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Release 17bSeptember 2015
NIST Standard Reference Database 101
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IV.D.8.

Average Bond Length Differences by Model Chemistry

Calculated at MP2/aug-cc-pVDZ

Species Name Bond type Bond Length (Å)
Experimental unc. Calculated Difference atom1 atom2
C6H6 Fulvene rCH 1.130 ±0.030 1.094 -0.036 2 7
CN Cyano radical rC#N 1.172   1.139 -0.033 1 2
NS Mononitrogen monosulfide rNS 1.497 ±0.000 1.470 -0.027 1 2
C2H Ethynyl radical rC#C 1.217   1.191 -0.025 1 2
SiN Silicon nitride rSiN 1.575   1.551 -0.024 1 2
C5H8 Bicyclo[2.1.0]pentane rCC 1.536   1.513 -0.023 1 5
C6H5OCH3 Anisole rCO 1.399   1.377 -0.022 1 7
C2H2O2 Ethanedial rCH 1.132   1.113 -0.019 1 3
CP Carbon monophosphide rC#P 1.562   1.545 -0.017 1 2
C2Cl2 dichloroacetylene rC#C 1.246 ±0.030 1.230 -0.016 1 2
C7H16 heptane rCH 1.121 ±0.007 1.106 -0.015 1 8
CH2ClCH2Cl Ethane, 1,2-dichloro- rCH 1.112   1.097 -0.015 1 5
CO+ carbon monoxide cation rC=O 1.115 ±0.000 1.101 -0.014 1 2
C3H8O2 1,3-Propanediol rOH 0.980   0.967 -0.013 6 8
LiOH lithium hydroxide rOH 0.969   0.956 -0.013 1 3
CH3CH2CH2CH3 Butane rCH 1.117   1.105 -0.012 1 5
Si(CH3)4 tetramethylsilane rCH 1.115 ±7.000 1.103 -0.012 2 6
CH2ClCH2Cl Ethane, 1,2-dichloro- rCC 1.531   1.519 -0.012 1 2
NO Nitric oxide rN=O 1.154 ±0.000 1.142 -0.012 1 2
ScH Scandium monohydride rHSc 1.775 ±0.000 1.764 -0.011 1 2
HO2 Hydroperoxy radical rOO 1.331   1.321 -0.009 1 2
N(CH3)3 Trimethylamine rCH 1.109   1.101 -0.008 2 8
CH3COCl Acetyl Chloride rCH 1.105   1.097 -0.008 2 5
BH+ boron monohydride cation rHB 1.215   1.208 -0.007 1 2
HF+ hydrogen fluoride cation rHF 1.014   1.008 -0.007 1 2
AsH Arsenic monohydride rHAs 1.535 ±0.001 1.528 -0.007 1 2
CH3SeH Methane selenol rHSe 1.473 ±0.020 1.466 -0.007 1 3
C3H6O Propylene oxide rCC 1.513   1.507 -0.006 2 6
HSe Selenium monohydride rHSe 1.475 ±0.010 1.469 -0.006 1 2
CH2Cl chloromethyl radical rHC 1.090 ±0.010 1.087 -0.003 1 3
SiH2Cl2 dichlorosilane rSiH 1.480 ±0.015 1.477 -0.003 1 2
CH3CH2CHO Propanal rCH 1.103   1.100 -0.003 1 6
AlH+ aluminum monohydride cation rHAl 1.602   1.599 -0.002 1 2
CH3ONO Methyl nitrite rCH 1.102   1.100 -0.002 1 4
C2H2O2 Ethanedial rCC 1.526   1.524 -0.002 1 2
C6H5OCH3 Anisole rCO 1.433   1.431 -0.002 7 8
CH3CH(NH2)COOH Alanine rCC 1.544   1.542 -0.002 3 4
CH3COCl Acetyl Chloride rCC 1.506   1.504 -0.002 1 2
