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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 CCSD=FULL/aug-cc-pVTZ

Species Name Bond type Bond Length (Å)
Experimental unc. Calculated Difference atom1 atom2
CH3ONO Methyl nitrite rNO 1.398   1.347 -0.051 2 6
FNO2 Nitryl fluoride rNF 1.467 ±0.015 1.418 -0.049 1 2
CH2O2 Dioxirane rOO 1.516 ±0.003 1.475 -0.041 4 5
ScH Scandium monohydride rScH 1.775 ±0.000 1.738 -0.037 1 2
C2H2O2 Ethanedial rCH 1.132   1.095 -0.037 1 3
HNO3 Nitric acid rNO 1.406   1.378 -0.028 1 2
As4 Arsenic tetramer rAsAs 2.435   2.407 -0.028 1 2
F2O Difluorine monoxide rFO 1.405   1.378 -0.027 1 2
HOBr Hypobromous acid rBrO 1.834   1.809 -0.025 2 3
CH3CH2CH2CH3 Butane rCH 1.117   1.092 -0.025 1 5
CH3SeH Methane selenol rSeH 1.473 ±0.020 1.449 -0.024 1 3
LiOH lithium hydroxide rOH 0.969   0.945 -0.024 1 3
AsH Arsenic monohydride rAsH 1.535 ±0.001 1.511 -0.024 1 2
BeH beryllium monohydride rBeH 1.343   1.320 -0.022 1 2
C4H6 Bicyclo[1.1.0]butane rCC 1.497   1.475 -0.022 1 2
CH3OC2H5 Ethane, methoxy- rCO 1.415 ±0.005 1.393 -0.022 1 2
HCCl Chloromethylene rCH 1.119 ±0.036 1.097 -0.022 1 3
N(CH3)3 Trimethylamine rCH 1.109   1.088 -0.021 2 8
C3H6O Propylene oxide rCC 1.513   1.492 -0.021 2 6
CH3COCl Acetyl Chloride rCH 1.105   1.085 -0.020 2 5
HSe Selenium monohydride rSeH 1.475 ±0.010 1.455 -0.020 1 2
C2H5F fluoroethane rCF 1.398 ±0.007 1.378 -0.020 1 3
F2 Fluorine diatomic rFF 1.412   1.392 -0.020 1 2
C5H8 Ethenylcyclopropane rCH 1.099   1.079 -0.020 1 6
CH2FCl fluorochloromethane rCF 1.370 ±0.001 1.352 -0.018 1 2
CH3COCl Acetyl Chloride rCC 1.506   1.488 -0.018 1 2
H2Cl+ dihydrogen monochloride cation rHCl 1.321 ±0.000 1.302 -0.018 1 2
GaAs Gallium arsenide rGa#As 2.530 ±0.020 2.512 -0.018 1 2
CHBr3 bromoform rCBr 1.924 ±0.005 1.907 -0.017 1 3
CH3CH2CHO Propanal rCH 1.115   1.098 -0.017 3 10
B2H6 Diborane rBH 1.200   1.183 -0.017 1 5
SeO2 Selenium dioxide rSeO 1.607 ±0.001 1.590 -0.017 1 2
CH2NH Methanimine rCH 1.103   1.087 -0.016 1 3
CH3CH2CHO Propanal rCH 1.103   1.087 -0.016 1 6
GeH germylidene rGeH 1.588   1.572 -0.016 1 2
C2H3Cl Ethene, chloro- rCH 1.090   1.074 -0.016 1 4
CH3ONO Methyl nitrite rCH 1.102   1.086 -0.016 1 4
TiCl Titanium Monochloride rClTi 2.265 ±0.000 2.249 -0.016 1 2
CH2O2 Dioxirane rCO 1.388 ±0.004 1.373 -0.015 1 4
KrH+ Protonated Krypton rHKr 1.421 ±0.000 1.406 -0.015 1 2
HF+ hydrogen fluoride cation rHF 1.014   1.000 -0.015 1 2
ArH+ Argon hydride cation rArH 1.292 ±0.000 1.277 -0.015 1 2
