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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 B3LYP/Def2TZVPP

Species Name Bond type Bond Length (Å)
Experimental unc. Calculated Difference atom1 atom2
C4H10O Methyl propyl ether rCC 1.530   1.092 -0.438 5 13
CH3SCH2CH3 Ethane, (methylthio)- rCS 1.804   1.635 -0.169 8 9
CH3SCH2CH3 Ethane, (methylthio)- rCS 1.804   1.635 -0.169 5 8
B2 Boron diatomic rBB 1.590   1.430 -0.160 1 2
SiP Silicon monophosphide rSiP 2.078 ±0.002 1.982 -0.096 1 2
SiC silicon monocarbide rCSi 1.722   1.640 -0.082 1 2
LiCl- lithium chloride anion rLiCl 2.180   2.105 -0.075 1 2
FNO2 Nitryl fluoride rNF 1.467 ±0.015 1.403 -0.064 1 2
C5H10 2-Pentene, (E)- rCC 1.576   1.527 -0.049 11 15
C6H6 Fulvene rCH 1.130 ±0.030 1.083 -0.047 2 7
C2Cl2 dichloroacetylene rC#C 1.246 ±0.030 1.199 -0.047 1 2
C4H6 Methylenecyclopropane rCC 1.457   1.412 -0.045 2 5
C5H6 Bicyclo[2.1.0]pent-2-ene rCC 1.560   1.515 -0.045 3 5
C5H6 Propellane rCC 1.596 ±0.005 1.554 -0.042 2 5
BH Boron monohydride rBH 1.232   1.191 -0.042 1 2
CH3ONO Methyl nitrite rNO 1.398   1.359 -0.039 2 6
C5H8O Methyl cyclopropyl ketone rCH 1.126   1.087 -0.039 3 7
C5H8 Bicyclo[2.1.0]pentane rCC 1.536   1.498 -0.038 1 5
C4H5N Cyclopropanecarbonitrile rCC 1.472   1.434 -0.038 6 8
CH3NO3 Methyl nitrate rNO 1.402   1.364 -0.038 1 4
C4H10O Ethoxy ethane rCH 1.100   1.063 -0.037 2 6
CH2O2 Dioxirane rOO 1.516 ±0.003 1.480 -0.036 4 5
C6H5OCH3 Anisole rCO 1.399   1.367 -0.032 1 7
LiO lithium oxide rLiO 1.688   1.657 -0.032 1 2
NH2F monofluoroamine rNF 1.433   1.402 -0.031 1 2
PO- phosphorus monoxide anion rOP 1.540   1.513 -0.027 1 2
C4H10O Ethoxy ethane rCH 1.092   1.065 -0.027 4 10
C2H2O2 Ethanedial rCH 1.132   1.106 -0.026 1 3
C5H10 2-Pentene, (Z)- rCC 1.561   1.535 -0.026 1 5
CH2ClCH2Cl Ethane, 1,2-dichloro- rCH 1.112   1.086 -0.026 1 5
ScH Scandium monohydride rScH 1.775 ±0.000 1.751 -0.025 1 2
C7H16 heptane rCH 1.121 ±0.007 1.097 -0.024 1 8
TiCl Titanium Monochloride rClTi 2.265 ±0.000 2.241 -0.024 1 2
C5H5N Bicyclo[1.1.0]butane-1-carbonitrile rCC 1.514   1.491 -0.023 3 9
Si(CH3)4 tetramethylsilane rCH 1.115 ±7.000 1.092 -0.023 2 6
CH3CH2CH2CH3 Butane rCH 1.117   1.095 -0.022 1 5
C9H8 Indene rCC 1.415 ±0.170 1.393 -0.022 1 2
C6H8 (Z)-hexa-1,3,5-triene rC=C 1.368   1.346 -0.022 1 2
C4H10O Ethoxy ethane rCH 1.090   1.069 -0.021 4 12
CH3OCl methyl hypochlorite rCH 1.111 ±0.018 1.090 -0.021 3 4
C4H5NO 3-Methylisoxazole rCC 1.514   1.492 -0.021 1 8
C4H5NO Isoxazole, 5-methyl- rCC 1.505   1.484 -0.021 1 5
C4H6 Bicyclo[1.1.0]butane rCC 1.497   1.476 -0.021 1 2
C4H5N Cyclopropanecarbonitrile rCC 1.513   1.493 -0.020 9 10
C4H8O2 Ethyl acetate rCH 1.105   1.085 -0.020 1 7
LiOH lithium hydroxide rOH 0.969   0.950 -0.019 1 3
C3H8O2 1,3-Propanediol rOH 0.980   0.961 -0.019 6 8
C6H8 (Z)-hexa-1,3,5-triene rCH 1.104   1.085 -0.019 1 7
CH2NN diazomethane rC=N 1.300   1.281 -0.019 1 2
N(CH3)3 Trimethylamine rCH 1.109   1.091 -0.018 2 8
N2O3 Dinitrogen trioxide rN=O 1.217   1.199 -0.018 2 5
C5H9N Pentanenitrile rCC 1.478   1.460 -0.018 4 6
HClO4 perchloric acid rOCl 1.641 ±0.002 1.623 -0.018 1 3
CH3COCl Acetyl Chloride rCH 1.105   1.087 -0.018 2 5
C2H Ethynyl radical rC#C 1.217   1.199 -0.017 1 2
C3F6 hexafluoropropene rCF 1.329 ±0.003 1.312 -0.017 1 4
C5H6 1-Buten-3-yne, 2-methyl- rCC 1.445   1.428 -0.017 7 8
D2 Deuterium diatomic rDD 0.742   0.725 -0.017 1 2
HD Deuterium hydride rDH 0.741   0.725 -0.017 1 2
CH2NN diazomethane rCH 1.075   1.058 -0.017 1 4
ClO Monochlorine monoxide rClO 1.596 ±0.001 1.580 -0.016 1 2
C4H4N2 1,3-Diazine rC:N 1.350   1.334 -0.016 3 5
C5H8 Ethenylcyclopropane rCH 1.099   1.083 -0.016 1 6
CH3OC2H5 Ethane, methoxy- rCO 1.415 ±0.005 1.399 -0.016 1 2
F2 Fluorine diatomic rFF 1.412   1.396 -0.015 1 2
C3H5ClO Oxirane, (chloromethyl)- rCC 1.475   1.460 -0.015 3 4
C6H12 (E)-3-methylpent-2-ene rCC 1.551   1.536 -0.015 9 12
CH2ClCH2Cl Ethane, 1,2-dichloro- rCC 1.531   1.516 -0.015 1 2
F2O Difluorine monoxide rFO 1.405   1.390 -0.015 1 2
