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Average Bond Length Differences by Model Chemistry

Calculated at MP2/Def2TZVPP

Species Name Bond type Bond Length (Å)
Experimental unc. Calculated Difference atom1 atom2
C4H10O Methyl propyl ether rCC 1.530   1.090 -0.440 5 13
CH3SCH2CH3 Ethane, (methylthio)- rCS 1.804   1.635 -0.169 5 8
CH3SCH2CH3 Ethane, (methylthio)- rCS 1.804   1.636 -0.168 8 9
B2 Boron diatomic rBB 1.590   1.439 -0.151 1 2
SiC silicon monocarbide rCSi 1.722   1.630 -0.092 1 2
SiP Silicon monophosphide rSiP 2.078 ±0.002 1.988 -0.089 1 2
Si2 Silicon diatomic rSiSi 2.246   2.158 -0.088 1 2
LiCl- lithium chloride anion rLiCl 2.180   2.115 -0.065 1 2
FNO2 Nitryl fluoride rNF 1.467 ±0.015 1.402 -0.065 1 2
SiN Silicon nitride rSiN 1.575   1.515 -0.060 1 2
C2H Ethynyl radical rC#C 1.217   1.159 -0.058 1 2
CO+ carbon monoxide cation rC=O 1.115 ±0.000 1.059 -0.056 1 2
C5H10 2-Pentene, (E)- rCC 1.576   1.521 -0.055 11 15
BH Boron monohydride rBH 1.232   1.183 -0.049 1 2
C6H6 Fulvene rCH 1.130 ±0.030 1.082 -0.048 2 7
C5H6 Bicyclo[2.1.0]pent-2-ene rCC 1.560   1.513 -0.047 3 5
CN Cyano radical rC#N 1.172   1.126 -0.046 1 2
C4H6 Methylenecyclopropane rCC 1.457   1.412 -0.045 2 5
CH3NO3 Methyl nitrate rNO 1.402   1.361 -0.041 1 4
C5H8O Methyl cyclopropyl ketone rCH 1.126   1.085 -0.041 3 7
CH3ONO Methyl nitrite rNO 1.398   1.358 -0.040 2 6
ClO Monochlorine monoxide rClO 1.596 ±0.001 1.556 -0.040 1 2
C5H8 Bicyclo[2.1.0]pentane rCC 1.536   1.497 -0.039 1 5
C4H10O Ethoxy ethane rCH 1.100   1.062 -0.038 2 6
NH2F monofluoroamine rNF 1.433   1.395 -0.038 1 2
C4H5N Cyclopropanecarbonitrile rCC 1.472   1.434 -0.038 6 8
C6H5OCH3 Anisole rCO 1.399   1.364 -0.035 1 7
C2Cl2 dichloroacetylene rC#C 1.246 ±0.030 1.212 -0.034 1 2
C5H10 2-Pentene, (Z)- rCC 1.561   1.528 -0.033 1 5
C2H2O2 Ethanedial rCH 1.132   1.101 -0.031 1 3
CH2O2 Dioxirane rOO 1.516 ±0.003 1.488 -0.028 4 5
C4H10O Ethoxy ethane rCH 1.092   1.064 -0.028 4 10
HClO4 perchloric acid rOCl 1.641 ±0.002 1.614 -0.027 1 3
CH2ClCH2Cl Ethane, 1,2-dichloro- rCH 1.112   1.085 -0.027 1 5
C7H16 heptane rCH 1.121 ±0.007 1.095 -0.026 1 8
Si(CH3)4 tetramethylsilane rCH 1.115 ±7.000 1.090 -0.025 2 6
CH3CH2CH2CH3 Butane rCH 1.117   1.092 -0.025 1 5
PO- phosphorus monoxide anion rOP 1.540   1.515 -0.025 1 2
C4H4N2 Succinonitrile rCC 1.561   1.536 -0.025 1 2
CH3OCl methyl hypochlorite rCH 1.111 ±0.018 1.086 -0.025 3 4
CH2NN diazomethane rCH 1.075   1.051 -0.024 1 4
C4H5NO 3-Methylisoxazole rCC 1.514   1.489 -0.024 1 8
C4H10O Ethoxy ethane rCH 1.090   1.067 -0.023 4 12
BH+ boron monohydride cation rBH 1.215   1.192 -0.023 1 2
C5H5N Bicyclo[1.1.0]butane-1-carbonitrile rCC 1.514   1.491 -0.023 3 9
C4H5NO Isoxazole, 5-methyl- rCC 1.505   1.483 -0.023 1 5
FO Oxygen monofluoride rFO 1.354   1.332 -0.022 1 2
C6H12 (E)-3-methylpent-2-ene rCC 1.551   1.529 -0.022 9 12
CH3SeH Methane selenol rSeH 1.473 ±0.020 1.451 -0.022 1 3
CH2ClCH2Cl Ethane, 1,2-dichloro- rCC 1.531   1.509 -0.022 1 2
C4H8O2 Ethyl acetate rCH 1.105   1.084 -0.021 1 7
I2 Iodine diatomic rII 2.665   2.644 -0.021 1 2
C3F6 hexafluoropropene rCF 1.329 ±0.003 1.308 -0.021 1 4
ICN Cyanogen iodide rCI 1.992 ±0.000 1.971 -0.021 1 2
C5H6 Propellane rCC 1.596 ±0.005 1.575 -0.021 2 5
SiI4 silicon tetraiodide rSiI 2.432 ±0.005 2.411 -0.021 1 2
N(CH3)3 Trimethylamine rCH 1.109   1.089 -0.020 2 8
H2Cl+ dihydrogen monochloride cation rHCl 1.321 ±0.000 1.300 -0.020 1 2
CH3I methyl iodide rCI 2.136 ±0.002 2.116 -0.020 1 2
LiO lithium oxide rLiO 1.688   1.668 -0.020 1 2
LiOH lithium hydroxide rOH 0.969   0.949 -0.020 1 3
CH3COCl Acetyl Chloride rCH 1.105   1.085 -0.020 2 5
HO2 Hydroperoxy radical rOO 1.331   1.311 -0.020 1 2
C3H5ClO Oxirane, (chloromethyl)- rCC 1.475   1.456 -0.019 3 4
AsH Arsenic monohydride rAsH 1.535 ±0.001 1.515 -0.019 1 2
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
D2 Deuterium diatomic rDD 0.742   0.723 -0.019 1 2
HD Deuterium hydride rDH 0.741   0.723 -0.019 1 2
C5H9N Pentanenitrile rCC 1.478   1.459 -0.019 4 6