OCSe Carbonyl selenide rC=O 1.159   1.145 -0.014 1 2
CH3CHO Acetaldehyde rCH 1.114   1.100 -0.014 1 4
C2H Ethynyl radical rC#C 1.217   1.203 -0.014 1 2
HeH+ Helium hydride cation rHHe 0.790   0.776 -0.014 1 2
HBr+ hydrogen bromide cation rHBr 1.448   1.435 -0.014 1 2
ClO Monochlorine monoxide rClO 1.596 ±0.001 1.582 -0.014 1 2
HS+ sulfur monohydride cation rSH 1.374   1.361 -0.014 1 2
C2H2O2 Ethanedial rCC 1.526   1.513 -0.013 1 2
H2CSe Selenoformaldehyde rC=Se 1.753   1.740 -0.013 1 2
SiH2Cl2 dichlorosilane rSiH 1.480 ±0.015 1.467 -0.013 1 2
CH3CH2CHO Propanal rCC 1.509   1.496 -0.013 2 3
BrF Bromine monofluoride rFBr 1.759 ±0.000 1.746 -0.013 1 2
CH2PH Phosphaethene rCH 1.090 ±0.015 1.077 -0.013 1 3
SeO Selenium monoxide rSeO 1.639 ±0.001 1.626 -0.013 1 2
H2Se Hydrogen selenide rSeH 1.460   1.447 -0.013 1 2
CH2Br2 dibromomethane rCBr 1.925 ±0.002 1.912 -0.013 1 4
HOCl hypochlorous acid rOH 0.973 ±0.002 0.960 -0.013 1 2
B2H6 Diborane rBH 1.320   1.307 -0.013 1 3
NSe Nitrogen monoselenide rN=Se 1.652   1.639 -0.013 1 2
HBr hydrogen bromide rHBr 1.414 ±0.000 1.402 -0.013 1 2
H2CSe Selenoformaldehyde rHC 1.090   1.078 -0.013 1 3
CH2 Methylene rCH 1.085   1.073 -0.012 1 2
CH3NH2 methyl amine rCN 1.471 ±0.003 1.459 -0.012 1 2
CH3OCH3 Dimethyl ether rCO 1.411 ±0.001 1.399 -0.012 1 2
AsH3 Arsine rAsH 1.511 ±0.000 1.499 -0.012 1 2
CH2PH Phosphaethene rCH 1.090 ±0.015 1.078 -0.012 1 4
CH Methylidyne rCH 1.120   1.108 -0.012 1 2
CH3OCHO methyl formate rCO 1.437   1.425 -0.012 1 2
C3H6O 2-Propen-1-ol rCH 1.092 ±0.010 1.080 -0.012 2 7
GaBr Gallium monobromide rGaBr 2.352 ±0.000 2.341 -0.012 1 2
N3 azide radical rNN 1.181   1.170 -0.012 1 2
CH3CH2CH2CH3 Butane rCC 1.531   1.519 -0.012 1 2
CH3CH2CHO Propanal rCH 1.105   1.094 -0.011 2 8
FO Oxygen monofluoride rFO 1.354   1.343 -0.011 1 2
NO Nitric oxide rN=O 1.154 ±0.000 1.143 -0.011 1 2
BeO beryllium oxide rBe=O 1.331   1.320 -0.011 1 2
NH3BF3 Amminetrifluoroboron rBN 1.673   1.662 -0.011 1 2
C3H3NO Oxazole rCO 1.357 ±0.003 1.346 -0.011 1 2
C3H6O 2-Propen-1-ol rCH 1.091 ±0.010 1.080 -0.011 3 9
O2+ diatomic oxygen cation rOO 1.116   1.105 -0.011 1 2
SiP Silicon monophosphide rSiP 2.078 ±0.002 2.067 -0.011 1 2
O2 Oxygen diatomic rO=O 1.208   1.197 -0.011 1 2
Li2 Lithium diatomic rLiLi 2.673   2.662 -0.011 1 2
ClCN chlorocyanogen rC#N 1.161   1.150 -0.011 2 3
CH3OCHO methyl formate rCH 1.101   1.091 -0.010 3 8
CSe2 Carbon diselenide rC=Se 1.692 ±0.000 1.682 -0.010 1 2
CH3COCl Acetyl Chloride rC=O 1.187   1.177 -0.010 1 3