NaF sodium fluoride rNaF 1.926 ±0.000 1.911 -0.015 1 2
B2H6 Diborane rBH 1.200   1.185 -0.015 1 5
C4H4N2 Succinonitrile rCC 1.561   1.547 -0.014 1 2
CH3CH2CHO Propanal rCH 1.103   1.089 -0.014 1 6
C5H5N Bicyclo[1.1.0]butane-1-carbonitrile rCC 1.518   1.505 -0.013 3 7
C6H5OCH3 Anisole rCO 1.433   1.420 -0.013 7 8
C5H6 Bicyclo[2.1.0]pent-2-ene rCC 1.530   1.517 -0.013 1 3
CH3ONO Methyl nitrite rCH 1.102   1.089 -0.013 1 4
C5H6 Propellane rCC 1.525 ±0.002 1.512 -0.013 1 2
P2 Phosphorus diatomic rP#P 1.893   1.881 -0.013 1 2
HCCl Chloromethylene rCH 1.119 ±0.036 1.106 -0.013 1 3
C5H5N Pyridine rC:C 1.400   1.388 -0.012 2 5
C2H5F fluoroethane rCF 1.398 ±0.007 1.386 -0.012 1 3
C2- carbon diatomic anion rC#C 1.268 ±0.000 1.256 -0.012 1 2
Si2 Silicon diatomic rSiSi 2.246   2.234 -0.012 1 2
C6H6 Fulvene rC=C 1.349 ±0.002 1.337 -0.011 1 2
BN boron nitride rB=N 1.325   1.314 -0.011 1 2
FO Oxygen monofluoride rFO 1.354   1.343 -0.011 1 2
CaOH Calcium monohydroxide rOCa 1.976 ±0.004 1.965 -0.011 1 2
CH2CCHCH3 1,2-Butadiene rC=C 1.314   1.303 -0.011 1 2
LiNH2 lithium amide rLiN 1.736 ±0.003 1.725 -0.011 1 2
CH2FCl fluorochloromethane rCF 1.370 ±0.001 1.359 -0.011 1 2
N3 azide radical rNN 1.181   1.171 -0.011 1 2
C3H6O Propylene oxide rCC 1.513   1.502 -0.011 2 6
CH3NO3 Methyl nitrate rCH 1.095   1.085 -0.010 5 8
C8H8 cubane rCH 1.097   1.087 -0.010 1 9
C2H3Cl Ethene, chloro- rCH 1.090   1.080 -0.010 1 4
BeO beryllium oxide rBe=O 1.331   1.321 -0.010 1 2
MgO magnesium oxide rMgO 1.749   1.739 -0.010 1 2
SiH2Cl2 dichlorosilane rSiH 1.480 ±0.015 1.470 -0.010 1 2
ClCN chlorocyanogen rC#N 1.161   1.151 -0.010 2 3
C5H12O Butane, 1-methoxy- rCO 1.415   1.405 -0.010 3 4
CN Cyano radical rC#N 1.172   1.162 -0.010 1 2
C2H2+ acetylene cation rC=C 1.253 ±0.001 1.243 -0.009 1 2
C5H8 Cyclopentene rCC 1.518   1.509 -0.009 2 4
CH3COCl Acetyl Chloride rCC 1.506   1.497 -0.009 1 2
BH+ boron monohydride cation rBH 1.215   1.205 -0.009 1 2
HClO4 perchloric acid rOH 0.980   0.971 -0.009 3 6
CH2NH Methanimine rCH 1.103   1.094 -0.009 1 3
CH2O2 Dioxirane rCO 1.388 ±0.004 1.379 -0.009 1 4
NO Nitric oxide rN=O 1.154 ±0.000 1.145 -0.009 1 2
C4H5N (E)-2-Butenenitrile rCC 1.432   1.423 -0.009 8 10
C6H6 Fulvene rC=C 1.355 ±0.004 1.346 -0.009 3 5
CH3NH2 methyl amine rCN 1.471 ±0.003 1.463 -0.008 1 2
PN Phosphorus mononitride rP#N 1.491   1.483 -0.008 1 2
B2H6 Diborane rBH 1.320   1.312 -0.008 1 3
CH2C(CH3)OCH3 1-Propene, 2-methoxy- rCH 1.087   1.079 -0.008 11 12
CH3CH2CHO Propanal rCH 1.115   1.107 -0.008 3 10
C3H8O2 Methane, dimethoxy- rCO 1.432   1.424 -0.008 4 6
CH2PH Phosphaethene rCH 1.090 ±0.015 1.082 -0.008 1 3
CH2CHCH2CH2Cl 1-Butene, 4-chloro- rCC 1.508   1.500 -0.008 2 6
HO2 Hydroperoxy radical rOO 1.331   1.323 -0.008 1 2
CH3CH2OH Ethanol rCH 1.098   1.090 -0.008 1 6
CN- cyanide anion rC#N 1.177 ±0.004 1.169 -0.008 1 2
CFCl3 Trichloromonofluoromethane rCF 1.345 ±0.003 1.338 -0.007 1 2
CH3CH2CHO Propanal rCH 1.105   1.098 -0.007 2 8
C5H8 1,3-Butadiene, 2-methyl- rCC 1.512   1.505 -0.007 2 5
CH3COCl Acetyl Chloride rC=O 1.187   1.180 -0.007 1 3
CaH Calcium monohydride rCaH 2.003 ±0.000 1.995 -0.007 1 2
HOCl hypochlorous acid rOH 0.973 ±0.002 0.966 -0.007 1 2
N2 Nitrogen diatomic rN#N 1.098   1.091 -0.007 1 2
CH3CH(CH3)CH3 Isobutane rCH 1.100   1.093 -0.007 3 6
OCSe Carbonyl selenide rC=O 1.159   1.152 -0.007 1 2
CH2PH Phosphaethene rCH 1.090 ±0.015 1.083 -0.007 1 4
ICN Cyanogen iodide rC#N 1.160 ±0.000 1.154 -0.007 2 3
C6H5OH phenol rC:C 1.398   1.392 -0.006 1 2
HS+ sulfur monohydride cation rSH 1.374   1.368 -0.006 1 2
C4H4N2 1,3-Diazine rCH 1.087   1.081 -0.006 1 7
C3H4N2 1H-Pyrazole rCH 1.082   1.076 -0.006 1 2
CH3NH2 methyl amine rNH 1.018 ±0.001 1.012 -0.006 2 6
SOCl2 thionyl chloride rS=O 1.443 ±0.006 1.437 -0.006 1 2
CH3NHCH3 Dimethylamine rCH 1.098   1.092 -0.006 3 7
C2H2 Acetylene rC#C 1.203   1.197 -0.006 1 2
CH3CH2CHO Propanal rCC 1.509   1.503 -0.006 2 3
H2CSe Selenoformaldehyde rHC 1.090   1.085 -0.006 1 3
N2O3 Dinitrogen trioxide rN=O 1.142   1.136 -0.006 1 3