C7H16 heptane rCC 1.534   1.532 -0.002 1 2
B2H6 Diborane rBH 1.200   1.199 -0.001 1 5
CH2NH Methanimine rCH 1.103   1.102 -0.001 1 3
N2O3 Dinitrogen trioxide rN=O 1.217   1.218 0.001 2 5
HClO4 perchloric acid rHO 0.980   0.981 0.001 3 6
SH+ sulfur monohydride cation rHS 1.374   1.375 0.001 1 2
CH3CH2CHO Propanal rCH 1.105   1.106 0.001 2 8
C3H7SH 1-Propanethiol rCC 1.529   1.530 0.001 7 10
CH3NH2 methyl amine rCN 1.471 ±0.003 1.472 0.001 1 2
PH+ phosphorus monohydride cation rHP 1.435   1.437 0.002 1 2
CH2CHCl Ethene, chloro- rCH 1.090   1.092 0.002 1 4
CH3NH2 methyl amine rNH 1.018 ±0.001 1.020 0.002 2 6
C6H6 Fulvene rCC 1.476 ±0.008 1.478 0.002 5 6
CH3CH2CH2CH3 Butane rCC 1.531   1.533 0.002 1 2
CH3CH2CHO Propanal rCH 1.115   1.117 0.002 3 10
CH3CH2OH Ethanol rCH 1.098   1.100 0.002 1 6
BN boron nitride rB=N 1.325   1.327 0.002 1 2
CH3CH2CHO Propanal rCC 1.509   1.511 0.002 2 3
ArH+ Argon hydride cation rHAr 1.292 ±0.000 1.295 0.003 1 2
CH3OCHO methyl formate rCH 1.101   1.104 0.003 3 8
CH2CHCH2CH3 1-Butene rCC 1.536   1.539 0.003 1 2
C5H8 Cyclobutane, methylene- rCC 1.524   1.527 0.003 1 3
NH+ imidogen cation rHN 1.070 ±0.001 1.073 0.003 1 2
CH3CHO Acetaldehyde rCH 1.114   1.117 0.003 1 4
HBr+ hydrogen bromide cation rHBr 1.448   1.452 0.003 1 2
CBr4 Carbon tetrabromide rCBr 1.942 ±0.002 1.945 0.003 1 2
CH2 Methylene rCH 1.085   1.088 0.003 1 2
CH3NHCH3 Dimethylamine rCH 1.098   1.102 0.004 3 7
CH3NC methyl isocyanide rCH 1.094   1.098 0.004 1 4
CH3CH(CH3)CH3 Isobutane rCH 1.100   1.104 0.004 3 6
CH3CH2CHO Propanal rCH 1.096   1.100 0.004 1 5
CH2PH H2CPH rCH 1.090 ±0.015 1.094 0.004 1 3
CH3CCH propyne rCH 1.096   1.100 0.004 1 5
GeH germylidene rHGe 1.588   1.593 0.005 1 2
CH3CH2CHO Propanal rCC 1.523   1.528 0.005 1 2
CH3ONO Methyl nitrite rCH 1.090   1.095 0.005 1 3
B2H6 Diborane rBH 1.320   1.325 0.005 1 3
C6H6 Fulvene rCC 1.470 ±0.004 1.475 0.005 1 3
CH2CO Ketene rCH 1.083   1.088 0.005 1 4
H2Se Hydrogen selenide rHSe 1.460   1.465 0.005 1 2
DO Hydroxyl-d rDO 0.970   0.975 0.005 1 2
OH Hydroxyl radical rOH 0.970   0.975 0.006 1 2
C2H5F fluoroethane rCH 1.095 ±0.007 1.101 0.006 1 4
CH2C(CH3)CH3 1-Propene, 2-methyl- rCH 1.088   1.094 0.006 2 3
CH3SCH2CH3 Ethane, (methylthio)- rCH 1.097   1.103 0.006 5 6
CH2PH H2CPH rCH 1.090 ±0.015 1.096 0.006 1 4
N3 azide radical rNN 1.181   1.187 0.006 1 2
HBr hydrogen bromide rHBr 1.414 ±0.000 1.420 0.006 1 2