C5H6 Bicyclo[2.1.0]pent-2-ene rCC 1.530   1.511 -0.019 1 3
C6H8 (Z)-hexa-1,3,5-triene rC=C 1.368   1.349 -0.019 1 2
HI+ Hydrogen iodide cation rHI 1.632 ±0.000 1.613 -0.019 1 2
HI Hydrogen iodide rHI 1.609 ±0.000 1.590 -0.019 1 2
C4H5N Cyclopropanecarbonitrile rCC 1.513   1.495 -0.018 9 10
HS+ sulfur monohydride cation rSH 1.374   1.356 -0.018 1 2
HSe Selenium monohydride rSeH 1.475 ±0.010 1.457 -0.018 1 2
CI4 tetraiodomethane rCI 2.157 ±0.010 2.139 -0.018 1 2
F2O Difluorine monoxide rFO 1.405   1.387 -0.018 1 2
TeH Telluryl radical rHTe 1.656 ±0.000 1.638 -0.018 1 2
NO Nitric oxide rN=O 1.154 ±0.000 1.136 -0.018 1 2
H2Te Hydrogen Telluride rHTe 1.651 ±0.000 1.634 -0.017 1 2
PH+ phosphorus monohydride cation rPH 1.435   1.418 -0.017 1 2
CH3OC2H5 Ethane, methoxy- rCO 1.415 ±0.005 1.398 -0.017 1 2
C5H8 Ethenylcyclopropane rCH 1.099   1.082 -0.017 1 6
C9H8 Indene rCC 1.415 ±0.170 1.398 -0.017 1 2
SbH3 Stibine rSbH 1.700 ±0.000 1.683 -0.017 1 2
C5H5N Bicyclo[1.1.0]butane-1-carbonitrile rCC 1.518   1.501 -0.017 3 7
NSe Nitrogen monoselenide rN=Se 1.652   1.635 -0.017 1 2
CH3CH2CHO Propanal rCH 1.103   1.087 -0.016 1 6
C3H6O Propylene oxide rCC 1.513   1.497 -0.016 2 6
C6H5OCH3 Anisole rCO 1.433   1.417 -0.016 7 8
ArH+ Argon hydride cation rArH 1.292 ±0.000 1.276 -0.016 1 2
C2H5F fluoroethane rCF 1.398 ±0.007 1.382 -0.016 1 3
SiH2Cl2 dichlorosilane rSiH 1.480 ±0.015 1.464 -0.016 1 2
HCCl Chloromethylene rCH 1.119 ±0.036 1.103 -0.016 1 3
HeH+ Helium hydride cation rHHe 0.790   0.774 -0.015 1 2
B2H6 Diborane rBH 1.200   1.185 -0.015 1 5
C5H6 Propellane rCC 1.525 ±0.002 1.510 -0.015 1 2
C5H6 1-Buten-3-yne, 2-methyl- rCC 1.445   1.430 -0.015 7 8
HOBr Hypobromous acid rBrO 1.834   1.819 -0.015 2 3
CH3ONO Methyl nitrite rCH 1.102   1.087 -0.015 1 4
SeCl2 Selenium Dichloride rClSe 2.157 ±0.003 2.142 -0.015 1 2
C4H6 Bicyclo[1.1.0]butane rCC 1.497   1.482 -0.015 1 2
IBr Iodine monobromide rBrI 2.469 ±0.000 2.455 -0.014 1 2
HF+ hydrogen fluoride cation rHF 1.014   1.000 -0.014 1 2
CuH Copper monohydride rCuH 1.463   1.448 -0.014 1 2
ICl Iodine monochloride rClI 2.321 ±0.000 2.307 -0.014 1 2
CBr4 Carbon tetrabromide rCBr 1.942 ±0.002 1.928 -0.014 1 2
CH2FCl fluorochloromethane rCF 1.370 ±0.001 1.356 -0.014 1 2
As4 Arsenic tetramer rAsAs 2.435   2.421 -0.014 1 2
CH2NH Methanimine rCH 1.103   1.090 -0.013 1 3
CH2CHCH2CH2Cl 1-Butene, 4-chloro- rCC 1.508   1.495 -0.013 2 6
CH3COCl Acetyl Chloride rCC 1.506   1.493 -0.013 1 2
C5H8 Cyclopentene rCC 1.518   1.505 -0.013 2 4
CH3COCH2CH3 2-Butanone rCC 1.531   1.518 -0.013 3 4
HCCl Chloromethylene rCCl 1.696 ±0.003 1.683 -0.013 1 2
F2 Fluorine diatomic rFF 1.412   1.399 -0.013 1 2
C5H8 1,3-Butadiene, 2-methyl- rCC 1.512   1.500 -0.012 2 5
C3H8O2 Methane, dimethoxy- rCO 1.432   1.420 -0.012 4 6
HOI Hypoiodous acid rOI 1.994 ±0.000 1.982 -0.012 1 2
C4H4N2 1,3-Diazine rC:N 1.350   1.338 -0.012 3 5
HSiCl Chlorosilylene rSiH 1.525 ±0.005 1.513 -0.012 1 3
CH3CH(NH2)COOH Alanine rCC 1.544   1.532 -0.012 3 4
CH3NO3 Methyl nitrate rCH 1.095   1.083 -0.012 5 8
AlH+ aluminum monohydride cation rAlH 1.602   1.590 -0.012 1 2
C5H12O Butane, 1-methoxy- rCO 1.415   1.403 -0.012 3 4
CH3CH2CHO Propanal rCH 1.115   1.103 -0.012 3 10
C8H8 cubane rCH 1.097   1.086 -0.011 1 9
BrF5 bromine pentafluoride rFBr 1.774 ±0.003 1.763 -0.011 1 3
C2H3Cl Ethene, chloro- rCH 1.090   1.079 -0.011 1 4
C2H2O2 Ethanedial rCC 1.526   1.515 -0.011 1 2
CH3CH2CHO Propanal rCH 1.105   1.094 -0.011 2 8
N3 azide radical rNN 1.181   1.170 -0.011 1 2
CH2ClCH2Cl Ethane, 1,2-dichloro- rCCl 1.790   1.779 -0.011 1 3
CH2 Methylene rCH 1.085   1.074 -0.011 1 2
B2H6 Diborane rBH 1.320   1.309 -0.011 1 3
CH3CH2OH Ethanol rCH 1.098   1.088 -0.010 1 6
BrO Bromine monoxide rOBr 1.718   1.707 -0.010 1 2
H2Se Hydrogen selenide rSeH 1.460   1.450 -0.010 1 2
NH2SH Thiohydroxylamine rSH 1.344 ±0.029 1.334 -0.010 2 3
CH3Br methyl bromide rCBr 1.934 ±0.000 1.924 -0.010 1 2
N2O3 Dinitrogen trioxide rN=O 1.217   1.207 -0.010 2 5
CFCl3 Trichloromonofluoromethane rCF 1.345 ±0.003 1.335 -0.010 1 2