CH2 Methylene rCH 1.085   1.079 -0.006 1 2
CH3SCH2CH3 Ethane, (methylthio)- rCH 1.092   1.086 -0.006 1 3
C4H4N2 Succinonitrile rCC 1.465   1.459 -0.006 1 3
C3H4N2 1H-Pyrazole rCH 1.083   1.077 -0.006 5 6
CH3NC methyl isocyanide rCN 1.426 ±0.003 1.420 -0.006 1 2
C8H8 cyclooctatetraene rC=C 1.337 ±0.001 1.332 -0.006 1 2
C6H12 Cyclohexane rCH 1.101   1.096 -0.005 1 7
CH2C(CH3)CH3 1-Propene, 2-methyl- rCH 1.088   1.083 -0.005 2 3
HNCNH diiminomethane rC=N 1.224 ±0.001 1.219 -0.005 1 2
CH3NC methyl isocyanide rCH 1.094   1.089 -0.005 1 4
C6H10 1-Butyne, 3,3-dimethyl- rCH 1.056 ±0.001 1.051 -0.005 6 7
CS carbon monosulfide rC#S 1.535   1.530 -0.005 1 2
H2CS Thioformaldehyde rC=S 1.611   1.606 -0.005 1 2
SiN Silicon nitride rSiN 1.575   1.570 -0.005 1 2
NH4+ ammonium cation rHN 1.029 ±0.000 1.024 -0.005 1 2
CH3ONO Methyl nitrite rCH 1.090   1.085 -0.005 1 3
HClO4 perchloric acid rO=Cl 1.414 ±0.001 1.409 -0.005 1 2
NF nitrogen fluoride rNF 1.317   1.312 -0.005 1 2
CH3CCH propyne rCH 1.096   1.091 -0.005 1 5
C3H4N2 1H-Pyrazole rCH 1.080   1.075 -0.005 3 4
BO boron monoxide rB=O 1.205   1.200 -0.005 1 2
CP Carbon monophosphide rC#P 1.562   1.558 -0.005 1 2
CaC Calcium monocarbide rC#Ca 2.302   2.297 -0.005 1 2
CH3CH2CHO Propanal rCH 1.096   1.092 -0.004 1 5
CH2CO Ketene rCH 1.083   1.078 -0.004 1 4
CaCl calcium monochloride rClCa 2.437   2.433 -0.004 1 2
SCSe Carbon sulfide selenide rC=S 1.553 ±0.002 1.549 -0.004 1 2
CF Fluoromethylidyne rCF 1.276   1.272 -0.004 1 2
CH3CHS Thioacetaldehyde rCH 1.098   1.094 -0.004 2 6
CHF2Cl difluorochloromethane rCF 1.350 ±0.010 1.346 -0.004 1 4
CH3NO3 Methyl nitrate rCH 1.088   1.084 -0.004 5 6
CH3CHO Acetaldehyde rCH 1.114   1.110 -0.004 1 4
C4H8 cyclobutane rCH 1.093   1.090 -0.004 1 5
C4H6S Thiophene, 2,5-dihydro- rCH 1.095   1.091 -0.004 2 6
COBr2 Carbonic dibromide rC=O 1.172 ±0.003 1.168 -0.003 1 2
OH Hydroxyl radical rOH 0.970   0.966 -0.003 1 2
CH3CHFCH3 2-Fluoropropane rCH 1.093 ±0.006 1.090 -0.003 4 8
C3H3NO Oxazole rCO 1.357 ±0.003 1.354 -0.003 1 2
N2O3 Dinitrogen trioxide rN=O 1.202   1.199 -0.003 2 4
O2 Oxygen diatomic rO=O 1.208   1.204 -0.003 1 2
PO2 Phosphorus dioxide rP=O 1.467   1.463 -0.003 1 2
CH3CHFCH3 2-Fluoropropane rCH 1.094 ±0.005 1.091 -0.003 4 10
CH3OC2H5 Ethane, methoxy- rCH 1.092 ±0.007 1.089 -0.003 4 11
C5H8 Cyclobutane, methylene- rCC 1.524   1.521 -0.003 1 3
C6H10 1-Butyne, 3,3-dimethyl- rC#C 1.209 ±0.001 1.206 -0.003 1 6
PH+ phosphorus monohydride cation rPH 1.435   1.432 -0.003 1 2
C4H8O2 Ethyl acetate rCC 1.515   1.512 -0.003 5 6
CH3CHClCH3 Propane, 2-chloro- rCH 1.091   1.088 -0.003 2 5
CCl2O Phosgene rC=O 1.177   1.174 -0.003 1 2
C7H16 heptane rCC 1.534   1.531 -0.003 1 2
PO Phosphorus monoxide rP=O 1.476   1.473 -0.003 1 2
C4H8O2 Ethyl acetate rCC 1.508   1.505 -0.003 1 2
CH3OCHO methyl formate rCH 1.101   1.098 -0.003 3 8
CH3CHS Thioacetaldehyde rCH 1.090   1.087 -0.003 2 5
CH2FCl fluorochloromethane rCH 1.090 ±0.010 1.087 -0.003 1 4
CH2CO Ketene rC=O 1.162   1.159 -0.003 2 3
CH3NC methyl isocyanide rC#N 1.166 ±0.003 1.163 -0.003 2 3
CH2Cl2 Methylene chloride rCH 1.085 ±0.002 1.082 -0.003 1 2
HNCO Isocyanic acid rC=O 1.164   1.161 -0.003 3 4
C3H8 Propane rCH 1.096   1.093 -0.003 1 4
C4H6 Cyclobutene rCC 1.517   1.514 -0.003 1 3
HOI Hypoiodous acid rOH 0.967 ±0.008 0.965 -0.002 1 3
C4H6 Cyclobutene rCH 1.094   1.092 -0.002 3 7
LiOH lithium hydroxide rLiO 1.582   1.579 -0.002 1 2
C6H8 1,4-Cyclohexadiene rCH 1.100   1.098 -0.002 1 11
CH3OCHO methyl formate rCO 1.437   1.435 -0.002 1 2
C3H6 Cyclopropane rCH 1.083   1.081 -0.002 1 4
CHF3 Methane, trifluoro- rCH 1.091 ±0.014 1.089 -0.002 1 2
C2H2O2 Ethanedial rCC 1.526   1.524 -0.002 1 2
HeH+ Helium hydride cation rHHe 0.790   0.788 -0.002 1 2
BH3 boron trihydride rBH 1.190   1.188 -0.002 1 2
C3H7SH 1-Propanethiol rCC 1.529   1.527 -0.002 7 10
CH3SeH Methane selenol rSeH 1.473 ±0.020 1.471 -0.002 1 3
CH2CHCH2CH3 1-Butene rCC 1.536   1.534 -0.002 1 2
H2CSe Selenoformaldehyde rC=Se 1.753   1.752 -0.002 1 2