NH Imidogen rNH 1.036   1.042 0.006 1 2
C5H8 Bicyclo[2.1.0]pentane rCC 1.565   1.571 0.006 3 4
CH2O2 Dioxirane rCH 1.090 ±0.002 1.096 0.006 1 2
CH2FCl fluorochloromethane rCH 1.090 ±0.010 1.096 0.006 1 4
CH3CHS Thioacetaldehyde rCH 1.098   1.104 0.006 2 6
CH2CHCHO Acrolein rCH 1.086 ±0.007 1.092 0.006 3 7
CH3NC methyl isocyanide rCN 1.426 ±0.003 1.433 0.007 1 2
SiH3F monofluorosilane rSiH 1.476   1.483 0.007 1 3
C4H6S Thiophene, 2,5-dihydro- rCH 1.095   1.102 0.007 2 6
AsH3 Arsine rHAs 1.511 ±0.000 1.518 0.007 1 2
SiH3Cl chlorosilane rSiH 1.475   1.482 0.007 1 3
DF Hydrofluoric acid-d rDF 0.917 ±0.000 0.925 0.007 1 2
C3H8 Propane rCH 1.096   1.103 0.007 1 4
CH3OCH3 Dimethyl ether rCH 1.099 ±0.001 1.107 0.008 2 6
OCSe Carbonyl selenide rC=Se 1.709   1.717 0.008 1 3
HO2 Hydroperoxy radical rOH 0.971   0.978 0.008 1 3
C4H6 Cyclobutene rCH 1.094   1.102 0.008 3 7
MgO magnesium oxide rMgO 1.749   1.757 0.008 1 2
HF Hydrogen fluoride rHF 0.917 ±0.000 0.925 0.008 1 2
BeH beryllium monohydride rBeH 1.343   1.351 0.008 1 2
H2O Water rOH 0.958 ±0.000 0.966 0.008 1 2
C3H6 Cyclopropane rCH 1.083   1.091 0.008 1 4
C2H5N Aziridine rCH 1.083   1.091 0.008 3 5
C4H8 cyclobutane rCH 1.093   1.102 0.008 1 5
CH3CHS Thioacetaldehyde rCH 1.090   1.098 0.008 2 5
SiH4 Silane rSiH 1.480 ±0.000 1.488 0.009 1 2
C2H5N Aziridine rCH 1.084   1.093 0.009 3 6
C4H6 Cyclobutene rCC 1.517   1.526 0.009 1 3
CH3SCH2CH3 Ethane, (methylthio)- rCH 1.092   1.101 0.009 1 3
CH2CHCHO Acrolein rCH 1.086 ±0.007 1.095 0.009 3 8
CH3OCHO methyl formate rCH 1.086   1.095 0.009 1 5
C4H8 cyclobutane rCH 1.091   1.100 0.009 1 6
CH2CHCHO Acrolein rC=C 1.345 ±0.003 1.354 0.009 2 3
P2H4 H2PPH2 rPH 1.417   1.426 0.009 1 3
C6H5OH phenol rC:C 1.398   1.407 0.009 1 2
OH- hydroxide anion rOH 0.964   0.973 0.009 1 2
CH3ONO Methyl nitrite rNO 1.398   1.407 0.009 2 6
CH2CHCHO Acrolein rCH 1.108 ±0.005 1.117 0.009 1 5
CH2CHF Ethene, fluoro- rCH 1.082   1.091 0.009 1 4
C2H5F fluoroethane rCH 1.090 ±0.007 1.099 0.009 2 7
C3H4 cyclopropene rCH 1.088   1.098 0.010 1 6
BeH2 beryllium dihydride rHBe 1.326 ±0.000 1.336 0.010 1 2
C5H8 Bicyclo[2.1.0]pentane rCC 1.528   1.538 0.010 1 3
CHF2Cl difluorochloromethane rCF 1.350 ±0.010 1.360 0.010 1 4
HNO3 Nitric acid rNO 1.406   1.416 0.010 1 2
CH3ONO Methyl nitrite rCO 1.437   1.447 0.010 1 2
C2H5F fluoroethane rCC 1.505 ±0.007 1.515 0.010 1 2
CH2Br2 dibromomethane rCBr 1.925 ±0.002 1.935 0.010 1 4