C5H5N Pyridine rC:C 1.400   1.390 -0.010 2 5
HClO4 perchloric acid rOH 0.980   0.970 -0.010 3 6
C7H16 heptane rCC 1.534   1.524 -0.010 1 2
BN boron nitride rB=N 1.325   1.315 -0.010 1 2
CH2C(CH3)OCH3 1-Propene, 2-methoxy- rCH 1.087   1.077 -0.010 11 12
CH3CH2CH2CH3 Butane rCC 1.531   1.521 -0.010 1 2
P2H4 Diphosphine rPH 1.417   1.407 -0.010 1 3
CH3CSNH2 Ethanethioamide rC=S 1.647 ±0.002 1.638 -0.009 1 2
C3H7SH 1-Propanethiol rCC 1.529   1.520 -0.009 7 10
HClO4 perchloric acid rO=Cl 1.414 ±0.001 1.405 -0.009 1 2
CHBr3 bromoform rCBr 1.924 ±0.005 1.915 -0.009 1 3
CH2Br2 dibromomethane rCBr 1.925 ±0.002 1.916 -0.009 1 4
CH3CH2CHO Propanal rCC 1.509   1.500 -0.009 2 3
CH3CHO Acetaldehyde rCH 1.114   1.105 -0.009 1 4
GeH germylidene rGeH 1.588   1.579 -0.009 1 2
CH3NH2 methyl amine rCN 1.471 ±0.003 1.462 -0.009 1 2
CHF2Cl difluorochloromethane rCF 1.350 ±0.010 1.341 -0.009 1 4
CH2CHCH2CH3 1-Butene rCC 1.536   1.527 -0.009 1 2
CH3CH(CH3)CH3 Isobutane rCH 1.100   1.091 -0.009 3 6
CH3NHCH3 Dimethylamine rCH 1.098   1.089 -0.009 3 7
CH3NC methyl isocyanide rCH 1.094   1.085 -0.009 1 4
CH2PH Phosphaethene rCH 1.090 ±0.015 1.082 -0.008 1 3
He2+ helium diatomic cation rHeHe 1.081 ±0.001 1.072 -0.008 1 2
NH+ imidogen cation rNH 1.070 ±0.001 1.062 -0.008 1 2
C2H6O2S Dimethyl sulfone rCS 1.777 ±0.006 1.769 -0.008 1 4
HBr+ hydrogen bromide cation rHBr 1.448   1.440 -0.008 1 2
NH4+ ammonium cation rHN 1.029 ±0.000 1.021 -0.008 1 2
HOCl hypochlorous acid rClO 1.697 ±0.001 1.689 -0.008 1 3
SiHCl3 Trichlorosilane rSiH 1.464   1.456 -0.008 1 2
CH3CCH propyne rCH 1.096   1.088 -0.008 1 5
CH3CH2CHO Propanal rCH 1.096   1.088 -0.008 1 5
OH Hydroxyl radical rOH 0.970   0.962 -0.008 1 2
C5H10 Cyclopropane, 1,1-dimethyl- rCC 1.514   1.506 -0.008 1 4
CH2O2 Dioxirane rCO 1.388 ±0.004 1.380 -0.008 1 4
CH3ONO Methyl nitrite rCH 1.090   1.082 -0.008 1 3
OCSe Carbonyl selenide rC=Se 1.709   1.701 -0.008 1 3
NF nitrogen fluoride rNF 1.317   1.309 -0.008 1 2
CH2PH Phosphaethene rCH 1.090 ±0.015 1.083 -0.007 1 4
C4H4N2 1,3-Diazine rCH 1.087   1.080 -0.007 1 7
C6H12 Cyclohexane rCH 1.101   1.094 -0.007 1 7
CH3NH2 methyl amine rNH 1.018 ±0.001 1.011 -0.007 2 6
HOCl hypochlorous acid rOH 0.973 ±0.002 0.966 -0.007 1 2
P2H4 Diphosphine rPH 1.414   1.407 -0.007 1 4
ScH Scandium monohydride rScH 1.775 ±0.000 1.768 -0.007 1 2
HBr hydrogen bromide rHBr 1.414 ±0.000 1.407 -0.007 1 2
CHF3 Methane, trifluoro- rCH 1.091 ±0.014 1.084 -0.007 1 2
C4H8O2 Ethyl acetate rCC 1.508   1.501 -0.007 1 2
Br2 Bromine diatomic rBrBr 2.281   2.274 -0.007 1 2
H2CSe Selenoformaldehyde rHC 1.090   1.083 -0.007 1 3
C3H4N2 1H-Pyrazole rCH 1.083   1.076 -0.007 5 6
CH2CO Ketene rCH 1.083   1.075 -0.007 1 4
CH3COCH2CH3 2-Butanone rCH 1.095   1.088 -0.007 4 9
C4H8O2 Ethyl acetate rCC 1.515   1.508 -0.007 5 6
CH3OCHO methyl formate rCO 1.437   1.430 -0.007 1 2
C3H4N2 1H-Pyrazole rCH 1.082   1.075 -0.007 1 2
CCl2 dichloromethylene rCCl 1.711   1.704 -0.007 1 2
SiH+ silicon monohydride cation rSiH 1.504   1.497 -0.007 1 2
CH3CHS Thioacetaldehyde rCH 1.098   1.091 -0.007 2 6
CH2C(CH3)CH3 1-Propene, 2-methyl- rCH 1.088   1.081 -0.007 2 3
CH3SCH2CH3 Ethane, (methylthio)- rCH 1.092   1.085 -0.007 1 3
CH Methylidyne rCH 1.120   1.113 -0.007 1 2
CH3OCHO methyl formate rCH 1.101   1.095 -0.006 3 8
C4H4N2 Succinonitrile rCC 1.465   1.459 -0.006 1 3
CH3NC methyl isocyanide rCN 1.426 ±0.003 1.420 -0.006 1 2
CH3COCH2CH3 2-Butanone rCH 1.096   1.090 -0.006 1 7
CHClCCl2 Trichloroethylene rCCl 1.720   1.714 -0.006 2 5
H2CSe Selenoformaldehyde rC=Se 1.753   1.747 -0.006 1 2
PH phosphorus monohydride rPH 1.422   1.416 -0.006 1 2
C5H8 Cyclobutane, methylene- rCC 1.524   1.518 -0.006 1 3
SiH3F monofluorosilane rSiH 1.476   1.470 -0.006 1 3
AsH3 Arsine rAsH 1.511 ±0.000 1.505 -0.006 1 2
CH3COCH2CH3 2-Butanone rCH 1.093   1.087 -0.006 4 10
CH3CHFCH3 2-Fluoropropane rCH 1.093 ±0.006 1.087 -0.006 4 8
NH Imidogen rNH 1.036   1.030 -0.006 1 2
KrH+ Protonated Krypton rHKr 1.421 ±0.000 1.415 -0.006 1 2
HS Mercapto radical rSH 1.341   1.335 -0.006 1 2