CH3OCH3 Dimethyl ether rCH 1.099 ±0.001 1.097 -0.002 2 6
C4H8 cyclobutane rCH 1.091   1.089 -0.002 1 6
CH3OC2H5 Ethane, methoxy- rCH 1.100 ±0.003 1.099 -0.001 3 8
C5H8 Bicyclo[2.1.0]pentane rCC 1.565   1.564 -0.001 3 4
SiHCl3 Trichlorosilane rSiH 1.464   1.463 -0.001 1 2
NSe Nitrogen monoselenide rN=Se 1.652   1.650 -0.001 1 2
LiCl lithium chloride rLiCl 2.021 ±0.000 2.019 -0.001 1 2
C6H8 (Z)-hexa-1,3,5-triene rC=C 1.337   1.336 -0.001 3 5
CH3CH2CH2CH3 Butane rCC 1.531   1.530 -0.001 1 2
C4H6 Cyclobutene rCH 1.083   1.082 -0.001 1 5
C3H4O Methylketene rCH 1.083   1.082 -0.001 2 5
C3F6 hexafluoropropene rC=C 1.329 ±0.003 1.328 -0.001 1 2
CH3OCH3 Dimethyl ether rCO 1.411 ±0.001 1.410 -0.001 1 2
CH2O2 Dioxirane rCH 1.090 ±0.002 1.089 -0.001 1 2
CO Carbon monoxide rC#O 1.128 ±0.000 1.127 -0.001 1 2
C2H2 Acetylene rCH 1.063   1.062 -0.001 1 3
CH3CH(NH2)COOH Alanine rCC 1.544   1.543 -0.001 3 4
C4H10O Propane, 2-methoxy- rCH 1.095   1.094 -0.001 1 2
C3H3NO Oxazole rCO 1.370 ±0.002 1.369 -0.001 1 5
C6H5OH phenol rCH 1.082   1.081 -0.001 4 11
CH3I methyl iodide rCH 1.084 ±0.003 1.083 -0.001 1 3
CH3OC2H5 Ethane, methoxy- rCH 1.099 ±0.007 1.098 -0.001 1 6
HSe Selenium monohydride rSeH 1.475 ±0.010 1.474 -0.001 1 2
C2H5F fluoroethane rCH 1.095 ±0.007 1.094 -0.001 1 4
P2H4 Diphosphine rPH 1.417   1.416 -0.001 1 3
CH3ONO Methyl nitrite rN=O 1.182   1.181 -0.001 6 7
HF+ hydrogen fluoride cation rHF 1.014   1.014 -0.001 1 2
C5H5N Pyridine rC:C 1.390   1.389 -0.001 3 5
CH3OCHO methyl formate rCO 1.334   1.333 -0.001 2 3
CH3OCHO methyl formate rCH 1.086   1.086 0.000 1 5
CH3CH(CH3)CH3 Isobutane rCH 1.092   1.092 0.000 3 9
C5H10 2-Pentene, (Z)- rCH 1.092   1.092 0.000 1 2
CH2CHF Ethene, fluoro- rCH 1.082   1.082 0.000 1 4
C2H5N Aziridine rCH 1.083   1.083 0.000 3 5
C6H6 Fulvene rCC 1.476 ±0.008 1.476 0.000 5 6
C3H7SH 1-Propanethiol rCH 1.090   1.090 0.000 8 10
C2H5N Aziridine rCH 1.084   1.084 0.000 3 6
C6H6 Fulvene rCH 1.080 ±0.005 1.080 0.000 5 11
SiH4 Silane rSiH 1.480 ±0.000 1.480 0.000 1 2
C6H5OH phenol rCH 1.084   1.084 0.000 2 9
NS+ nitrogen sulfide cation rNS 1.440   1.440 0.000 1 2
C3H4 cyclopropene rCH 1.088   1.088 0.000 1 6
C3H3NO Oxazole rCH 1.073 ±0.001 1.074 0.000 5 8
HCCCN Cyanoacetylene rCH 1.062 ±0.001 1.063 0.000 4 5
C5H8 Ethenylcyclopropane rCC 1.475   1.475 0.000 1 2
C2H5F fluoroethane rCH 1.091 ±0.007 1.091 0.000 2 6
SiH3F monofluorosilane rSiH 1.476   1.476 0.000 1 3
C10H8 naphthalene rC:C 1.410   1.410 0.000 2 3
C3H3NO Oxazole rCH 1.075 ±0.001 1.076 0.000 4 7
CH3CH2Cl Ethyl chloride rCH 1.086   1.087 0.001 2 7
SiH3Cl chlorosilane rSiH 1.475   1.476 0.001 1 3
AsH Arsenic monohydride rAsH 1.535 ±0.001 1.535 0.001 1 2
BS boron sulfide rBS 1.609   1.610 0.001 1 2
C5H10 Cyclopropane, 1,1-dimethyl- rCC 1.514   1.515 0.001 1 4
CH3CHClCH3 Propane, 2-chloro- rCH 1.092   1.093 0.001 3 6
C3H7SH 1-Propanethiol rCH 1.092   1.093 0.001 5 7
C2H5F fluoroethane rCH 1.090 ±0.007 1.091 0.001 2 7
HCCl Chloromethylene rCCl 1.696 ±0.003 1.697 0.001 1 2
CF3COOH trifluoroacetic acid rC=O 1.192 ±0.003 1.193 0.001 2 4
C6H12 Cyclohexane rCH 1.093   1.094 0.001 1 13
C6H6 Fulvene rCH 1.078 ±0.005 1.079 0.001 3 9
P2H4 Diphosphine rPH 1.414   1.415 0.001 1 4
C3H3NO Oxazole rCH 1.075 ±0.001 1.076 0.001 2 6
C2H5I Ethyl iodide rHC 1.093   1.094 0.001 2 6
HSiCl Chlorosilylene rSiH 1.525 ±0.005 1.526 0.001 1 3
CH3Br methyl bromide rCH 1.082 ±0.001 1.084 0.001 1 3
CH3CCH propyne rCH 1.060   1.061 0.001 3 4
CSe Carbon monoselenide rC=Se 1.676 ±0.000 1.678 0.001 1 2
H2 Hydrogen diatomic rHH 0.741   0.743 0.001 1 2
CH4 Methane rCH 1.087 ±0.001 1.088 0.001 1 2
CH3CHFCH3 2-Fluoropropane rCH 1.092   1.093 0.001 1 3
OPCl Phosphorus oxychloride rP=O 1.462 ±0.011 1.463 0.001 1 2
FNO2 Nitryl fluoride rN=O 1.180 ±0.005 1.181 0.001 1 3
CH3CHO Acetaldehyde rCH 1.086   1.088 0.002 2 5
C2H3Cl Ethene, chloro- rCH 1.079   1.081 0.002 2 5
C4H4N2 1,3-Diazine rCH 1.082   1.084 0.002 2 8
C4H8O2 Ethyl acetate rC=O 1.203   1.205 0.002 2 4