CH Methylidyne rCH 1.120   1.130 0.010 1 2
CH2CHCHO Acrolein rCC 1.470 ±0.003 1.480 0.010 1 2
CH3CH(CH3)CH3 Isobutane rCH 1.092   1.102 0.010 3 9
CH2CHCHO Acrolein rCH 1.084 ±0.005 1.094 0.010 2 6
CH2CHCHO Acrolein rC=O 1.219 ±0.005 1.230 0.011 1 4
CH3SCH2CH3 Ethane, (methylthio)- rCH 1.090   1.101 0.011 9 11
C3H7SH 1-Propanethiol rCH 1.090   1.101 0.011 8 10
BH Boron monohydride rBH 1.232   1.243 0.011 1 2
C6H5OH phenol rCH 1.082   1.093 0.011 4 11
C2H5F fluoroethane rCH 1.091 ±0.007 1.102 0.011 2 6
MgH magnesium monohydride rMgH 1.730   1.741 0.011 1 2
CH4 Methane rCH 1.087 ±0.001 1.098 0.011 1 2
C3H7SH 1-Propanethiol rCH 1.092   1.103 0.011 5 7
CH3Br methyl bromide rCBr 1.934 ±0.000 1.945 0.011 1 2
C4H6 Cyclobutene rCH 1.083   1.094 0.011 1 5
BH3 boron trihydride rBH 1.190   1.202 0.011 1 2
C5H7N Cyclobutanecarbonitrile rCC 1.551   1.563 0.012 3 6
CHBr3 bromoform rCBr 1.924 ±0.005 1.936 0.012 1 3
LiCl- lithium chloride anion rLiCl 2.180   2.192 0.012 1 2
CH2NN diazomethane rHC 1.075   1.087 0.012 1 4
CH3SCH2CH3 Ethane, (methylthio)- rCH 1.089   1.101 0.012 9 10
C6H5OH phenol rCH 1.084   1.096 0.012 2 9
CH3CH2Cl Ethyl chloride rCH 1.086   1.098 0.012 2 7
CH3CHO Acetaldehyde rCH 1.086   1.098 0.012 2 5
C2H2 Acetylene rCH 1.063   1.075 0.012 1 3
CH3CH2Cl Ethyl chloride rCH 1.090   1.103 0.012 1 3
CH2CHCl Ethene, chloro- rCH 1.079   1.091 0.012 2 5
P2H4 H2PPH2 rPH 1.414   1.426 0.012 1 4
C6H6 Fulvene rCH 1.080 ±0.005 1.092 0.012 5 11
CH2NN diazomethane rN=N 1.139   1.151 0.012 2 3
CH3NHCH3 Dimethylamine rCH 1.098   1.111 0.013 3 5
HCl+ hydrogen chloride cation rHCl 1.315   1.327 0.013 1 2
SH Mercapto radical rSH 1.341   1.354 0.013 1 2
CH3OCH3 Dimethyl ether rCO 1.411 ±0.001 1.424 0.013 1 2
CH3OCH3 Dimethyl ether rCH 1.085 ±0.001 1.098 0.013 2 4
DS Mercapto-d rSD 1.341   1.354 0.013 1 2
CH3NH2 methyl amine rCH 1.093 ±0.000 1.106 0.013 1 3
HCCCN Cyanoacetylene rCH 1.062 ±0.001 1.075 0.013 4 5
CH3COCl Acetyl Chloride rC=O 1.187   1.200 0.013 1 3
PH phosphorus monohydride rPH 1.422   1.435 0.013 1 2
CH3Br methyl bromide rCH 1.082 ±0.001 1.096 0.013 1 3
C2HF3 Trifluoroethylene rCF 1.316 ±0.011 1.329 0.013 1 3
CH2CHCH2CH3 1-Butene rCC 1.493   1.506 0.013 2 3
CH3CH2OH Ethanol rCH 1.088   1.101 0.013 1 5
C6H6 Fulvene rCH 1.078 ±0.005 1.091 0.013 3 9
DCl Hydrochloric acid-d rDCl 1.275 ±0.000 1.288 0.013 1 2
CH2CHF Ethene, fluoro- rCH 1.077   1.090 0.013 2 5