CSe Carbon monoselenide rC=Se 1.676 ±0.000 1.666 -0.010 1 2
CH3CH2OH Ethanol rCH 1.098   1.088 -0.010 1 6
BH Boron monohydride rBH 1.232   1.222 -0.010 1 2
CH2CO Ketene rCH 1.083   1.073 -0.010 1 4
CH3Br methyl bromide rCBr 1.934 ±0.000 1.924 -0.010 1 2
CH2CCHCH3 1,2-Butadiene rC=C 1.314   1.304 -0.010 1 2
CN Cyano radical rC#N 1.172   1.162 -0.010 1 2
LiNH2 lithium amide rLiN 1.736 ±0.003 1.726 -0.010 1 2
CF Fluoromethylidyne rCF 1.276   1.267 -0.010 1 2
CH3NH2 methyl amine rNH 1.018 ±0.001 1.009 -0.009 2 6
BN boron nitride rB=N 1.325   1.316 -0.009 1 2
NO+ nitric oxide cation rN=O 1.066   1.056 -0.009 1 2
HO2 Hydroperoxy radical rOO 1.331   1.321 -0.009 1 2
NH4+ ammonium cation rHN 1.029 ±0.000 1.020 -0.009 1 2
CH3NHCH3 Dimethylamine rCH 1.098   1.089 -0.009 3 7
CH3NC methyl isocyanide rCH 1.094   1.085 -0.009 1 4
Se2 Selenium diatomic rSe=Se 2.166 ±0.001 2.157 -0.009 1 2
SCSe Carbon sulfide selenide rC=Se 1.695 ±0.002 1.686 -0.009 1 3
CH3CH(CH3)CH3 Isobutane rCH 1.100   1.091 -0.009 3 6
CH3CCH propyne rCH 1.096   1.087 -0.009 1 5
C3H6O 2-Propen-1-ol rCH 1.102 ±0.020 1.093 -0.009 1 6
CH2C(CH3)CH3 1-Propene, 2-methyl- rCH 1.088   1.080 -0.008 2 3
CHF3 Methane, trifluoro- rCH 1.091 ±0.014 1.083 -0.008 1 2
FNO2 Nitryl fluoride rN=O 1.180 ±0.005 1.172 -0.008 1 3
CH3ONO Methyl nitrite rCO 1.437   1.429 -0.008 1 2
OH Hydroxyl radical rOH 0.970   0.961 -0.008 1 2
C2H2+ acetylene cation rC=C 1.253 ±0.001 1.245 -0.008 1 2
CH3NC methyl isocyanide rCN 1.426 ±0.003 1.418 -0.008 1 2
HSiCl Chlorosilylene rSiH 1.525 ±0.005 1.517 -0.008 1 3
CH2FCl fluorochloromethane rCH 1.090 ±0.010 1.082 -0.008 1 4
HOCl hypochlorous acid rClO 1.697 ±0.001 1.690 -0.008 1 3
CH3OCHO methyl formate rCO 1.334   1.326 -0.008 2 3
GeO Germanium monoxide rOGe 1.625   1.617 -0.008 1 2
CH3ONO Methyl nitrite rCH 1.090   1.082 -0.008 1 3
C2H2ClF 1-chloro-1-fluoroethylene rCH 1.082 ±0.001 1.074 -0.007 2 5
CH3NO nitrosomethane rCH 1.094   1.087 -0.007 1 4
CH2O2 Dioxirane rCH 1.090 ±0.002 1.083 -0.007 1 2
CH3CHS Thioacetaldehyde rCH 1.098   1.091 -0.007 2 6
NaLi lithium sodium rLiNa 2.889   2.882 -0.007 1 2
GeH3F monofluorogermane rGeH 1.515 ±0.000 1.507 -0.007 1 3
CH2Cl2 Methylene chloride rCH 1.085 ±0.002 1.078 -0.007 1 2
C3H3NO Oxazole rCO 1.370 ±0.002 1.362 -0.007 1 5
CH3CH2CHO Propanal rCH 1.096   1.089 -0.007 1 5
SeCl2 Selenium Dichloride rClSe 2.157 ±0.003 2.150 -0.007 1 2
NH2SH Thiohydroxylamine rSH 1.344 ±0.029 1.337 -0.007 2 3
BeH2 beryllium dihydride rBeH 1.326 ±0.000 1.319 -0.007 1 2