CO+ carbon monoxide cation rC=O 1.115 ±0.000 1.117 0.002 1 2
C5H10 Cyclopropane, 1,1-dimethyl- rCH 1.080   1.082 0.002 2 6
CH3ONO Methyl nitrite rCO 1.437   1.439 0.002 1 2
CaO Calcium monoxide rOCa 1.822   1.824 0.002 1 2
CH3CH2Cl Ethyl chloride rCH 1.090   1.092 0.002 1 3
CH3CHS Thioacetaldehyde rCH 1.089   1.091 0.002 1 4
LiF lithium fluoride rLiF 1.564 ±0.000 1.566 0.002 1 2
CH3CH2CHO Propanal rCC 1.523   1.525 0.002 1 2
C2H2+ acetylene cation rCH 1.077 ±0.005 1.079 0.002 1 3
C4H6O Cyclobutanone rCC 1.556   1.558 0.002 3 5
LiI Lithium Iodide rLiI 2.392 ±0.000 2.394 0.002 1 2
HO2 Hydroperoxy radical rOH 0.971   0.973 0.002 1 3
C3H4 cyclopropene rCH 1.072   1.075 0.003 2 4
ClF Chlorine monofluoride rFCl 1.628 ±0.000 1.631 0.003 1 2
CH Methylidyne rCH 1.120   1.123 0.003 1 2
NH2SH Thiohydroxylamine rSH 1.344 ±0.029 1.347 0.003 2 3
BeS beryllium sulfide rBe=S 1.742   1.744 0.003 1 2
CH3SCH2CH3 Ethane, (methylthio)- rCH 1.087   1.090 0.003 1 2
NaH sodium hydride rNaH 1.887 ±0.000 1.889 0.003 1 2
SiO Silicon monoxide rSiO 1.510 ±0.000 1.513 0.003 1 2
As2 Arsenic diatomic rAs#As 2.103   2.105 0.003 1 2
CH3CH2OH Ethanol rCH 1.088   1.091 0.003 1 5
NH Imidogen rNH 1.036   1.039 0.003 1 2
C3H6 Cyclopropane rCC 1.501   1.504 0.003 1 2
H2O Water rOH 0.958 ±0.000 0.961 0.003 1 2
PS phosphorus sulfide rP=S 1.900   1.903 0.003 1 2
BeH2 beryllium dihydride rBeH 1.326 ±0.000 1.329 0.003 1 2
CH3OC2H5 Ethane, methoxy- rCH 1.086 ±0.010 1.089 0.003 1 5
CH3CSNH2 Ethanethioamide rC=S 1.647 ±0.002 1.650 0.003 1 2
CH3CHFCH3 2-Fluoropropane rCH 1.088 ±0.006 1.091 0.003 4 6
HOBr Hypobromous acid rOH 0.961   0.964 0.003 1 2
CH2CHF Ethene, fluoro- rCH 1.077   1.080 0.003 2 5
CH3OCH3 Dimethyl ether rCH 1.085 ±0.001 1.088 0.003 2 4
DO Hydroxyl-d rDO 0.970   0.973 0.003 1 2
CH3OC2H5 Ethane, methoxy- rCH 1.089 ±0.008 1.093 0.004 4 10
NH+ imidogen cation rNH 1.070 ±0.001 1.074 0.004 1 2
C5H8 Bicyclo[2.1.0]pentane rCC 1.528   1.532 0.004 1 3
CH3NHCH3 Dimethylamine rCH 1.098   1.102 0.004 3 5
HOCl hypochlorous acid rClO 1.697 ±0.001 1.701 0.004 1 3
TeO Tellurium monoxide rO=Te 1.825   1.829 0.004 1 2
C2H3 vinyl rCH 1.085   1.089 0.004 2 4
DF Hydrofluoric acid-d rDF 0.917 ±0.000 0.921 0.004 1 2
CrH Chromium hydride rHCr 1.655 ±0.001 1.659 0.004 1 2
CSe2 Carbon diselenide rC=Se 1.692 ±0.000 1.696 0.004 1 2
C4H4N2 1,3-Diazine rC:N 1.328   1.332 0.004 2 6
C4H8O2 Ethyl acetate rCO 1.345   1.349 0.004 2 3
C4H10O Ethoxy ethane rCC 1.517   1.521 0.004 2 4
HOI Hypoiodous acid rOI 1.994 ±0.000 1.999 0.004 1 2
C2 Carbon diatomic rC=C 1.243   1.247 0.004 1 2
C6H6 Fulvene rCC 1.470 ±0.004 1.474 0.004 1 3
C5H8 1,3-Butadiene, 2-methyl- rCC 1.463   1.468 0.005 2 3
Si(CH3)4 tetramethylsilane rSiC 1.875 ±0.002 1.880 0.005 1 2
C2H5F fluoroethane rCC 1.505 ±0.007 1.510 0.005 1 2
C5H8O Methyl cyclopropyl ketone rCC 1.510   1.515 0.005 2 3
HNO3 Nitric acid rNO 1.406   1.411 0.005 1 2
CH3CH2O Ethoxy radical rCH 1.085   1.090 0.005 1 5
F2SO Thionyl Fluoride rFS 1.585 ±0.000 1.590 0.005 1 3
C2HF3 Trifluoroethylene rCF 1.316 ±0.011 1.321 0.005 1 3
ICN Cyanogen iodide rCI 1.992 ±0.000 1.997 0.005 1 2
HF Hydrogen fluoride rHF 0.917 ±0.000 0.922 0.005 1 2
SSO Disulfur monoxide rS=O 1.456   1.461 0.005 1 2
C4H4N2 1,3-Diazine rCH 1.079   1.084 0.005 3 9
CHClCCl2 Trichloroethylene rCCl 1.720   1.725 0.005 2 5
C6H5OH phenol rCO 1.364   1.369 0.005 1 7
HS- mercapto anion rSH 1.343   1.348 0.005 1 2
NaLi lithium sodium rLiNa 2.889   2.894 0.005 1 2
CH3NH2 methyl amine rCH 1.093 ±0.000 1.098 0.005 1 3
BeH beryllium monohydride rBeH 1.343   1.348 0.005 1 2
ClCN chlorocyanogen rCCl 1.629   1.634 0.005 1 2
PH phosphorus monohydride rPH 1.422   1.428 0.005 1 2
MgS magnesium sulfide rMgS 2.143   2.148 0.005 1 2
HS Mercapto radical rSH 1.341   1.347 0.006 1 2
C5H8O 2H-Pyran, 3,4-dihydro- rCC 1.516   1.522 0.006 10 13
CH3SCH2CH3 Ethane, (methylthio)- rCH 1.097   1.103 0.006 5 6
C8H8 cyclooctatetraene rCC 1.470 ±0.001 1.476 0.006 1 5
BCl boron monochloride rBCl 1.719 ±0.000 1.725 0.006 1 2