SOCl2 thionyl chloride rS=O 1.443 ±0.006 1.437 -0.006 1 2
HS- mercapto anion rSH 1.343   1.338 -0.006 1 2
C3H4N2 1H-Pyrazole rCH 1.080   1.074 -0.006 3 4
CH2FCl fluorochloromethane rCH 1.090 ±0.010 1.084 -0.006 1 4
CH3NO3 Methyl nitrate rCH 1.088   1.082 -0.006 5 6
C4H8 cyclobutane rCH 1.093   1.088 -0.006 1 5
SiH4 Silane rSiH 1.480 ±0.000 1.474 -0.006 1 2
CH3COCH2CH3 2-Butanone rCH 1.091   1.085 -0.006 1 6
CH3OC2H5 Ethane, methoxy- rCH 1.092 ±0.007 1.086 -0.006 4 11
CH3CHFCH3 2-Fluoropropane rCH 1.094 ±0.005 1.088 -0.006 4 10
C6H6 Fulvene rC=C 1.349 ±0.002 1.343 -0.005 1 2
SiH3Cl chlorosilane rSiH 1.475   1.470 -0.005 1 3
DS Mercapto-d rSD 1.341   1.335 -0.005 1 2
CH2O2 Dioxirane rCH 1.090 ±0.002 1.085 -0.005 1 2
C4H6S Thiophene, 2,5-dihydro- rCH 1.095   1.090 -0.005 2 6
C3H8 Propane rCH 1.096   1.091 -0.005 1 4
C6H8 1,4-Cyclohexadiene rCH 1.100   1.095 -0.005 1 11
C6H5OH phenol rC:C 1.398   1.393 -0.005 1 2
HCl Hydrogen chloride rHCl 1.275 ±0.000 1.270 -0.005 1 2
C2H5F fluoroethane rCH 1.095 ±0.007 1.090 -0.005 1 4
CF Fluoromethylidyne rCF 1.276   1.271 -0.005 1 2
C4H5N (E)-2-Butenenitrile rCC 1.432   1.427 -0.005 8 10
C4H6 Cyclobutene rCH 1.094   1.089 -0.005 3 7
C3H6 Cyclopropane rCH 1.083   1.078 -0.005 1 4
CH3OCH3 Dimethyl ether rCH 1.099 ±0.001 1.094 -0.005 2 6
ClF Chlorine monofluoride rFCl 1.628 ±0.000 1.624 -0.005 1 2
DCl Hydrochloric acid-d rDCl 1.275 ±0.000 1.270 -0.005 1 2
C4H6 Cyclobutene rCC 1.517   1.512 -0.005 1 3
C5H8 Bicyclo[2.1.0]pentane rCC 1.565   1.561 -0.004 3 4
C5H8 Ethenylcyclopropane rCC 1.475   1.471 -0.004 1 2
H2 Hydrogen diatomic rHH 0.741   0.737 -0.004 1 2
MgO magnesium oxide rMgO 1.749   1.745 -0.004 1 2
BrCl Bromine monochloride rClBr 2.136 ±0.000 2.132 -0.004 1 2
SiH Silylidyne rSiH 1.520   1.516 -0.004 1 2
C3H3NO Oxazole rCO 1.370 ±0.002 1.365 -0.004 1 5
HCl+ hydrogen chloride cation rHCl 1.315   1.311 -0.004 1 2
CH3CHS Thioacetaldehyde rCH 1.090   1.086 -0.004 2 5
CH3OC2H5 Ethane, methoxy- rCH 1.100 ±0.003 1.096 -0.004 3 8
TeO Tellurium monoxide rO=Te 1.825   1.821 -0.004 1 2
CH3OC2H5 Ethane, methoxy- rCH 1.099 ±0.007 1.095 -0.004 1 6
CH3ONO Methyl nitrite rCO 1.437   1.433 -0.004 1 2
CH2CCHCH3 1,2-Butadiene rC=C 1.314   1.310 -0.004 1 2
C3H4O Methylketene rCH 1.083   1.079 -0.004 2 5
C3H4 cyclopropene rCH 1.088   1.084 -0.004 1 6
CH2Cl2 Methylene chloride rCCl 1.767 ±0.002 1.763 -0.004 1 4
C4H8 cyclobutane rCH 1.091   1.087 -0.004 1 6
C4H10O Propane, 2-methoxy- rCH 1.095   1.092 -0.003 1 2
C2H5N Aziridine rCH 1.083   1.080 -0.003 3 5
CH3CHClCH3 Propane, 2-chloro- rCH 1.091   1.088 -0.003 2 5
CH2Cl2 Methylene chloride rCH 1.085 ±0.002 1.082 -0.003 1 2
BH3 boron trihydride rBH 1.190   1.187 -0.003 1 2
CFCl3 Trichloromonofluoromethane rCCl 1.764 ±0.001 1.760 -0.003 1 3
CH3OCHO methyl formate rCH 1.086   1.083 -0.003 1 5
C6H6 Fulvene rCC 1.476 ±0.008 1.473 -0.003 5 6
AlS Aluminum sulfide rAlS 2.029   2.026 -0.003 1 2
GaAs Gallium arsenide rGa#As 2.530 ±0.020 2.527 -0.003 1 2
DO Hydroxyl-d rDO 0.970   0.967 -0.003 1 2
C2H5N Aziridine rCH 1.084   1.081 -0.003 3 6
IF Iodine monofluoride rFI 1.910   1.907 -0.003 1 2
PCl5 Phosphorus pentachloride rPCl 2.020   2.017 -0.003 1 2
CH3CH2CHO Propanal rCC 1.523   1.520 -0.003 1 2
C5H10 2-Pentene, (Z)- rCH 1.092   1.089 -0.003 1 2
CH2CHF Ethene, fluoro- rCH 1.082   1.079 -0.003 1 4
MgH magnesium monohydride rMgH 1.730   1.727 -0.003 1 2
F2SO Thionyl Fluoride rFS 1.585 ±0.000 1.583 -0.003 1 3
CH3CH(CH3)CH3 Isobutane rCH 1.092   1.090 -0.002 3 9
C2H5F fluoroethane rCH 1.091 ±0.007 1.089 -0.002 2 6
C2H5F fluoroethane rCH 1.090 ±0.007 1.088 -0.002 2 7
C4H6O Cyclobutanone rCC 1.556   1.554 -0.002 3 5
CH2NN diazomethane rC=N 1.300   1.298 -0.002 1 2
H2CS Thioformaldehyde rC=S 1.611   1.609 -0.002 1 2
C2H5I Ethyl iodide rHC 1.093   1.091 -0.002 2 6
AlH aluminum monohydride rAlH 1.648   1.646 -0.002 1 2
HNO3 Nitric acid rNO 1.406   1.404 -0.002 1 2
C3H3NO Oxazole rCO 1.357 ±0.003 1.355 -0.002 1 2
CH3OCH3 Dimethyl ether rCO 1.411 ±0.001 1.409 -0.002 1 2