HCl Hydrogen chloride rHCl 1.275 ±0.000 1.288 0.013 1 2
D2 Deuterium diatomic rDD 0.742   0.755 0.013 1 2
H2 Hydrogen diatomic rHH 0.741   0.755 0.013 1 2
CH2CCHCH3 1,2-Butadiene rC=C 1.314   1.327 0.013 1 2
C6H6 Fulvene rC=C 1.349 ±0.002 1.362 0.013 1 2
HD Deuterium hydride rDH 0.741   0.755 0.014 1 2
CH3CHS Thioacetaldehyde rCH 1.089   1.103 0.014 1 4
HOBr Hypobromous acid rOH 0.961   0.975 0.014 1 2
MgH+ magnesium monohydride cation rHMg 1.652   1.665 0.014 1 2
CH3CCH propyne rCH 1.060   1.074 0.014 3 4
SiH Silylidyne rSiH 1.520   1.534 0.014 1 2
SiH+ silicon monohydride cation rHSi 1.504   1.518 0.014 1 2
C2H3 vinyl rCH 1.085   1.099 0.014 2 4
CH3SCH2CH3 Ethane, (methylthio)- rCH 1.087   1.101 0.014 1 2
C3H4 cyclopropene rCH 1.072   1.086 0.014 2 4
F2 Fluorine diatomic rFF 1.412   1.427 0.015 1 2
CH3OCHO methyl formate rCO 1.437   1.452 0.015 1 2
C3H4O Cyclopropanone rCC 1.575   1.590 0.015 3 4
CH2FCl fluorochloromethane rCF 1.370 ±0.001 1.385 0.015 1 2
CH2ClCH2Cl Ethane, 1,2-dichloro- rCCl 1.790   1.805 0.015 1 3
CH3NHCH3 Dimethylamine rCH 1.084   1.100 0.016 3 9
AlH aluminum monohydride rAlH 1.648   1.664 0.016 1 2
N2O3 Dinitrogen trioxide rN=O 1.202   1.218 0.016 2 4
NH2CONH2 Urea rNH 0.998   1.014 0.017 4 8
CH2CO Ketene rC=O 1.162   1.179 0.017 2 3
F2O Difluorine monoxide rFO 1.405   1.422 0.017 1 2
C3H7N Cyclopropylamine rCH 1.080   1.097 0.017 1 2
CH2O2 Dioxirane rCO 1.388 ±0.004 1.405 0.017 1 4
ClO Monochlorine monoxide rClO 1.596 ±0.001 1.613 0.017 1 2
C6H5OH phenol rCO 1.364   1.382 0.018 1 7
CCl2O Phosgene rC=O 1.177   1.194 0.018 1 2
C3H6 Cyclopropane rCC 1.501   1.519 0.018 1 2
C6H5OH phenol rCH 1.076   1.094 0.018 3 10
BO boron monoxide rB=O 1.205   1.223 0.018 1 2
CSe2 Carbon diselenide rC=Se 1.692 ±0.000 1.710 0.018 1 2
CH3OCHO methyl formate rCO 1.334   1.352 0.018 2 3
NF nitrogen fluoride rNF 1.317   1.335 0.018 1 2
NO- nitric oxide anion rN=O 1.258 ±0.010 1.276 0.018 1 2
CH2FCl fluorochloromethane rCCl 1.762 ±0.000 1.780 0.018 1 3
HNCNH diiminomethane rC=N 1.224 ±0.001 1.243 0.019 1 2
C2H5F fluoroethane rCF 1.398 ±0.007 1.417 0.019 1 3
CSe Carbon monoselenide rC=Se 1.676 ±0.000 1.695 0.019 1 2
CH3CH2OH Ethanol rCH 1.086   1.105 0.019 2 8
CH3SCH2CH3 Ethane, (methylthio)- rCS 1.804   1.823 0.019 8 9
HNCO Isocyanic acid rC=O 1.164   1.183 0.019 3 4
C6H6 Fulvene rC=C 1.355 ±0.004 1.374 0.019 3 5
C3H3NO Oxazole rCO 1.357   1.377 0.020 1 5