C3H4O Methylketene rCH 1.083   1.089 0.006 3 6
C6H5OH phenol rCH 1.076   1.082 0.006 3 10
HOBr Hypobromous acid rBrO 1.834   1.840 0.006 2 3
DS Mercapto-d rSD 1.341   1.347 0.006 1 2
DCl Hydrochloric acid-d rDCl 1.275 ±0.000 1.281 0.006 1 2
CH3OCl methyl hypochlorite rCH 1.086 ±0.018 1.092 0.006 3 5
SCSe Carbon sulfide selenide rC=Se 1.695 ±0.002 1.701 0.006 1 3
HCl Hydrogen chloride rHCl 1.275 ±0.000 1.281 0.006 1 2
C4H8O2 1,3-Dioxane rCO 1.393   1.399 0.006 1 2
CH3CH2O Ethoxy radical rCH 1.086   1.092 0.006 1 4
CH3NHCH3 Dimethylamine rCH 1.084   1.090 0.006 3 9
CH2F2 Methane, difluoro- rCH 1.084 ±0.003 1.090 0.006 1 2
SiH3+ Silyl cation rSiH 1.460 ±0.010 1.466 0.006 1 2
HI Hydrogen iodide rHI 1.609 ±0.000 1.616 0.006 1 2
HI+ Hydrogen iodide cation rHI 1.632 ±0.000 1.639 0.007 1 2
CH3SCH2CH3 Ethane, (methylthio)- rCH 1.090   1.097 0.007 9 11
OCSe Carbonyl selenide rC=Se 1.709   1.716 0.007 1 3
CH2C(CH3)OCH3 1-Propene, 2-methoxy- rCO 1.416   1.423 0.007 1 5
OH- hydroxide anion rOH 0.964   0.971 0.007 1 2
MgOH magnesium hydroxide rMgO 1.767   1.774 0.007 1 2
F2SO Thionyl Fluoride rO=S 1.413 ±0.000 1.420 0.007 1 2
LiBr Lithium Bromide rLiBr 2.170 ±0.000 2.178 0.007 1 2
CH2ClCH2Cl Ethane, 1,2-dichloro- rCCl 1.790   1.797 0.007 1 3
C5H7N Cyclobutanecarbonitrile rCC 1.551   1.558 0.007 3 6
SiH2F2 difluorosilane rSiH 1.462   1.469 0.008 1 4
AlN Aluminum nitride rN#Al 1.786   1.794 0.008 1 2
C4H6O Cyclobutanone rCC 1.527   1.535 0.008 2 3
PF phosphorus monofluoride rFP 1.593   1.600 0.008 1 2
CH3SCH2CH3 Ethane, (methylthio)- rCH 1.089   1.097 0.008 9 10
GeO Germanium monoxide rOGe 1.625   1.633 0.008 1 2
CCl2 dichloromethylene rCCl 1.711   1.719 0.008 1 2
CH2CHCH2CH3 1-Butene rCC 1.493   1.501 0.008 2 3
SiH Silylidyne rSiH 1.520   1.529 0.008 1 2
TeH Telluryl radical rHTe 1.656 ±0.000 1.664 0.009 1 2
SiS silicon monosulfide rSiS 1.929 ±0.000 1.938 0.009 1 2
NS Mononitrogen monosulfide rNS 1.497 ±0.000 1.506 0.009 1 2
LiH Lithium Hydride rLiH 1.595 ±0.000 1.604 0.009 1 2
SeO Selenium monoxide rSeO 1.639 ±0.001 1.648 0.009 1 2
SO Sulfur monoxide rS=O 1.481   1.490 0.009 1 2
C8H8 cyclooctatetraene rCH 1.079 ±0.001 1.088 0.009 1 9
MgF Magnesium monofluoride rMgF 1.750   1.759 0.009 1 2
SeO2 Selenium dioxide rSeO 1.607 ±0.001 1.616 0.009 1 2
MgOH magnesium hydroxide rOH 0.940   0.949 0.009 1 3
SiF silicon monofluoride rSiF 1.604   1.613 0.009 1 2
C5H10 2-Pentene, (Z)- rCC 1.490   1.499 0.009 8 14
NH2CONH2 Urea rNH 0.998   1.007 0.009 4 8
BeF Beryllium monofluoride rBeF 1.361   1.370 0.009 1 2
CuH Copper monohydride rCuH 1.463   1.472 0.009 1 2
AlS Aluminum sulfide rAlS 2.029   2.038 0.009 1 2
SOF4 Sulfur tetrafluoride oxide rFS 1.596 ±0.003 1.605 0.009 1 3
SO+ sulfur monoxide cation rO=S 1.424   1.433 0.009 1 2
NaBr Sodium Bromide rNaBr 2.502 ±0.000 2.512 0.010 1 2
H2Te Hydrogen Telluride rHTe 1.651 ±0.000 1.661 0.010 1 2
SF Monosulfur monofluoride rSF 1.599   1.609 0.010 1 2
H2Se Hydrogen selenide rSeH 1.460   1.470 0.010 1 2
CH3CH2OH Ethanol rCH 1.086   1.096 0.010 2 8
CF3COOH trifluoroacetic acid rCC 1.546 ±0.005 1.556 0.010 1 2
HBr+ hydrogen bromide cation rHBr 1.448   1.459 0.010 1 2
HBr hydrogen bromide rHBr 1.414 ±0.000 1.425 0.011 1 2
MgH+ magnesium monohydride cation rMgH 1.652   1.663 0.011 1 2
BF3 Borane, trifluoro- rBF 1.307   1.318 0.011 1 2
AlNC Aluminum isocyanide rAlN 1.855 ±0.005 1.866 0.011 1 2
C3H7N Cyclopropylamine rCH 1.080   1.091 0.011 1 2
PF5 Phosphorus pentafluoride rFP 1.577   1.588 0.011 1 5
SiH+ silicon monohydride cation rSiH 1.504   1.515 0.011 1 2
CH2F2 Methane, difluoro- rCF 1.351 ±0.001 1.362 0.011 1 4
SiH3F monofluorosilane rSiF 1.595   1.606 0.012 1 2
CHClCCl2 Trichloroethylene rCCl 1.712   1.724 0.012 2 6
BrF5 bromine pentafluoride rFBr 1.774 ±0.003 1.786 0.012 1 3
CHF3 Methane, trifluoro- rCF 1.328 ±0.003 1.340 0.012 1 3
AlH aluminum monohydride rAlH 1.648   1.660 0.012 1 2
C2H6O2S Dimethyl sulfone rCS 1.777 ±0.006 1.789 0.012 1 4
HCl+ hydrogen chloride cation rHCl 1.315   1.327 0.012 1 2