C4H6 Cyclobutene rCH 1.083   1.081 -0.002 1 5
CH3I methyl iodide rCH 1.084 ±0.003 1.082 -0.002 1 3
C5H8 Bicyclo[2.1.0]pentane rCC 1.528   1.526 -0.002 1 3
SiH3+ Silyl cation rSiH 1.460 ±0.010 1.458 -0.002 1 2
C6H5OH phenol rCH 1.082   1.080 -0.002 4 11
CH3CHClCH3 Propane, 2-chloro- rCH 1.092   1.090 -0.002 3 6
CH4 Methane rCH 1.087 ±0.001 1.085 -0.002 1 2
CBrClF2 Methane, bromochlorodifluoro- rCBr 1.932 ±0.004 1.930 -0.002 1 2
HSSSH trisulfane rSS 2.054 ±0.000 2.052 -0.002 1 2
BCl boron monochloride rBCl 1.719 ±0.000 1.718 -0.002 1 2
C3H7SH 1-Propanethiol rCH 1.090   1.089 -0.001 8 10
C2H2 Acetylene rCH 1.063   1.062 -0.001 1 3
CH3CHFCH3 2-Fluoropropane rCH 1.092   1.091 -0.001 1 3
C6H12 Cyclohexane rCH 1.093   1.092 -0.001 1 13
BrF3 Bromine trifluoride rFBr 1.810 ±0.000 1.809 -0.001 1 3
C3H7SH 1-Propanethiol rCH 1.092   1.091 -0.001 5 7
TiCl Titanium Monochloride rClTi 2.265 ±0.000 2.264 -0.001 1 2
C3H3NO Oxazole rCH 1.075 ±0.001 1.074 -0.001 4 7
AlI Aluminum monoiodide rAlI 2.537 ±0.000 2.536 -0.001 1 2
C2H5F fluoroethane rCC 1.505 ±0.007 1.504 -0.001 1 2
HO2 Hydroperoxy radical rOH 0.971   0.970 -0.001 1 3
HOI Hypoiodous acid rOH 0.967 ±0.008 0.966 -0.001 1 3
C2H3 vinyl rCH 1.085   1.084 -0.001 2 4
CF3COOH trifluoroacetic acid rCC 1.546 ±0.005 1.545 -0.001 1 2
C6H6 Fulvene rC=C 1.355 ±0.004 1.354 -0.001 3 5
CH3CH2Cl Ethyl chloride rCH 1.086   1.085 -0.001 2 7
C6H5OH phenol rCH 1.084   1.083 -0.001 2 9
C3H3NO Oxazole rCH 1.075 ±0.001 1.074 -0.001 2 6
CH3COCl Acetyl Chloride rC=O 1.187   1.186 -0.001 1 3
C3H3NO Oxazole rCH 1.073 ±0.001 1.073 -0.001 5 8
CH3CHO Acetaldehyde rCH 1.086   1.085 -0.001 2 5
C6H10 1-Butyne, 3,3-dimethyl- rCH 1.056 ±0.001 1.055 -0.001 6 7
Si(CH3)4 tetramethylsilane rSiC 1.875 ±0.002 1.874 -0.001 1 2
SCSe Carbon sulfide selenide rC=Se 1.695 ±0.002 1.694 -0.001 1 3
CS carbon monosulfide rC#S 1.535   1.534 -0.000 1 2
C6H6 Fulvene rCH 1.080 ±0.005 1.080 0.000 5 11
CH3CH2Cl Ethyl chloride rCH 1.090   1.090 0.000 1 3
C4H4N2 1,3-Diazine rCH 1.082   1.082 0.000 2 8
C5H8O 2H-Pyran, 3,4-dihydro- rCC 1.516   1.516 0.000 10 13
C5H8O Methyl cyclopropyl ketone rCC 1.510   1.510 0.000 2 3
CH3COCH2CH3 2-Butanone rCH 1.093   1.093 0.000 3 12
CH3OCHO methyl formate rCO 1.334   1.334 0.000 2 3
BrF Bromine monofluoride rFBr 1.759 ±0.000 1.759 0.000 1 2
CHClCCl2 Trichloroethylene rCCl 1.712   1.712 0.000 2 6
C4H10O Ethoxy ethane rCC 1.517   1.517 0.000 2 4
C5H7N Cyclobutanecarbonitrile rCC 1.551   1.551 0.000 3 6
C6H6 Fulvene rCC 1.470 ±0.004 1.470 0.000 1 3
BS boron sulfide rBS 1.609   1.609 0.000 1 2
C2H2+ acetylene cation rC=C 1.253 ±0.001 1.253 0.000 1 2
HCCCN Cyanoacetylene rCH 1.062 ±0.001 1.062 0.000 4 5
CH3Br methyl bromide rCH 1.082 ±0.001 1.082 0.000 1 3
C5H10 Cyclopropane, 1,1-dimethyl- rCH 1.080   1.080 0.000 2 6
CH3OC2H5 Ethane, methoxy- rCH 1.086 ±0.010 1.086 0.000 1 5
C2H3Cl Ethene, chloro- rCH 1.079   1.079 0.000 2 5
C2H2+ acetylene cation rCH 1.077 ±0.005 1.077 0.000 1 3
CH3CH2OH Ethanol rCH 1.088   1.088 0.000 1 5
DF Hydrofluoric acid-d rDF 0.917 ±0.000 0.918 0.000 1 2
CH3OCH3 Dimethyl ether rCH 1.085 ±0.001 1.085 0.000 2 4
CH3NHCH3 Dimethylamine rCH 1.098   1.098 0.000 3 5
CH3NH2 methyl amine rCH 1.093 ±0.000 1.093 0.001 1 3
PO2 Phosphorus dioxide rP=O 1.467   1.467 0.001 1 2
Cl2 Chlorine diatomic rClCl 1.988   1.989 0.001 1 2
ClCN chlorocyanogen rCCl 1.629   1.630 0.001 1 2
CHONH2 formamide rNH 1.001   1.002 0.001 3 6
C5H8 1,3-Butadiene, 2-methyl- rCC 1.463   1.464 0.001 2 3
CH3CHFCH3 2-Fluoropropane rCH 1.088 ±0.006 1.089 0.001 4 6
SOF4 Sulfur tetrafluoride oxide rFS 1.596 ±0.003 1.597 0.001 1 3
SF Monosulfur monofluoride rSF 1.599   1.600 0.001 1 2
BrF3 Bromine trifluoride rFBr 1.721   1.722 0.001 1 2
CH2CHF Ethene, fluoro- rCH 1.077   1.078 0.001 2 5
SiH2F2 difluorosilane rSiH 1.462   1.462 0.001 1 4
C2HF3 Trifluoroethylene rCF 1.316 ±0.011 1.317 0.001 1 3
MgH+ magnesium monohydride cation rMgH 1.652   1.653 0.001 1 2
H2O Water rOH 0.958 ±0.000 0.959 0.001 1 2
CSe2 Carbon diselenide rC=Se 1.692 ±0.000 1.693 0.001 1 2
