic acid rC=O 1.164   1.198 0.034 3 4
P2H4 Diphosphine rPH 1.417   1.451 0.034 1 3
HF+ hydrogen fluoride cation rHF 1.014   1.049 0.035 1 2
CSe Carbon monoselenide rC=Se 1.676 ±0.000 1.711 0.035 1 2
MgH+ magnesium monohydride cation rMgH 1.652   1.687 0.035 1 2
C4H10O Ethoxy ethane rCO 1.411   1.447 0.036 1 2
C5H8 Bicyclo[2.1.0]pentane rCC 1.507   1.544 0.037 1 2
MgF Magnesium monofluoride rMgF 1.750   1.788 0.038 1 2
LiBr Lithium Bromide rLiBr 2.170 ±0.000 2.208 0.038 1 2
ArH+ Argon hydride cation rArH 1.292 ±0.000 1.330 0.038 1 2
NH2SH Thiohydroxylamine rSH 1.344 ±0.029 1.382 0.038 2 3
HO2 Hydroperoxy radical rOO 1.331   1.370 0.039 1 2
HSiCl Chlorosilylene rSiH 1.525 ±0.005 1.564 0.039 1 3
MgH magnesium monohydride rMgH 1.730   1.769 0.040 1 2
O2 Oxygen diatomic rO=O 1.208   1.248 0.040 1 2
C2HF3 Trifluoroethylene rCF 1.316 ±0.011 1.356 0.040 1 3
CH3OC2H5 Ethane, methoxy- rCO 1.407 ±0.004 1.448 0.041 2 3
AsF5 Arsenic pentafluoride rAsF 1.711 ±0.005 1.752 0.041 1 5
LiH Lithium Hydride rLiH 1.595 ±0.000 1.636 0.041 1 2
GeO Germanium monoxide rOGe 1.625   1.666 0.041 1 2
C4H10O Propane, 2-methoxy- rCO 1.422   1.463 0.041 5 14
OH- hydroxide anion rOH 0.964   1.005 0.041 1 2
Si(CH3)4 tetramethylsilane rSiC 1.875 ±0.002 1.916 0.041 1 2
BF3 Borane, trifluoro- rBF 1.307   1.348 0.041 1 2
HCl Hydrogen chloride rHCl 1.275 ±0.000 1.316 0.041 1 2
SCSe Carbon sulfide selenide rC=S 1.553 ±0.002 1.594 0.041 1 2
DCl Hydrochloric acid-d rDCl 1.275 ±0.000 1.316 0.042 1 2
AlNC Aluminum isocyanide rAlN 1.855 ±0.005 1.897 0.042 1 2
HCl+ hydrogen chloride cation rHCl 1.315   1.357 0.042 1 2
C4H8O2 1,3-Dioxane rCO 1.393   1.435 0.042 1 2
NH2F monofluoroamine rNF 1.433   1.475 0.042 1 2
C2H5F fluoroethane rCF 1.398 ±0.007 1.440 0.042 1 3
GaAs Gallium arsenide rGa#As 2.530 ±0.020 2.572 0.042 1 2
C3O2 Carbon suboxide rC=O 1.146   1.189 0.043 2 4
HS Mercapto radical rSH 1.341   1.384 0.043 1 2
DS Mercapto-d rSD 1.341   1.384 0.043 1 2
HNO3 Nitric acid rNO 1.406   1.449 0.043 1 2
B2 Boron diatomic rBB 1.590   1.634 0.044 1 2
CHBr3 bromoform rCBr 1.924 ±0.005 1.968 0.044 1 3
BS boron sulfide rBS 1.609   1.654 0.044 1 2
NaLi lithium sodium rLiNa 2.889   2.935 0.046 1 2
H2CS Thioformaldehyde rC=S 1.611   1.657 0.046 1 2
PH phosphorus monohydride rPH 1.422   1.469 0.046 1 2
GeF Germanium monofluoride rFGe 1.745   1.792 0.047 1 2
C3H8O2 Methane, dimethoxy- rCO 1.382   1.429 0.047 1 4
CH2Br2 dibromomethane rCBr 1.925 ±0.002 1.972 0.047 1 4
CH2C(CH3)OCH3 1-Propene, 2-methoxy- rCO 1.353   1.401 0.048 5 10
FNO2 Nitryl fluoride rNF 1.467 ±0.015 1.516 0.049 1 2
F2 Fluorine diatomic rFF 1.412   1.461 0.049 1 2
CH3ONO Methyl nitrite rNO 1.398   1.447 0.049 2 6
GeH3F monofluorogermane rGeF 1.731 ±0.000 1.780 0.049 1 2
HS- mercapto anion rSH 1.343   1.393 0.049 1 2
SiC silicon monocarbide rCSi 1.722   1.772 0.050 1 2