CH3OC2H5 Ethane, methoxy- rCO 1.407 ±0.004 1.419 0.012 2 3
KrH+ Protonated Krypton rHKr 1.421 ±0.000 1.433 0.012 1 2
C2H6O2S Dimethyl sulfone rS=O 1.431 ±0.004 1.443 0.012 1 2
BrO Bromine monoxide rOBr 1.718   1.730 0.012 1 2
MgH magnesium monohydride rMgH 1.730   1.742 0.012 1 2
SSO Disulfur monoxide rS=S 1.884   1.897 0.012 2 3
SOF4 Sulfur tetrafluoride oxide rFS 1.539 ±0.003 1.552 0.013 1 5
C4H4N2 Pyridazine rCH 1.064   1.077 0.013 1 5
C3O2 Carbon suboxide rC=O 1.146   1.159 0.013 2 4
CH3CH2O Ethoxy radical rCH 1.088   1.101 0.013 2 7
AsH3 Arsine rAsH 1.511 ±0.000 1.524 0.014 1 2
SbH3 Stibine rSbH 1.700 ±0.000 1.714 0.014 1 2
CH2Cl2 Methylene chloride rCCl 1.767 ±0.002 1.781 0.014 1 4
Cl2+ chlorine diatomic cation rClCl 1.892   1.906 0.014 1 2
CBr4 Carbon tetrabromide rCBr 1.942 ±0.002 1.956 0.014 1 2
C4H10O Propane, 2-methoxy- rCO 1.422   1.436 0.014 5 14
S2 Sulfur diatomic rS=S 1.889   1.904 0.014 1 2
HSSSH trisulfane rSS 2.054 ±0.000 2.068 0.015 1 2
CH2I2 Diiodomethane rCH 1.066 ±0.015 1.081 0.015 1 4
IF Iodine monofluoride rFI 1.910   1.924 0.015 1 2
PF2 Phosphorus difluoride rPF 1.579   1.594 0.015 1 2
HClO4 perchloric acid rO=Cl 1.404 ±0.001 1.419 0.015 1 4
Cl2 Chlorine diatomic rClCl 1.988   2.003 0.015 1 2
S2+ sulfur diatomic cation rS=S 1.825 ±0.010 1.840 0.015 1 2
CFCl3 Trichloromonofluoromethane rCCl 1.764 ±0.001 1.779 0.016 1 3
PF5 Phosphorus pentafluoride rPF 1.534   1.550 0.016 1 2
SiH3Cl chlorosilane rSiCl 2.051   2.066 0.016 1 2
BrF Bromine monofluoride rFBr 1.759 ±0.000 1.775 0.016 1 2
AsF Arsenic monofluoride rFAs 1.736 ±0.001 1.752 0.016 1 2
C3H5 Allyl radical rCH 1.069   1.085 0.016 1 2
NO- nitric oxide anion rN=O 1.258 ±0.010 1.274 0.016 1 2
CCl carbon monochloride rCCl 1.649   1.666 0.016 1 2
AlF Aluminum monofluoride rAlF 1.654 ±0.000 1.671 0.017 1 2
N(CH3)3 Trimethylamine rCH 1.088   1.105 0.017 2 5
CH3CH(NH2)COOH Alanine rCC 1.509   1.526 0.017 2 3
PCl5 Phosphorus pentachloride rPCl 2.020   2.038 0.018 1 2
GeH germylidene rGeH 1.588   1.606 0.018 1 2
NaCl Sodium Chloride rNaCl 2.361 ±0.000 2.379 0.018 1 2
As4 Arsenic tetramer rAsAs 2.435   2.453 0.018 1 2
C2H Ethynyl radical rCH 1.047   1.064 0.018 1 3
CaBr Calcium monobromide rCaBr 2.594 ±0.000 2.612 0.018 1 2
IO Iodine monoxide rIO 1.868 ±0.004 1.886 0.018 1 2
C5H8 Bicyclo[2.1.0]pentane rCC 1.507   1.525 0.018 1 2
SCl2 Sulfur dichloride rSCl 2.013 ±0.001 2.031 0.019 1 2
SiF2 Silicon difluoride rFSi 1.590 ±0.000 1.609 0.019 1 2
GeH3F monofluorogermane rGeH 1.515 ±0.000 1.533 0.019 1 3
CuF Copper monofluoride rCuF 1.745 ±0.000 1.764 0.019 1 2
CH2Br2 dibromomethane rCBr 1.925 ±0.002 1.945 0.020 1 4
KH Potassium hydride rKH 2.243 ±0.001 2.262 0.020 1 2
CuO Copper Monoxide rCuO 1.724 ±0.000 1.744 0.020 1 2
CCl2O Phosgene rCCl 1.737   1.756 0.020 2 3
BeCl beryllium monochloride rBeCl 1.797   1.817 0.020 1 2
SiH2Cl2 dichlorosilane rSiCl 2.033 ±0.003 2.053 0.020 1 4
SeCl2 Selenium Dichloride rClSe 2.157 ±0.003 2.177 0.020 1 2
PCl phosphorus chloride rPCl 2.018   2.038 0.020 1 2
C5H10 2-Pentene, (E)- rCC 1.484   1.505 0.021 4 11
SF4 Sulfur tetrafluoride rSF 1.545 ±0.003 1.566 0.021 1 4
BrF3 Bromine trifluoride rFBr 1.810 ±0.000 1.831 0.021 1 3
CH3I methyl iodide rCI 2.136 ±0.002 2.157 0.021 1 2
GeS Germanium monosulfide rS=Ge 2.012 ±0.000 2.033 0.021 1 2
P2+ phosphorus diatomic cation rPP 1.986   2.007 0.021 1 2
C3O2 Carbon suboxide rC=C 1.251   1.272 0.021 1 2
SF4 Sulfur tetrafluoride rSF 1.646 ±0.003 1.668 0.022 1 2
BrF3 Bromine trifluoride rFBr 1.721   1.743 0.022 1 2
Se2 Selenium diatomic rSe=Se 2.166 ±0.001 2.188 0.022 1 2
GeF+ Germanium monofluoride cation rFGe 1.665 ±0.000 1.688 0.022 1 2
SCl sulfur monochloride rSCl 1.975   1.998 0.022 1 2
SiCl Clorosilylidyne rSiCl 2.061 ±0.000 2.084 0.022 1 2
AlC Aluminum carbide rC=Al 1.955   1.978 0.023 1 2
C3H8O2 Methane, dimethoxy- rCO 1.382   1.405 0.023 1 4
CaOH Calcium monohydroxide rOH 0.930 ±0.007 0.953 0.023 2 3
ClOF3 Chlorine trifluoride oxide rFCl 1.713 ±0.003 1.736 0.023 1 4