CH3CHS Thioacetaldehyde rCH 1.089   1.090 0.001 1 4
C6H6 Fulvene rCH 1.078 ±0.005 1.079 0.001 3 9
C3H4 cyclopropene rCH 1.072   1.073 0.001 2 4
C8H8 cyclooctatetraene rC=C 1.337 ±0.001 1.338 0.001 1 2
C10H8 naphthalene rC:C 1.410   1.411 0.001 2 3
CSe Carbon monoselenide rC=Se 1.676 ±0.000 1.678 0.001 1 2
HF Hydrogen fluoride rHF 0.917 ±0.000 0.918 0.001 1 2
CH3OC2H5 Ethane, methoxy- rCH 1.089 ±0.008 1.090 0.001 4 10
CH3CCH propyne rCH 1.060   1.061 0.001 3 4
BeH beryllium monohydride rBeH 1.343   1.344 0.002 1 2
CH3SCH2CH3 Ethane, (methylthio)- rCH 1.087   1.089 0.002 1 2
CH2F2 Methane, difluoro- rCH 1.084 ±0.003 1.086 0.002 1 2
C5H5N Pyridine rC:C 1.390   1.392 0.002 3 5
CuF Copper monofluoride rCuF 1.745 ±0.000 1.747 0.002 1 2
C8H8 cyclooctatetraene rCC 1.470 ±0.001 1.472 0.002 1 5
GaBr Gallium monobromide rGaBr 2.352 ±0.000 2.355 0.002 1 2
CH3CH2O Ethoxy radical rCH 1.085   1.087 0.002 1 5
SF4 Sulfur tetrafluoride rSF 1.646 ±0.003 1.648 0.002 1 2
OH- hydroxide anion rOH 0.964   0.966 0.002 1 2
GeH3F monofluorogermane rGeH 1.515 ±0.000 1.517 0.002 1 3
BF Boron monofluoride rBF 1.267 ±0.000 1.269 0.003 1 2
SCl2 Sulfur dichloride rSCl 2.013 ±0.001 2.015 0.003 1 2
CH2CHCH2CH3 1-Butene rCC 1.493   1.496 0.003 2 3
C4H8O2 1,3-Dioxane rCO 1.393   1.396 0.003 1 2
C3F6 hexafluoropropene rC=C 1.329 ±0.003 1.332 0.003 1 2
HNCNH diiminomethane rC=N 1.224 ±0.001 1.227 0.003 1 2
C3H6 Cyclopropane rCC 1.501   1.504 0.003 1 2
PCl5 Phosphorus pentachloride rPCl 2.124   2.127 0.003 1 5
CH2C(CH3)OCH3 1-Propene, 2-methoxy- rCO 1.416   1.419 0.003 1 5
GeCl Germanium monochloride rClGe 2.164 ±0.000 2.167 0.003 1 2
SiH3Cl chlorosilane rSiCl 2.051   2.054 0.003 1 2
COBr2 Carbonic dibromide rC=O 1.172 ±0.003 1.175 0.003 1 2
Se2 Selenium diatomic rSe=Se 2.166 ±0.001 2.169 0.003 1 2
C4H4N2 1,3-Diazine rCH 1.079   1.082 0.003 3 9
SOF4 Sulfur tetrafluoride oxide rFS 1.539 ±0.003 1.542 0.003 1 5
CH3OCl methyl hypochlorite rCH 1.086 ±0.018 1.089 0.003 3 5
CH3CH2O Ethoxy radical rCH 1.086   1.089 0.003 1 4
P2 Phosphorus diatomic rP#P 1.893   1.897 0.003 1 2
CHONH2 formamide rNH 1.001   1.005 0.004 3 5
CH3SCH2CH3 Ethane, (methylthio)- rCH 1.097   1.101 0.004 5 6
CH3COCH2CH3 2-Butanone rCC 1.512   1.516 0.004 2 3
CH3NHCH3 Dimethylamine rCH 1.084   1.088 0.004 3 9
HOBr Hypobromous acid rOH 0.961   0.965 0.004 1 2
BO boron monoxide rB=O 1.205   1.208 0.004 1 2
C6H8 (Z)-hexa-1,3,5-triene rC=C 1.337   1.341 0.004 3 5
PF phosphorus monofluoride rFP 1.593   1.597 0.004 1 2
CuCl Copper monochloride rCuCl 2.051 ±0.000 2.055 0.004 1 2
HNCO Isocyanic acid rC=O 1.164   1.168 0.004 3 4
IO Iodine monoxide rIO 1.868 ±0.004 1.872 0.004 1 2
CCl2O Phosgene rC=O 1.177   1.181 0.004 1 2
BeH2 beryllium dihydride rBeH 1.326 ±0.000 1.331 0.004 1 2
CH2CO Ketene rC=O 1.162   1.166 0.004 2 3
SCSe Carbon sulfide selenide rC=S 1.553 ±0.002 1.557 0.004 1 2
PF5 Phosphorus pentafluoride rFP 1.577   1.581 0.004 1 5
C3H4O Methylketene rCH 1.083   1.088 0.005 3 6
CCl carbon monochloride rCCl 1.649   1.654 0.005 1 2
AsF Arsenic monofluoride rFAs 1.736 ±0.001 1.741 0.005 1 2
CH3SCH2CH3 Ethane, (methylthio)- rCH 1.090   1.095 0.005 9 11
C6H5OH phenol rCO 1.364   1.369 0.005 1 7
N2O3 Dinitrogen trioxide rN=O 1.202   1.207 0.005 2 4
CH2F2 Methane, difluoro- rCF 1.351 ±0.001 1.356 0.005 1 4
C6H5OH phenol rCH 1.076   1.081 0.005 3 10
ClCN chlorocyanogen rC#N 1.161   1.166 0.005 2 3
SiCl Clorosilylidyne rSiCl 2.061 ±0.000 2.067 0.005 1 2
CHF3 Methane, trifluoro- rCF 1.328 ±0.003 1.334 0.006 1 3
C4H8O2 Ethyl acetate rCO 1.345   1.351 0.006 2 3
CH3SCH2CH3 Ethane, (methylthio)- rCH 1.089   1.095 0.006 9 10
GeF+ Germanium monofluoride cation rFGe 1.665 ±0.000 1.671 0.006 1 2
C2- carbon diatomic anion rC#C 1.268 ±0.000 1.274 0.006 1 2
FNO2 Nitryl fluoride rN=O 1.180 ±0.005 1.186 0.006 1 3
OPCl Phosphorus oxychloride rPCl 2.059 ±0.004 2.064 0.006 1 3
SF4 Sulfur tetrafluoride rSF 1.545 ±0.003 1.551 0.006 1 4
Cl2+ chlorine diatomic cation rClCl 1.892   1.898 0.006 1 2
CF3COOH trifluoroacetic acid rC=O 1.192 ±0.003 1.198 0.006 2 4