C2H2 Acetylene rCH 1.063   1.056 -0.007 1 3
CCl2O Phosgene rC=O 1.177   1.170 -0.007 1 2
CO+ carbon monoxide cation rC=O 1.115 ±0.000 1.109 -0.007 1 2
CH3CHClCH3 Propane, 2-chloro- rCH 1.091   1.084 -0.007 2 5
CH3CHS Thioacetaldehyde rCH 1.089   1.082 -0.007 1 4
C5H8 Ethenylcyclopropane rCC 1.475   1.469 -0.006 1 2
CH3CH2CHO Propanal rCC 1.523   1.517 -0.006 1 2
LiOH lithium hydroxide rLiO 1.582   1.575 -0.006 1 2
CH2CO Ketene rC=O 1.162   1.156 -0.006 2 3
SiC silicon monocarbide rCSi 1.722   1.716 -0.006 1 2
C3H6 Cyclopropane rCH 1.083   1.077 -0.006 1 4
HNCNH diiminomethane rC=N 1.224 ±0.001 1.218 -0.006 1 2
AsF Arsenic monofluoride rFAs 1.736 ±0.001 1.730 -0.006 1 2
CH2CHF Ethene, fluoro- rCH 1.082   1.076 -0.006 1 4
GeS Germanium monosulfide rS=Ge 2.012 ±0.000 2.006 -0.006 1 2
BH3 boron trihydride rBH 1.190   1.184 -0.006 1 2
C4H6 Cyclobutene rCH 1.083   1.077 -0.006 1 5
SOCl2 thionyl chloride rS=O 1.443 ±0.006 1.437 -0.006 1 2
C4H6 Cyclobutene rCH 1.094   1.088 -0.006 3 7
BrO Bromine monoxide rOBr 1.718   1.712 -0.006 1 2
GeH3F monofluorogermane rGeF 1.731 ±0.000 1.725 -0.006 1 2
CH3CHFCH3 2-Fluoropropane rCH 1.093 ±0.006 1.087 -0.006 4 8
C2H2+ acetylene cation rCH 1.077 ±0.005 1.071 -0.005 1 3
C3H8 Propane rCH 1.096   1.091 -0.005 1 4
C2H5F fluoroethane rCH 1.095 ±0.007 1.090 -0.005 1 4
SiHCl3 Trichlorosilane rSiH 1.464   1.459 -0.005 1 2
C3H3NO Oxazole rCH 1.075 ±0.001 1.070 -0.005 4 7
C3H4 cyclopropene rCH 1.088   1.083 -0.005 1 6
CS carbon monosulfide rC#S 1.535   1.530 -0.005 1 2
CH3OC2H5 Ethane, methoxy- rCH 1.092 ±0.007 1.087 -0.005 4 11
SCSe Carbon sulfide selenide rC=S 1.553 ±0.002 1.548 -0.005 1 2
CH3CHFCH3 2-Fluoropropane rCH 1.094 ±0.005 1.089 -0.005 4 10
CH3ONO Methyl nitrite rN=O 1.182   1.177 -0.005 6 7
CH3CHS Thioacetaldehyde rCH 1.090   1.085 -0.005 2 5
CH3OC2H5 Ethane, methoxy- rCH 1.100 ±0.003 1.095 -0.005 3 8
C4H6 Cyclobutene rCC 1.517   1.512 -0.005 1 3
C4H8 cyclobutane rCH 1.093   1.088 -0.005 1 5
CN- cyanide anion rC#N 1.177 ±0.004 1.172 -0.005 1 2
NaH sodium hydride rNaH 1.887 ±0.000 1.882 -0.005 1 2
N2 Nitrogen diatomic rN#N 1.098   1.093 -0.005 1 2
C4H8 cyclobutane rCH 1.091   1.086 -0.005 1 6
CH3OCH3 Dimethyl ether rCH 1.099 ±0.001 1.094 -0.005 2 6
C3H3NO Oxazole rCH 1.075 ±0.001 1.070 -0.005 2 6
C3H3NO Oxazole rCH 1.073 ±0.001 1.069 -0.005 5 8
CH3OC2H5 Ethane, methoxy- rCH 1.099 ±0.007 1.094 -0.005 1 6
ClF Chlorine monofluoride rFCl 1.628 ±0.000 1.624 -0.004 1 2
HCCl Chloromethylene rCCl 1.696 ±0.003 1.692 -0.004 1 2
C2H5F fluoroethane rCC 1.505 ±0.007 1.501 -0.004 1 2