BeF Beryllium monofluoride rBeF 1.361   1.411 0.050 1 2
CHF3 Methane, trifluoro- rCF 1.328 ±0.003 1.379 0.051 1 3
CH2O2 Dioxirane rCO 1.388 ±0.004 1.438 0.051 1 4
CH2F2 Methane, difluoro- rCF 1.351 ±0.001 1.402 0.051 1 4
NO- nitric oxide anion rN=O 1.258 ±0.010 1.310 0.052 1 2
SiH+ silicon monohydride cation rSiH 1.504   1.557 0.053 1 2
CH3NO3 Methyl nitrate rNO 1.402   1.457 0.055 1 4
SiH Silylidyne rSiH 1.520   1.575 0.055 1 2
NaCl Sodium Chloride rNaCl 2.361 ±0.000 2.416 0.055 1 2
GaBr Gallium monobromide rGaBr 2.352 ±0.000 2.407 0.055 1 2
SiN Silicon nitride rSiN 1.575   1.630 0.055 1 2
BeCl beryllium monochloride rBeCl 1.797   1.853 0.056 1 2
PN Phosphorus mononitride rP#N 1.491   1.550 0.059 1 2
CH3CSNH2 Ethanethioamide rC=S 1.647 ±0.002 1.706 0.059 1 2
BF Boron monofluoride rBF 1.267 ±0.000 1.326 0.060 1 2
CH3Br methyl bromide rCBr 1.934 ±0.000 1.994 0.060 1 2
AsF3 Arsenic trifluoride rAsF 1.706 ±0.002 1.766 0.060 1 2
CH2O2 Dioxirane rOO 1.516 ±0.003 1.576 0.060 4 5
CS carbon monosulfide rC#S 1.535   1.595 0.060 1 2
AsF Arsenic monofluoride rFAs 1.736 ±0.001 1.797 0.061 1 2
NSe Nitrogen monoselenide rN=Se 1.652   1.713 0.061 1 2
AlH aluminum monohydride rAlH 1.648   1.709 0.062 1 2
NF nitrogen fluoride rNF 1.317   1.380 0.063 1 2
CHClCCl2 Trichloroethylene rCCl 1.712   1.775 0.063 2 6
MgS magnesium sulfide rMgS 2.143   2.205 0.063 1 2
FO Oxygen monofluoride rFO 1.354   1.418 0.064 1 2
F2O Difluorine monoxide rFO 1.405   1.469 0.064 1 2
C4H8O2 Ethyl acetate rCO 1.448   1.513 0.065 5 6
GeS Germanium monosulfide rS=Ge 2.012 ±0.000 2.078 0.066 1 2
ClCN chlorocyanogen rCCl 1.629   1.695 0.066 1 2
NS+ nitrogen sulfide cation rNS 1.440   1.506 0.066 1 2
CFCl3 Trichloromonofluoromethane rCCl 1.764 ±0.001 1.831 0.067 1 3
GeF+ Germanium monofluoride cation rFGe 1.665 ±0.000 1.733 0.067 1 2
CF Fluoromethylidyne rCF 1.276   1.344 0.067 1 2
CHClCCl2 Trichloroethylene rCCl 1.720   1.791 0.071 2 5
CH3SCH2CH3 Ethane, (methylthio)- rCS 1.804   1.876 0.072 8 9
CH2Cl2 Methylene chloride rCCl 1.767 ±0.002 1.841 0.074 1 4
NS Mononitrogen monosulfide rNS 1.497 ±0.000 1.572 0.075 1 2
AlO Aluminum monoxide rAlO 1.618   1.693 0.075 1 2
AlC Aluminum carbide rC=Al 1.955   2.031 0.076 1 2
AlF Aluminum monofluoride rAlF 1.654 ±0.000 1.730 0.076 1 2
CCl2O Phosgene rCCl 1.737   1.813 0.077 2 3
AsF5 Arsenic pentafluoride rAsF 1.656 ±0.004 1.735 0.079 1 2
P2 Phosphorus diatomic rP#P 1.893   1.974 0.081 1 2
LiCl lithium chloride rLiCl 2.021 ±0.000 2.102 0.081 1 2
SiO Silicon monoxide rSiO 1.510 ±0.000 1.592 0.082 1 2
KH Potassium hydride rKH 2.243 ±0.001 2.326 0.083 1 2
AlN Aluminum nitride rN#Al 1.786   1.870 0.084 1 2
SeO Selenium monoxide rSeO 1.639 ±0.001 1.724 0.084 1 2
SeO2 Selenium dioxide rSeO 1.607 ±0.001 1.691 0.084 1 2
CH3SCH2CH3 Ethane, (methylthio)- rCS 1.804   1.889 0.085 5 8
CH2ClCH2Cl Ethane, 1,2-dichloro- rCCl 1.790   1.878 0.088 1 3