C5H10 2-Pentene, (Z)- rCC 1.490   1.496 0.006 8 14
PO Phosphorus monoxide rP=O 1.476   1.482 0.006 1 2
SiF silicon monofluoride rSiF 1.604   1.611 0.006 1 2
SiBr+ Silicon monobromide cation rSiBr 2.095 ±0.000 2.102 0.006 1 2
CH3ONO Methyl nitrite rN=O 1.182   1.188 0.006 6 7
C4H6O Cyclobutanone rCC 1.527   1.533 0.006 2 3
C4H10O Propane, 2-methoxy- rCO 1.422   1.429 0.007 5 14
CN- cyanide anion rC#N 1.177 ±0.004 1.184 0.007 1 2
CH2FCl fluorochloromethane rCCl 1.762 ±0.000 1.769 0.007 1 3
C3H7N Cyclopropylamine rCH 1.080   1.087 0.007 1 2
SeO Selenium monoxide rSeO 1.639 ±0.001 1.646 0.007 1 2
PF2 Phosphorus difluoride rPF 1.579   1.586 0.007 1 2
GaF Gallium monofluoride rFGa 1.774 ±0.000 1.781 0.007 1 2
C4H8O2 Ethyl acetate rC=O 1.203   1.210 0.007 2 4
CH3CH2OH Ethanol rCH 1.086   1.093 0.007 2 8
C8H8 cyclooctatetraene rCH 1.079 ±0.001 1.086 0.007 1 9
NH2CONH2 Urea rNH 0.998   1.005 0.007 4 8
MgOH magnesium hydroxide rOH 0.940   0.947 0.007 1 3
CCl2O Phosgene rCCl 1.737   1.744 0.007 2 3
CH3CH2O Ethoxy radical rCH 1.088   1.096 0.008 2 7
SiH3F monofluorosilane rSiF 1.595   1.602 0.008 1 2
OCSe Carbonyl selenide rC=O 1.159   1.167 0.008 1 2
CH3NC methyl isocyanide rC#N 1.166 ±0.003 1.174 0.008 2 3
GeF Germanium monofluoride rFGe 1.745   1.753 0.008 1 2
F2SO Thionyl Fluoride rO=S 1.413 ±0.000 1.421 0.008 1 2
PF5 Phosphorus pentafluoride rPF 1.534   1.542 0.008 1 2
CH3OC2H5 Ethane, methoxy- rCO 1.407 ±0.004 1.415 0.008 2 3
HSiCl Chlorosilylene rSiCl 2.067 ±0.003 2.076 0.009 1 2
C4H4N2 1,3-Diazine rC:N 1.328   1.337 0.009 2 6
C2H2 Acetylene rC#C 1.203   1.211 0.009 1 2
NS Mononitrogen monosulfide rNS 1.497 ±0.000 1.506 0.009 1 2
SiH2Cl2 dichlorosilane rSiCl 2.033 ±0.003 2.042 0.009 1 4
CH3CH(NH2)COOH Alanine rCC 1.509   1.518 0.009 2 3
CO Carbon monoxide rC#O 1.128 ±0.000 1.138 0.009 1 2
N2O3 Dinitrogen trioxide rN=O 1.142   1.151 0.009 1 3
XeF2 Xenon difluoride rFXe 1.974 ±0.000 1.984 0.010 1 2
SCl sulfur monochloride rSCl 1.975   1.985 0.010 1 2
S2 Sulfur diatomic rS=S 1.889   1.899 0.010 1 2
LiNH2 lithium amide rLiN 1.736 ±0.003 1.746 0.010 1 2
XeF4 Xenon tetrafluoride rFXe 1.935 ±0.000 1.945 0.010 1 2
GeH3F monofluorogermane rGeF 1.731 ±0.000 1.741 0.010 1 2
MgS magnesium sulfide rMgS 2.143   2.153 0.010 1 2
SSO Disulfur monoxide rS=S 1.884   1.895 0.010 2 3
HClO4 perchloric acid rO=Cl 1.404 ±0.001 1.415 0.011 1 4
SiS silicon monosulfide rSiS 1.929 ±0.000 1.940 0.011 1 2
BeO beryllium oxide rBe=O 1.331   1.342 0.011 1 2
SO Sulfur monoxide rS=O 1.481   1.492 0.011 1 2
SeS Selenium monosulfide rS=Se 2.037 ±0.001 2.047 0.011 1 2
LiOH lithium hydroxide rLiO 1.582   1.592 0.011 1 2
BF3 Borane, trifluoro- rBF 1.307   1.318 0.011 1 2
C2H6O2S Dimethyl sulfone rS=O 1.431 ±0.004 1.442 0.011 1 2
PCl phosphorus chloride rPCl 2.018   2.029 0.011 1 2
GeS Germanium monosulfide rS=Ge 2.012 ±0.000 2.024 0.012 1 2
C6H10 1-Butyne, 3,3-dimethyl- rC#C 1.209 ±0.001 1.221 0.012 1 6
MgOH magnesium hydroxide rMgO 1.767   1.779 0.012 1 2
CH3COCl Acetyl Chloride rCCl 1.798   1.810 0.012 1 4
MgF Magnesium monofluoride rMgF 1.750   1.762 0.012 1 2
C4H4N2 Pyridazine rCH 1.064   1.077 0.013 1 5
OPCl Phosphorus oxychloride rP=O 1.462 ±0.011 1.475 0.013 1 2
C3H5 Allyl radical rCH 1.069   1.082 0.013 1 2
NO- nitric oxide anion rN=O 1.258 ±0.010 1.271 0.013 1 2
LiH Lithium Hydride rLiH 1.595 ±0.000 1.609 0.014 1 2
SiF2 Silicon difluoride rFSi 1.590 ±0.000 1.604 0.014 1 2
N(CH3)3 Trimethylamine rCH 1.088   1.102 0.014 2 5
CHF2Cl difluorochloromethane rCCl 1.747 ±0.010 1.761 0.014 1 3
SiHCl3 Trichlorosilane rSiCl 2.020   2.034 0.014 1 3
AlF Aluminum monofluoride rAlF 1.654 ±0.000 1.669 0.014 1 2
ClOF3 Chlorine trifluoride oxide rFCl 1.713 ±0.003 1.728 0.015 1 4
C5H10 2-Pentene, (E)- rCC 1.484   1.499 0.015 4 11
BeF Beryllium monofluoride rBeF 1.361   1.376 0.015 1 2
CH2I2 Diiodomethane rCH 1.066 ±0.015 1.081 0.015 1 4
N2 Nitrogen diatomic rN#N 1.098   1.113 0.015 1 2
ICN Cyanogen iodide rC#N 1.160 ±0.000 1.176 0.015 2 3
C2H Ethynyl radical rCH 1.047   1.062 0.015 1 3