CH3NO nitrosomethane rCH 1.092   1.088 -0.004 1 5
HCCCN Cyanoacetylene rCH 1.062 ±0.001 1.058 -0.004 4 5
C3H6O 2-Propen-1-ol rCH 1.096 ±0.030 1.092 -0.004 1 5
CH3CCH propyne rCH 1.060   1.056 -0.004 3 4
MgH magnesium monohydride rMgH 1.730   1.726 -0.004 1 2
GeF Germanium monofluoride rFGe 1.745   1.741 -0.004 1 2
BF Boron monofluoride rBF 1.267 ±0.000 1.263 -0.004 1 2
LiBr Lithium Bromide rLiBr 2.170 ±0.000 2.167 -0.004 1 2
OH- hydroxide anion rOH 0.964   0.961 -0.003 1 2
H2CS Thioformaldehyde rC=S 1.611   1.607 -0.003 1 2
CH3NC methyl isocyanide rC#N 1.166 ±0.003 1.163 -0.003 2 3
BO boron monoxide rB=O 1.205   1.201 -0.003 1 2
HO2 Hydroperoxy radical rOH 0.971   0.968 -0.003 1 3
PO Phosphorus monoxide rP=O 1.476   1.473 -0.003 1 2
CH3CH2Cl Ethyl chloride rCH 1.086   1.083 -0.003 2 7
CH3OCHO methyl formate rCH 1.086   1.083 -0.003 1 5
HCl+ hydrogen chloride cation rHCl 1.315   1.312 -0.003 1 2
C2H3Cl Ethene, chloro- rCH 1.079   1.076 -0.003 2 5
C2H2 Acetylene rC#C 1.203   1.200 -0.003 1 2
C3H4 cyclopropene rCH 1.072   1.069 -0.003 2 4
SiH3F monofluorosilane rSiH 1.476   1.473 -0.003 1 3
AlNC Aluminum isocyanide rAlN 1.855 ±0.005 1.852 -0.003 1 2
OCSe Carbonyl selenide rC=Se 1.709   1.706 -0.003 1 3
CHONH2 formamide rNH 1.001   0.999 -0.002 3 6
C2H5F fluoroethane rCH 1.091 ±0.007 1.089 -0.002 2 6
CH3CH(CH3)CH3 Isobutane rCH 1.092   1.090 -0.002 3 9
NO- nitric oxide anion rN=O 1.258 ±0.010 1.256 -0.002 1 2
CH2Cl2 Methylene chloride rCCl 1.767 ±0.002 1.765 -0.002 1 4
B2 Boron diatomic rBB 1.590   1.588 -0.002 1 2
CO Carbon monoxide rC#O 1.128 ±0.000 1.126 -0.002 1 2
SiH3Cl chlorosilane rSiH 1.475   1.473 -0.002 1 3
HS- mercapto anion rSH 1.343   1.341 -0.002 1 2
PN Phosphorus mononitride rP#N 1.491   1.489 -0.002 1 2
HS Mercapto radical rSH 1.341   1.339 -0.002 1 2
C2H5F fluoroethane rCH 1.090 ±0.007 1.088 -0.002 2 7
LiO lithium oxide rLiO 1.688   1.686 -0.002 1 2
CH3CHClCH3 Propane, 2-chloro- rCH 1.092   1.090 -0.002 3 6
CH3CHFCH3 2-Fluoropropane rCH 1.092   1.090 -0.002 1 3
HCl Hydrogen chloride rHCl 1.275 ±0.000 1.273 -0.002 1 2
HOBr Hypobromous acid rOH 0.961   0.959 -0.002 1 2
H2O Water rOH 0.958 ±0.000 0.956 -0.002 1 2
C2 Carbon diatomic rC=C 1.243   1.241 -0.002 1 2
CH3CSNH2 Ethanethioamide rC=S 1.647 ±0.002 1.645 -0.002 1 2
GeF+ Germanium monofluoride cation rFGe 1.665 ±0.000 1.664 -0.002 1 2
CH3Br methyl bromide rCH 1.082 ±0.001 1.081 -0.001 1 3
CH2CHF Ethene, fluoro- rCH 1.077   1.076 -0.001 2 5
DS Mercapto-d rSD 1.341   1.339 -0.001 1 2