H2CS Thioformaldehyde rC=S 1.611   1.631 0.020 1 2
OCSe Carbonyl selenide rC=O 1.159   1.179 0.020 1 2
CHF2Cl difluorochloromethane rCCl 1.747 ±0.010 1.768 0.021 1 3
CH3ONO Methyl nitrite rN=O 1.182   1.203 0.021 6 7
BCl boron monochloride rBCl 1.719 ±0.000 1.741 0.021 1 2
CCl2O Phosgene rCCl 1.737   1.758 0.021 2 3
C4H6 Methylenecyclopropane rCC 1.457   1.478 0.021 2 5
ClCN chlorocyanogen rCCl 1.629   1.650 0.021 1 2
Si(CH3)4 tetramethylsilane rSiC 1.875 ±0.002 1.897 0.022 1 2
CH3CH(NH2)COOH Alanine rCC 1.509   1.531 0.022 2 3
CO Carbon monoxide rC#O 1.128 ±0.000 1.150 0.022 1 2
CCl2 dichloromethylene rCCl 1.711   1.733 0.022 1 2
N2O3 Dinitrogen trioxide rN=O 1.142   1.165 0.023 1 3
CF Fluoromethylidyne rCF 1.276   1.300 0.024 1 2
LiH Lithium Hydride rLiH 1.595 ±0.000 1.619 0.024 1 2
CH3COCl Acetyl Chloride rCCl 1.798   1.822 0.024 1 4
CH2O2 Dioxirane rOO 1.516 ±0.003 1.540 0.024 4 5
BS boron sulfide rBS 1.609   1.634 0.024 1 2
HOBr Hypobromous acid rBrO 1.834   1.859 0.025 2 3
TiCl Titanium Monochloride rClTi 2.265 ±0.000 2.290 0.025 1 2
O2 Oxygen diatomic rO=O 1.208   1.234 0.026 1 2
CCl carbon monochloride rCCl 1.649   1.676 0.026 1 2
CH3SCH2CH3 Ethane, (methylthio)- rCS 1.804   1.830 0.026 5 8
CS carbon monosulfide rC#S 1.535   1.561 0.026 1 2
C3H5 Allyl radical rCH 1.069   1.096 0.027 1 2
N(CH3)3 Trimethylamine rCH 1.088   1.115 0.027 2 5
AlS Aluminum sulfide rAlS 2.029   2.056 0.027 1 2
C4H6 Bicyclo[1.1.0]butane rCC 1.497   1.524 0.027 1 2
C2H Ethynyl radical rCH 1.047   1.074 0.027 1 3
BrO Bromine monoxide rOBr 1.718   1.746 0.028 1 2
GaF Gallium monofluoride rFGa 1.774 ±0.000 1.802 0.028 1 2
CH3NC methyl isocyanide rC#N 1.166 ±0.003 1.194 0.028 2 3
CH2NN diazomethane rC=N 1.300   1.329 0.029 1 2
C2H2 Acetylene rC#C 1.203   1.231 0.029 1 2
BrF5 bromine pentafluoride rFBr 1.774 ±0.003 1.803 0.029 1 3
ClCN chlorocyanogen rC#N 1.161   1.190 0.030 2 3
NO+ nitric oxide cation rN=O 1.066   1.096 0.031 1 2
CN- cyanide anion rC#N 1.177 ±0.004 1.208 0.031 1 2
BF3 Borane, trifluoro- rBF 1.307   1.338 0.031 1 2
B2 Boron diatomic rBB 1.590   1.622 0.032 1 2
BrF3 Bromine trifluoride rFBr 1.810 ±0.000 1.842 0.032 1 3
C2- carbon diatomic anion rC#C 1.268 ±0.000 1.301 0.033 1 2
BeCl beryllium chloride rBeCl 1.797   1.831 0.033 1 2
NaH sodium hydride rNaH 1.887 ±0.000 1.920 0.034 1 2
N2 Nitrogen diatomic rN#N 1.098   1.132 0.034 1 2