AlS Aluminum sulfide rAlS 2.029   2.119 0.090 1 2
C2Cl2 dichloroacetylene rCCl 1.612 ±0.030 1.702 0.090 1 3
KF Potassium Fluoride rKF 2.171 ±0.000 2.261 0.090 1 2
BCl boron monochloride rBCl 1.719 ±0.000 1.810 0.090 1 2
CH2FCl fluorochloromethane rCCl 1.762 ±0.000 1.854 0.092 1 3
SiP Silicon monophosphide rSiP 2.078 ±0.002 2.170 0.092 1 2
CHF2Cl difluorochloromethane rCCl 1.747 ±0.010 1.839 0.092 1 3
BrF Bromine monofluoride rFBr 1.759 ±0.000 1.854 0.095 1 2
Se2 Selenium diatomic rSe=Se 2.166 ±0.001 2.263 0.097 1 2
SiF4 Silicon tetrafluoride rSiF 1.554   1.651 0.097 1 2
Li2 Lithium diatomic rLiLi 2.673   2.770 0.097 1 2
CH3COCl Acetyl Chloride rCCl 1.798   1.895 0.097 1 4
HOBr Hypobromous acid rBrO 1.834   1.932 0.098 2 3
SiS silicon monosulfide rSiS 1.929 ±0.000 2.028 0.099 1 2
C2H6O2S Dimethyl sulfone rCS 1.777 ±0.006 1.878 0.101 1 4
MgCl magnesium monochloride rMgCl 2.199   2.303 0.104 1 2
BrF3 Bromine trifluoride rFBr 1.810 ±0.000 1.915 0.105 1 3
KBr Potassium Bromide rKBr 2.821 ±0.000 2.927 0.106 1 2
AlBr Aluminum monobromide rAlBr 2.295   2.402 0.107 1 2
OPCl Phosphorus oxychloride rP=O 1.462 ±0.011 1.572 0.110 1 2
SiH3F monofluorosilane rSiF 1.595   1.704 0.110 1 2
Si2 Silicon diatomic rSiSi 2.246   2.358 0.112 1 2
PF5 Phosphorus pentafluoride rFP 1.577   1.689 0.112 1 5
SiF2 Silicon difluoride rFSi 1.590 ±0.000 1.703 0.113 1 2
SiF silicon monofluoride rSiF 1.604   1.718 0.113 1 2
BrF5 bromine pentafluoride rFBr 1.774 ±0.003 1.888 0.114 1 3
CaOH Calcium monohydroxide rOCa 1.976 ±0.004 2.091 0.115 1 2
PO Phosphorus monoxide rP=O 1.476   1.591 0.115 1 2
As4 Arsenic tetramer rAsAs 2.435   2.551 0.116 1 2
GeCl Germanium monochloride rClGe 2.164 ±0.000 2.280 0.116 1 2
PS phosphorus sulfide rP=S 1.900   2.021 0.121 1 2
SiBr+ Silicon monobromide cation rSiBr 2.095 ±0.000 2.218 0.122 1 2
HOCl hypochlorous acid rClO 1.697 ±0.001 1.825 0.128 1 3
SO+ sulfur monoxide cation rO=S 1.424   1.552 0.128 1 2
HCCl Chloromethylene rCCl 1.696 ±0.003 1.825 0.129 1 2
PF phosphorus monofluoride rFP 1.593   1.723 0.131 1 2
ClF Chlorine monofluoride rFCl 1.628 ±0.000 1.760 0.131 1 2
CCl2 dichloromethylene rCCl 1.711   1.843 0.132 1 2
BrF3 Bromine trifluoride rFBr 1.721   1.853 0.132 1 2
SF Monosulfur monofluoride rSF 1.599   1.734 0.134 1 2
PF2 Phosphorus difluoride rPF 1.579   1.714 0.134 1 2
SF4 Sulfur tetrafluoride rSF 1.646 ±0.003 1.781 0.135 1 2
SiHCl3 Trichlorosilane rSiCl 2.020   2.155 0.135 1 3
SiH2Cl2 dichlorosilane rSiCl 2.033 ±0.003 2.169 0.136 1 4
SiH3Cl chlorosilane rSiCl 2.051   2.188 0.138 1 2
BrO Bromine monoxide rOBr 1.718   1.856 0.138 1 2
PF5 Phosphorus pentafluoride rPF 1.534   1.672 0.138 1 2
PO2 Phosphorus dioxide rP=O 1.467   1.605 0.138 1 2
S2+ sulfur diatomic cation rS=S 1.825 ±0.010 1.964 0.139 1 2
He2+ helium diatomic cation rHeHe 1.081 ±0.001 1.220 0.139 1 2