F2SO Thionyl Fluoride rFS 1.585 ±0.000 1.584 -0.001 1 3
GeCl Germanium monochloride rClGe 2.164 ±0.000 2.162 -0.001 1 2
PH phosphorus monohydride rPH 1.422   1.421 -0.001 1 2
NS Mononitrogen monosulfide rNS 1.497 ±0.000 1.496 -0.001 1 2
CHF3 Methane, trifluoro- rCF 1.328 ±0.003 1.327 -0.001 1 3
CH3CHO Acetaldehyde rCH 1.086   1.085 -0.001 2 5
C3H6 Cyclopropane rCC 1.501   1.500 -0.001 1 2
GaF Gallium monofluoride rFGa 1.774 ±0.000 1.774 -0.001 1 2
CH3CH2Cl Ethyl chloride rCH 1.090   1.090 -0.001 1 3
P2 Phosphorus diatomic rP#P 1.893   1.893 -0.001 1 2
CH4 Methane rCH 1.087 ±0.001 1.086 -0.001 1 2
CH2F2 Methane, difluoro- rCF 1.351 ±0.001 1.350 -0.001 1 4
CH3NHCH3 Dimethylamine rCH 1.098   1.098 0.000 3 5
HF Hydrogen fluoride rHF 0.917 ±0.000 0.916 0.000 1 2
SF4 Sulfur tetrafluoride rSF 1.646 ±0.003 1.646 0.000 1 2
SiH4 Silane rSiH 1.480 ±0.000 1.480 0.000 1 2
PF5 Phosphorus pentafluoride rFP 1.577   1.577 0.000 1 5
BF3 Borane, trifluoro- rBF 1.307   1.307 0.000 1 2
C2H3 vinyl rCH 1.085   1.085 0.000 2 4
CHONH2 formamide rNH 1.001   1.001 0.000 3 5
CH3NH2 methyl amine rCH 1.093 ±0.000 1.093 0.000 1 3
C3H6O 2-Propen-1-ol rCH 1.078 ±0.010 1.078 0.000 3 8
CH3OC2H5 Ethane, methoxy- rCH 1.086 ±0.010 1.086 0.000 1 5
CH3CH2OH Ethanol rCH 1.088   1.088 0.000 1 5
CH3CHFCH3 2-Fluoropropane rCH 1.088 ±0.006 1.089 0.001 4 6
CH3OCH3 Dimethyl ether rCH 1.085 ±0.001 1.086 0.001 2 4
CH2F2 Methane, difluoro- rCH 1.084 ±0.003 1.085 0.001 1 2
SiH+ silicon monohydride cation rSiH 1.504   1.505 0.001 1 2
SiH3+ Silyl cation rSiH 1.460 ±0.010 1.461 0.001 1 2
H2 Hydrogen diatomic rHH 0.741   0.743 0.001 1 2
SiH Silylidyne rSiH 1.520   1.522 0.001 1 2
CH3OC2H5 Ethane, methoxy- rCH 1.089 ±0.008 1.091 0.002 4 10
SO+ sulfur monoxide cation rO=S 1.424   1.426 0.002 1 2
OPCl Phosphorus oxychloride rP=O 1.462 ±0.011 1.464 0.002 1 2
He2+ helium diatomic cation rHeHe 1.081 ±0.001 1.083 0.002 1 2
NaF sodium fluoride rNaF 1.926 ±0.000 1.928 0.002 1 2
CH3COCl Acetyl Chloride rCCl 1.798   1.800 0.002 1 4
SF Monosulfur monofluoride rSF 1.599   1.602 0.002 1 2
SF4 Sulfur tetrafluoride rSF 1.545 ±0.003 1.548 0.003 1 4
SiH2F2 difluorosilane rSiH 1.462   1.464 0.003 1 4
LiCl lithium chloride rLiCl 2.021 ±0.000 2.024 0.003 1 2
Br2 Bromine diatomic rBrBr 2.281   2.284 0.003 1 2
SiO Silicon monoxide rSiO 1.510 ±0.000 1.513 0.003 1 2
CH3NHCH3 Dimethylamine rCH 1.084   1.088 0.004 3 9
CH3OC2H5 Ethane, methoxy- rCO 1.407 ±0.004 1.411 0.004 2 3
SSO Disulfur monoxide rS=O 1.456   1.460 0.004 1 2