BrF Bromine monofluoride rFBr 1.759 ±0.000 1.793 0.034 1 2
BeS beryllium sulfide rBe=S 1.742   1.776 0.035 1 2
C2 Carbon diatomic rC=C 1.243   1.278 0.036 1 2
Se2 Selenium diatomic rSe=Se 2.166 ±0.001 2.202 0.036 1 2
Si2 Silicon diatomic rSiSi 2.246   2.282 0.036 1 2
As4 Arsenic tetramer rAsAs 2.435   2.472 0.037 1 2
BrF3 Bromine trifluoride rFBr 1.721   1.758 0.037 1 2
BF Boron monofluoride rBF 1.267 ±0.000 1.304 0.037 1 2
SeS Selenium monosulfide rS=Se 2.037 ±0.001 2.074 0.038 1 2
SeO Selenium monoxide rSeO 1.639 ±0.001 1.677 0.038 1 2
SOCl2 thionyl chloride rS=O 1.443 ±0.006 1.481 0.038 1 2
LiOH lithium hydroxide rLiO 1.582   1.621 0.039 1 2
MgF Magnesium monofluoride rMgF 1.750   1.789 0.039 1 2
GeF Germanium monofluoride rF-Ge 1.745   1.784 0.039 1 2
AlO Aluminum monoxide rAlO 1.618   1.658 0.040 1 2
HOCl hypochlorous acid rClO 1.691   1.732 0.042 1 3
MgS magnesium sulfide rMgS 2.143   2.184 0.042 1 2
C5H8 Bicyclo[2.1.0]pentane rCC 1.507   1.550 0.043 1 2
Br2 Bromine diatomic rBrBr 2.281   2.324 0.043 1 2
NCl nitrogen monochloride rNCl 1.611 ±0.000 1.654 0.043 1 2
P2+ phosphorus dimer cation rPP 1.986   2.030 0.044 1 2
BrCl Bromine monochloride rClBr 2.136 ±0.000 2.180 0.044 1 2
SiS silicon monosulfide rSiS 1.929 ±0.000 1.973 0.044 1 2
AsF Arsenic monofluoride rFAs 1.736 ±0.001 1.780 0.044 1 2
LiO lithium oxide rLiO 1.688   1.733 0.045 1 2
C2Cl2 dichloroacetylene rCCl 1.612 ±0.030 1.657 0.045 1 3
HClO4 perchloric acid rO=Cl 1.414 ±0.001 1.459 0.045 1 2
LiF lithium fluoride rLiF 1.564 ±0.000 1.610 0.046 1 2
ClF Chlorine monofluoride rFCl 1.628 ±0.000 1.677 0.048 1 2
BeO beryllium oxide rBe=O 1.331   1.379 0.048 1 2
SeO2 Selenium dioxide rSeO 1.607 ±0.001 1.655 0.048 1 2
GaAs Gallium arsenide rGa#As 2.530 ±0.020 2.579 0.049 1 2
SiH2Cl2 dichlorosilane rSiCl 2.033 ±0.003 2.083 0.050 1 4
SCl sulfur monochloride rSCl 1.975   2.026 0.050 1 2
O2+ diatomic oxygen cation rOO 1.116   1.167 0.051 1 2
Cl2 Chlorine diatomic rClCl 1.988   2.039 0.051 1 2
AlF Aluminum monofluoride rAlF 1.654 ±0.000 1.706 0.051 1 2
SiH3Cl chlorosilane rSiCl 2.051   2.102 0.051 1 2
GeCl Germanium monochloride rCl-Ge 2.164 ±0.000 2.215 0.052 1 2
S2 Sulfur diatomic rS=S 1.889   1.941 0.052 1 2
PO2 Phosphorus dioxide rP=O 1.467   1.519 0.052 1 2
F2SO Thionyl Fluoride rO=S 1.413 ±0.000 1.465 0.052 1 2
BrF5 bromine pentafluoride rFBr 1.689 ±0.008 1.743 0.054 1 2
BeF Beryllium monofluoride rBeF 1.361   1.415 0.054 1 2