PO- phosphorus monoxide anion rOP 1.540   1.679 0.139 1 2
CCl carbon monochloride rCCl 1.649   1.790 0.141 1 2
KCl Potassium Chloride rKCl 2.667 ±0.000 2.810 0.144 1 2
CaF Calcium monofluoride rFCa 1.967 ±0.001 2.112 0.145 1 2
SOCl2 thionyl chloride rS=O 1.443 ±0.006 1.592 0.149 1 2
SO Sulfur monoxide rS=O 1.481   1.630 0.149 1 2
AlCl Aluminum monochloride rAlCl 2.130 ±0.000 2.279 0.149 1 2
PF+ phosphorus monofluoride cation rFP 1.500   1.652 0.151 1 2
SeCl2 Selenium Dichloride rClSe 2.157 ±0.003 2.309 0.152 1 2
ClO Monochlorine monoxide rClO 1.596 ±0.001 1.749 0.153 1 2
S2 Sulfur diatomic rS=S 1.889   2.045 0.156 1 2
CFCl chlorofluoromethylene rCCl 1.714   1.872 0.158 1 3
F2SO Thionyl Fluoride rO=S 1.413 ±0.000 1.571 0.159 1 2
SOF4 Sulfur tetrafluoride oxide rFS 1.596 ±0.003 1.756 0.160 1 3
SiCl Clorosilylidyne rSiCl 2.061 ±0.000 2.224 0.163 1 2
HSiCl Chlorosilylene rSiCl 2.067 ±0.003 2.231 0.164 1 2
Br2 Bromine diatomic rBrBr 2.281   2.446 0.165 1 2
CaH Calcium monohydride rCaH 2.003 ±0.000 2.169 0.167 1 2
BrF5 bromine pentafluoride rFBr 1.689 ±0.008 1.858 0.169 1 2
SSO Disulfur monoxide rS=O 1.456   1.627 0.170 1 2
NCl nitrogen monochloride rNCl 1.611 ±0.000 1.782 0.171 1 2
ClOF3 Chlorine trifluoride oxide rFCl 1.713 ±0.003 1.885 0.172 1 4
BrCl Bromine monochloride rClBr 2.136 ±0.000 2.314 0.178 1 2
PCl phosphorus chloride rPCl 2.018   2.196 0.178 1 2
HSSSH trisulfane rSS 2.054 ±0.000 2.234 0.180 1 2
F2SO Thionyl Fluoride rFS 1.585 ±0.000 1.766 0.180 1 3
CaC Calcium monocarbide rC#Ca 2.302   2.483 0.182 1 2
SF4 Sulfur tetrafluoride rSF 1.545 ±0.003 1.728 0.183 1 4
PCl5 Phosphorus pentachloride rPCl 2.020   2.207 0.187 1 2
SSO Disulfur monoxide rS=S 1.884   2.071 0.187 2 3
PCl5 Phosphorus pentachloride rPCl 2.124   2.314 0.190 1 5
SCl2 Sulfur dichloride rSCl 2.013 ±0.001 2.206 0.194 1 2
SCl sulfur monochloride rSCl 1.975   2.169 0.194 1 2
OPCl Phosphorus oxychloride rPCl 2.059 ±0.004 2.254 0.195 1 3
Cl2 Chlorine diatomic rClCl 1.988   2.186 0.198 1 2
SOF4 Sulfur tetrafluoride oxide rFS 1.539 ±0.003 1.740 0.201 1 5
C2H6O2S Dimethyl sulfone rS=O 1.431 ±0.004 1.637 0.206 1 2
Cl2+ chlorine diatomic cation rClCl 1.892   2.106 0.215 1 2
CaBr Calcium monobromide rCaBr 2.594 ±0.000 2.809 0.215 1 2
ClOF3 Chlorine trifluoride oxide rFCl 1.603 ±0.004 1.847 0.244 1 3
CaCl calcium monochloride rClCa 2.437   2.682 0.245 1 2
HClO4 perchloric acid rO=Cl 1.414 ±0.001 1.677 0.263 1 2
ClFO3 Perchloryl fluoride rCl=O 1.400   1.673 0.273 2 3
HClO4 perchloric acid rO=Cl 1.404 ±0.001 1.687 0.283 1 4
ClFO3 Perchloryl fluoride rFCl 1.598   1.885 0.287 1 2
CaO Calcium monoxide rOCa 1.822   2.122 0.299 1 2
HClO4 perchloric acid rOCl 1.641 ±0.002 1.946 0.305 1 3
C4H10O Methyl propyl ether rCH 1.099   1.440 0.341 1 2
Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- rAlCl 2.040 ±0.040 2.395 0.355 1 3
569 molecules.