CCl2O Phosgene rCCl 1.737   1.740 0.004 2 3
SiS silicon monosulfide rSiS 1.929 ±0.000 1.933 0.004 1 2
C3H7N Cyclopropylamine rCH 1.080   1.084 0.004 1 2
PF2 Phosphorus difluoride rPF 1.579   1.584 0.005 1 2
PF5 Phosphorus pentafluoride rPF 1.534   1.539 0.005 1 2
NH2CONH2 Urea rNH 0.998   1.002 0.005 4 8
SO Sulfur monoxide rS=O 1.481   1.486 0.005 1 2
SSO Disulfur monoxide rS=S 1.884   1.889 0.005 2 3
C3O2 Carbon suboxide rC=O 1.146   1.152 0.006 2 4
CH3CH2OH Ethanol rCH 1.086   1.093 0.007 2 8
CH2FCl fluorochloromethane rCCl 1.762 ±0.000 1.769 0.007 1 3
ClCN chlorocyanogen rCCl 1.629   1.636 0.007 1 2
BrCl Bromine monochloride rClBr 2.136 ±0.000 2.144 0.008 1 2
C2H Ethynyl radical rCH 1.047   1.054 0.008 1 3
SiBr+ Silicon monobromide cation rSiBr 2.095 ±0.000 2.103 0.008 1 2
S2 Sulfur diatomic rS=S 1.889   1.897 0.008 1 2
SiH3F monofluorosilane rSiF 1.595   1.603 0.008 1 2
LiF lithium fluoride rLiF 1.564 ±0.000 1.572 0.008 1 2
OPCl Phosphorus oxychloride rPCl 2.059 ±0.004 2.067 0.009 1 3
SiF silicon monofluoride rSiF 1.604   1.613 0.009 1 2
AlC Aluminum carbide rC=Al 1.955   1.964 0.009 1 2
LiH Lithium Hydride rLiH 1.595 ±0.000 1.604 0.009 1 2
Cl2+ chlorine diatomic cation rClCl 1.892   1.901 0.010 1 2
SCl2 Sulfur dichloride rSCl 2.013 ±0.001 2.023 0.010 1 2
F2SO Thionyl Fluoride rO=S 1.413 ±0.000 1.424 0.011 1 2
PS phosphorus sulfide rP=S 1.900   1.911 0.011 1 2
C3H5 Allyl radical rCH 1.069   1.080 0.011 1 2
SiF2 Silicon difluoride rFSi 1.590 ±0.000 1.601 0.011 1 2
SiH3Cl chlorosilane rSiCl 2.051   2.062 0.012 1 2
N(CH3)3 Trimethylamine rCH 1.088   1.101 0.013 2 5
SiCl Clorosilylidyne rSiCl 2.061 ±0.000 2.074 0.013 1 2
AlBr Aluminum monobromide rAlBr 2.295   2.308 0.013 1 2
AlF Aluminum monofluoride rAlF 1.654 ±0.000 1.668 0.014 1 2
NCl nitrogen monochloride rNCl 1.611 ±0.000 1.625 0.015 1 2
SiH2Cl2 dichlorosilane rSiCl 2.033 ±0.003 2.048 0.015 1 4
Cl2 Chlorine diatomic rClCl 1.988   2.003 0.015 1 2
AlCl Aluminum monochloride rAlCl 2.130 ±0.000 2.146 0.016 1 2
SCl sulfur monochloride rSCl 1.975   1.993 0.018 1 2
C3O2 Carbon suboxide rC=C 1.251   1.269 0.018 1 2
HSiCl Chlorosilylene rSiCl 2.067 ±0.003 2.085 0.018 1 2
SiHCl3 Trichlorosilane rSiCl 2.020   2.039 0.019 1 3
NaCl Sodium Chloride rNaCl 2.361 ±0.000 2.383 0.022 1 2
CFCl chlorofluoromethylene rCCl 1.714   1.736 0.022 1 3
AsF3 Arsenic trifluoride rAsF 1.706 ±0.002 1.730 0.024 1 2
CuH Copper monohydride rCuH 1.463   1.488 0.026 1 2
C3H4O Cyclopropanone rCC 1.575   1.604 0.029 3 4
322 molecules.