NS+ nitrogen sulfide cation rNS 1.440   1.496 0.056 1 2
PCl phosphorus chloride rPCl 2.018   2.073 0.056 1 2
As2 Arsenic diatomic rAs#As 2.103   2.159 0.057 1 2
MgCl magnesium monochloride rMgCl 2.199   2.256 0.057 1 2
SF4 Sulfur tetrafluoride rSF 1.646 ±0.003 1.704 0.058 1 2
Cl2+ chlorine diatomic cation rClCl 1.892   1.950 0.059 1 2
P2 Phosphorus diatomic rP#P 1.893   1.952 0.059 1 2
PS phosphorus sulfide rP=S 1.900   1.959 0.059 1 2
SO Sulfur monoxide rS=O 1.481   1.541 0.060 1 2
PN Phosphorus mononitride rP#N 1.491   1.552 0.061 1 2
SSO Disulfur monoxide rS=S 1.884   1.946 0.062 2 3
SF4 Sulfur tetrafluoride rSF 1.545 ±0.003 1.607 0.062 1 4
SiCl Clorosilylidyne rSiCl 2.061 ±0.000 2.123 0.062 1 2
SiO Silicon monoxide rSiO 1.510 ±0.000 1.572 0.062 1 2
AlC Aluminum carbide rC=Al 1.955   2.018 0.063 1 2
S2+ sulfur dimer cation rS=S 1.825 ±0.010 1.888 0.063 1 2
NaF sodium fluoride rNaF 1.926 ±0.000 1.989 0.063 1 2
SiH3F monofluorosilane rSiF 1.595   1.658 0.064 1 2
NaCl Sodium Chloride rNaCl 2.361 ±0.000 2.425 0.064 1 2
PO- phosphorus monoxide anion rOP 1.540   1.605 0.065 1 2
LiCl lithium chloride rLiCl 2.021 ±0.000 2.085 0.065 1 2
HClO4 perchloric acid rO=Cl 1.404 ±0.001 1.469 0.065 1 4
SiF2 Silicon difluoride rFSi 1.590 ±0.000 1.658 0.068 1 2
PO Phosphorus monoxide rP=O 1.476   1.544 0.068 1 2
SiP Silicon monophosphide rSiP 2.078 ±0.002 2.146 0.068 1 2
SiF silicon monofluoride rSiF 1.604   1.673 0.068 1 2
LiBr Lithium Bromide rLiBr 2.170 ±0.000 2.239 0.069 1 2
PF+ phosphorus monofluoride cation rFP 1.500   1.570 0.070 1 2
SSO Disulfur monoxide rS=O 1.456   1.527 0.070 1 2
PF phosphorus monofluoride rFP 1.593   1.663 0.071 1 2
NaBr Sodium Bromide rNaBr 2.502 ±0.000 2.575 0.073 1 2
SO+ sulfur monoxide cation rO=S 1.424   1.498 0.074 1 2
AlCl Aluminum monochloride rAlCl 2.130 ±0.000 2.207 0.076 1 2
AlN Aluminum nitride rN#Al 1.786   1.865 0.079 1 2
SF Monosulfur monofluoride rSF 1.599   1.680 0.080 1 2
F2SO Thionyl Fluoride rFS 1.585 ±0.000 1.668 0.083 1 3
HClO4 perchloric acid rOCl 1.641 ±0.002 1.736 0.095 1 3
NaLi lithium sodium rLiNa 2.889   2.993 0.104 1 2
Li2 Lithium diatomic rLiLi 2.673   2.782 0.109 1 2
FO Oxygen monofluoride rFO 1.354   1.507 0.153 1 2
Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- rAlCl 2.040 ±0.040 2.313 0.273 1 3
C3H3NO Oxazole rCH 1.075   1.397 0.322 3 4
CH3OC2H5 Ethane, methoxy- rCH 1.087   1.424 0.337 1 2
360 molecules.