GeH3F monofluorogermane rGeF 1.731 ±0.000 1.754 0.023 1 2
CH3Br methyl bromide rCBr 1.934 ±0.000 1.957 0.023 1 2
SeS Selenium monosulfide rS=Se 2.037 ±0.001 2.060 0.023 1 2
CH2FCl fluorochloromethane rCCl 1.762 ±0.000 1.785 0.023 1 3
CI4 tetraiodomethane rCI 2.157 ±0.010 2.180 0.023 1 2
ICl Iodine monochloride rClI 2.321 ±0.000 2.345 0.024 1 2
CH2C(CH3)OCH3 1-Propene, 2-methoxy- rCO 1.353   1.377 0.024 5 10
GeF Germanium monofluoride rFGe 1.745   1.770 0.025 1 2
O2+ diatomic oxygen cation rOO 1.116   1.141 0.025 1 2
AlO Aluminum monoxide rAlO 1.618   1.644 0.026 1 2
C5H8O Cyclopentanone rCC 1.504   1.530 0.026 2 3
GaF Gallium monofluoride rFGa 1.774 ±0.000 1.800 0.026 1 2
CHBr3 bromoform rCBr 1.924 ±0.005 1.950 0.026 1 3
SiHCl3 Trichlorosilane rSiCl 2.020   2.047 0.027 1 3
SiI4 silicon tetraiodide rSiI 2.432 ±0.005 2.459 0.027 1 2
CH3COCl Acetyl Chloride rCCl 1.798   1.825 0.027 1 4
HSiCl Chlorosilylene rSiCl 2.067 ±0.003 2.094 0.027 1 2
SiBr+ Silicon monobromide cation rSiBr 2.095 ±0.000 2.122 0.027 1 2
AlH+ aluminum monohydride cation rAlH 1.602   1.629 0.027 1 2
MgCl magnesium monochloride rMgCl 2.199   2.227 0.028 1 2
CuCl Copper monochloride rCuCl 2.051 ±0.000 2.079 0.028 1 2
C2Cl2 dichloroacetylene rCCl 1.612 ±0.030 1.640 0.028 1 3
XeF4 Xenon tetrafluoride rFXe 1.935 ±0.000 1.963 0.029 1 2
C5H10 2-Pentene, (Z)- rCH 1.058   1.087 0.029 12 13
C3H4O Cyclopropanone rCC 1.575   1.604 0.029 3 4
BrCl Bromine monochloride rClBr 2.136 ±0.000 2.165 0.029 1 2
ClFO3 Perchloryl fluoride rCl=O 1.400   1.429 0.029 2 3
I2 Iodine diatomic rII 2.665   2.695 0.030 1 2
KF Potassium Fluoride rKF 2.171 ±0.000 2.201 0.030 1 2
PCl5 Phosphorus pentachloride rPCl 2.124   2.155 0.031 1 5
XeF2 Xenon difluoride rFXe 1.974 ±0.000 2.005 0.031 1 2
IBr Iodine monobromide rBrI 2.469 ±0.000 2.500 0.031 1 2
OPCl Phosphorus oxychloride rPCl 2.059 ±0.004 2.090 0.032 1 3
CHF2Cl difluorochloromethane rCCl 1.747 ±0.010 1.779 0.032 1 3
GeCl Germanium monochloride rClGe 2.164 ±0.000 2.196 0.033 1 2
Cu2 Copper diatomic rCuCu 2.220   2.253 0.033 1 2
Br2 Bromine diatomic rBrBr 2.281   2.316 0.035 1 2
GeBr4 Germanium tetrabromide rGeBr 2.272 ±0.001 2.307 0.035 1 2
CBrClF2 Methane, bromochlorodifluoro- rCBr 1.932 ±0.004 1.968 0.036 1 2
AsF3 Arsenic trifluoride rAsF 1.706 ±0.002 1.744 0.038 1 2
CH2NN diazomethane rN=N 1.139   1.177 0.038 2 3
PF+ phosphorus monofluoride cation rFP 1.500   1.538 0.038 1 2
AlI Aluminum monoiodide rAlI 2.537 ±0.000 2.575 0.038 1 2
KCl Potassium Chloride rKCl 2.667 ±0.000 2.705 0.038 1 2
BrF5 bromine pentafluoride rFBr 1.689 ±0.008 1.729 0.040 1 2
Li2 Lithium diatomic rLiLi 2.673   2.714 0.041 1 2
AlBr Aluminum monobromide rAlBr 2.295   2.336 0.041 1 2
CFCl chlorofluoromethylene rCCl 1.714   1.756 0.042 1 3
NCl nitrogen monochloride rNCl 1.611 ±0.000 1.654 0.043 1 2
NH3BF3 Amminetrifluoroboron rBN 1.673   1.719 0.046 1 2
GaBr Gallium monobromide rGaBr 2.352 ±0.000 2.400 0.048 1 2
KBr Potassium Bromide rKBr 2.821 ±0.000 2.869 0.048 1 2
ClOF3 Chlorine trifluoride oxide rFCl 1.603 ±0.004 1.657 0.054 1 3
GaAs Gallium arsenide rGa#As 2.530 ±0.020 2.586 0.056 1 2
C4H10O Ethoxy ethane rCO 1.411   1.469 0.058 1 2
C4H8O2 Ethyl acetate rCO 1.448   1.512 0.064 5 6
ClFO3 Perchloryl fluoride rFCl 1.598   1.662 0.064 1 2
H2Cl+ dihydrogen monochloride cation rHCl 1.321 ±0.000 1.389 0.068 1 2
NO+ nitric oxide cation rN=O 1.066   1.141 0.076 1 2
He2+ helium diatomic cation rHeHe 1.081 ±0.001 1.159 0.078 1 2
NO3 Nitrogen trioxide rNO 1.238   1.349 0.111 1 2
ArH+ Argon hydride cation rArH 1.292 ±0.000 1.441 0.149 1 2
SiF4 Silicon tetrafluoride rSiF 1.554   1.713 0.159 1 2
AsF5 Arsenic pentafluoride rAsF 1.656 ±0.004 1.835 0.179 1 2
AsF5 Arsenic pentafluoride rAsF 1.711 ±0.005 1.920 0.209 1 5
Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- rAlCl 2.040 ±0.040 2.290 0.250 1 3
AlCl Aluminum monochloride rAlCl 2.130 ±0.000 2.420 0.289 1 2
C4H10O Methyl propyl ether rCH 1.099   1.409 0.310 1 2
CaF Calcium monofluoride rFCa 1.967 ±0.001 2.280 0.313 1 2
587 molecules.