AlBr Aluminum monobromide rAlBr 2.295   2.310 0.015 1 2
O2 Oxygen diatomic rO=O 1.208   1.223 0.015 1 2
C2 Carbon diatomic rC=C 1.243   1.258 0.016 1 2
SeO2 Selenium dioxide rSeO 1.607 ±0.001 1.623 0.016 1 2
AlNC Aluminum isocyanide rAlN 1.855 ±0.005 1.872 0.017 1 2
SSO Disulfur monoxide rS=O 1.456   1.473 0.017 1 2
CuO Copper Monoxide rCuO 1.724 ±0.000 1.742 0.017 1 2
BrF5 bromine pentafluoride rFBr 1.689 ±0.008 1.706 0.017 1 2
C3H8O2 Methane, dimethoxy- rCO 1.382   1.400 0.018 1 4
LiCl lithium chloride rLiCl 2.021 ±0.000 2.039 0.018 1 2
Cu2 Copper diatomic rCuCu 2.220   2.238 0.018 1 2
GeO Germanium monoxide rOGe 1.625   1.644 0.019 1 2
SiO Silicon monoxide rSiO 1.510 ±0.000 1.529 0.019 1 2
C5H8 Bicyclo[2.1.0]pentane rCC 1.507   1.527 0.020 1 2
NaF sodium fluoride rNaF 1.926 ±0.000 1.946 0.020 1 2
BeS beryllium sulfide rBe=S 1.742   1.761 0.020 1 2
LiI Lithium Iodide rLiI 2.392 ±0.000 2.412 0.020 1 2
LiF lithium fluoride rLiF 1.564 ±0.000 1.584 0.020 1 2
ClFO3 Perchloryl fluoride rCl=O 1.400   1.421 0.021 2 3
CH2C(CH3)OCH3 1-Propene, 2-methoxy- rCO 1.353   1.374 0.021 5 10
C5H8O Cyclopentanone rCC 1.504   1.526 0.022 2 3
NaH sodium hydride rNaH 1.887 ±0.000 1.909 0.022 1 2
C3O2 Carbon suboxide rC=O 1.146   1.170 0.024 2 4
BeCl beryllium monochloride rBeCl 1.797   1.822 0.025 1 2
C2Cl2 dichloroacetylene rCCl 1.612 ±0.030 1.637 0.025 1 3
LiBr Lithium Bromide rLiBr 2.170 ±0.000 2.196 0.025 1 2
MgCl magnesium monochloride rMgCl 2.199   2.225 0.026 1 2
AlN Aluminum nitride rN#Al 1.786   1.812 0.026 1 2
C3O2 Carbon suboxide rC=C 1.251   1.277 0.026 1 2
AlC Aluminum carbide rC=Al 1.955   1.981 0.026 1 2
AsF3 Arsenic trifluoride rAsF 1.706 ±0.002 1.733 0.027 1 2
CFCl chlorofluoromethylene rCCl 1.714   1.741 0.027 1 3
C5H10 2-Pentene, (Z)- rCH 1.058   1.086 0.028 12 13
As2 Arsenic diatomic rAs#As 2.103   2.130 0.028 1 2
CaH Calcium monohydride rCaH 2.003 ±0.000 2.033 0.030 1 2
PN Phosphorus mononitride rP#N 1.491   1.522 0.031 1 2
NaCl Sodium Chloride rNaCl 2.361 ±0.000 2.392 0.031 1 2
C3H4O Cyclopropanone rCC 1.575   1.606 0.031 3 4
CH2NN diazomethane rN=N 1.139   1.170 0.031 2 3
PF+ phosphorus monofluoride cation rFP 1.500   1.532 0.031 1 2
PS phosphorus sulfide rP=S 1.900   1.931 0.031 1 2
NaBr Sodium Bromide rNaBr 2.502 ±0.000 2.534 0.032 1 2
CaOH Calcium monohydroxide rOH 0.930 ±0.007 0.962 0.032 2 3
S2+ sulfur diatomic cation rS=S 1.825 ±0.010 1.857 0.032 1 2
SO+ sulfur monoxide cation rO=S 1.424   1.457 0.033 1 2
NCl nitrogen monochloride rNCl 1.611 ±0.000 1.644 0.033 1 2
NH3BF3 Amminetrifluoroboron rBN 1.673   1.707 0.034 1 2
AlO Aluminum monoxide rAlO 1.618   1.657 0.039 1 2
ClOF3 Chlorine trifluoride oxide rFCl 1.603 ±0.004 1.650 0.047 1 3
CaCl calcium monochloride rClCa 2.437   2.486 0.050 1 2
P2+ phosphorus diatomic cation rPP 1.986   2.036 0.050 1 2
CaC Calcium monocarbide rC#Ca 2.302   2.353 0.052 1 2
C4H10O Ethoxy ethane rCO 1.411   1.464 0.053 1 2
NS+ nitrogen sulfide cation rNS 1.440   1.493 0.053 1 2
ClFO3 Perchloryl fluoride rFCl 1.598   1.657 0.059 1 2
C4H8O2 Ethyl acetate rCO 1.448   1.508 0.060 5 6
KH Potassium hydride rKH 2.243 ±0.001 2.317 0.075 1 2
Li2 Lithium diatomic rLiLi 2.673   2.750 0.077 1 2
CaBr Calcium monobromide rCaBr 2.594 ±0.000 2.670 0.077 1 2
NO+ nitric oxide cation rN=O 1.066   1.152 0.086 1 2
NaLi lithium sodium rLiNa 2.889   2.990 0.101 1 2
CaO Calcium monoxide rOCa 1.822   1.934 0.111 1 2
KF Potassium Fluoride rKF 2.171 ±0.000 2.288 0.116 1 2
O2+ diatomic oxygen cation rOO 1.116   1.244 0.127 1 2
CaOH Calcium monohydroxide rOCa 1.976 ±0.004 2.133 0.157 1 2
KBr Potassium Bromide rKBr 2.821 ±0.000 2.979 0.158 1 2
KCl Potassium Chloride rKCl 2.667 ±0.000 2.825 0.158 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 1.921 0.210 1 5
CP Carbon monophosphide rC#P 1.562   1.775 0.213 1 2
Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- rAlCl 2.040 ±0.040 2.278 0.238 1 3
AlCl Aluminum monochloride rAlCl 2.130 ±0.000 2.420 0.289 1 2
C4H10O Methyl propyl ether rCH 1.099   1.410 0.311 1 2
593 molecules.