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Average Bond Length Differences by Model Chemistry

Calculated at CCSD=FULL/6-31G(2df,p)

Species Name Bond type Bond Length (Å)
Experimental unc. Calculated Difference atom1 atom2
C4H10O Methyl propyl ether rCC 1.530   1.091 -0.439 5 13
NaLi lithium sodium rLiNa 2.889   2.785 -0.104 1 2
GaAs Gallium arsenide rGa#As 2.530 ±0.020 2.430 -0.100 1 2
Na2 Sodium diatomic rNaNa 3.079   2.981 -0.098 1 2
As4 Arsenic tetramer rAsAs 2.435   2.362 -0.073 1 2
FNO2 Nitryl fluoride rNF 1.467 ±0.015 1.399 -0.068 1 2
CH3ONO Methyl nitrite rNO 1.398   1.350 -0.048 2 6
Se2 Selenium diatomic rSe=Se 2.166 ±0.001 2.119 -0.047 1 2
GaBr Gallium monobromide rGaBr 2.352 ±0.000 2.306 -0.046 1 2
NaF sodium fluoride rNaF 1.926 ±0.000 1.880 -0.046 1 2
C4H6 Methylenecyclopropane rCC 1.457   1.413 -0.044 2 5
CBr4 Carbon tetrabromide rCBr 1.942 ±0.002 1.900 -0.042 1 2
CHBr3 bromoform rCBr 1.924 ±0.005 1.883 -0.041 1 3
CH2O2 Dioxirane rOO 1.516 ±0.003 1.476 -0.039 4 5
HOBr Hypobromous acid rBrO 1.834   1.796 -0.038 2 3
C3F6 hexafluoropropene rCF 1.329 ±0.003 1.298 -0.031 1 4
C2H2O2 Ethanedial rCH 1.132   1.102 -0.030 1 3
HNO3 Nitric acid rNO 1.406   1.377 -0.029 1 2
SeCl2 Selenium Dichloride rClSe 2.157 ±0.003 2.128 -0.029 1 2
CH2Br2 dibromomethane rCBr 1.925 ±0.002 1.897 -0.028 1 4
CH3Br methyl bromide rCBr 1.934 ±0.000 1.906 -0.028 1 2
C2H5F fluoroethane rCF 1.398 ±0.007 1.372 -0.026 1 3
C5H6 Propellane rCC 1.596 ±0.005 1.570 -0.026 2 5
F2O Difluorine monoxide rFO 1.405   1.379 -0.026 1 2
GeF Germanium monofluoride rFGe 1.745   1.719 -0.026 1 2
BrF Bromine monofluoride rFBr 1.759 ±0.000 1.734 -0.025 1 2
CH2FCl fluorochloromethane rCF 1.370 ±0.001 1.346 -0.024 1 2
CH3SeH Methane selenol rSeH 1.473 ±0.020 1.449 -0.024 1 3
CH3CH2CH2CH3 Butane rCH 1.117   1.094 -0.023 1 5
ClOF3 Chlorine trifluoride oxide rFCl 1.713 ±0.003 1.690 -0.023 1 4
CH3OC2H5 Ethane, methoxy- rCO 1.415 ±0.005 1.392 -0.023 1 2
LiOH lithium hydroxide rOH 0.969   0.946 -0.023 1 3
C4H6 Bicyclo[1.1.0]butane rCC 1.497   1.476 -0.021 1 2
GeH germylidene rGeH 1.588   1.567 -0.021 1 2
GeCl Germanium monochloride rClGe 2.164 ±0.000 2.143 -0.021 1 2
SeO2 Selenium dioxide rSeO 1.607 ±0.001 1.586 -0.021 1 2
AsH Arsenic monohydride rAsH 1.535 ±0.001 1.514 -0.021 1 2
SCSe Carbon sulfide selenide rC=Se 1.695 ±0.002 1.675 -0.020 1 3
KrH+ Protonated Krypton rHKr 1.421 ±0.000 1.401 -0.020 1 2
HSe Selenium monohydride rSeH 1.475 ±0.010 1.455 -0.020 1 2
OCSe Carbonyl selenide rC=Se 1.709   1.690 -0.019 1 3
N(CH3)3 Trimethylamine rCH 1.109   1.090 -0.019 2 8
H2CSe Selenoformaldehyde rC=Se 1.753   1.734 -0.019 1 2
CH3COCl Acetyl Chloride rCH 1.105   1.087 -0.018 2 5
SeO Selenium monoxide rSeO 1.639 ±0.001 1.622 -0.018 1 2
FO Oxygen monofluoride rFO 1.354   1.337 -0.017 1 2
GeH3F monofluorogermane rGeF 1.731 ±0.000 1.714 -0.017 1 2
H2Cl+ dihydrogen monochloride cation rHCl 1.321 ±0.000 1.303 -0.017 1 2
F2 Fluorine diatomic rFF 1.412   1.395 -0.017 1 2
C10H8 Azulene rC:C 1.414   1.398 -0.017 7 9
HBr+ hydrogen bromide cation rHBr 1.448   1.432 -0.016 1 2
LiBr Lithium Bromide rLiBr 2.170 ±0.000 2.154 -0.016 1 2
HBr hydrogen bromide rHBr 1.414 ±0.000 1.398 -0.016 1 2
C5H6 Propellane rCC 1.525 ±0.002 1.509 -0.016 1 2
AlBr Aluminum monobromide rAlBr 2.295   2.280 -0.015 1 2
CH3CH2CHO Propanal rCH 1.103   1.088 -0.015 1 6
SiH2Cl2 dichlorosilane rSiH 1.480 ±0.015 1.465 -0.015 1 2
C3H6O Propylene oxide rCC 1.513   1.498 -0.015 2 6
BrO Bromine monoxide rOBr 1.718   1.703 -0.015 1 2
HeH+ Helium hydride cation rHHe 0.790   0.775 -0.015 1 2
HF+ hydrogen fluoride cation rHF 1.014   1.000 -0.014 1 2
B2H6 Diborane rBH 1.200   1.186 -0.014 1 5
SF4 Sulfur tetrafluoride rSF 1.646 ±0.003 1.632 -0.014 1 2
AlNC Aluminum isocyanide rAlN 1.855 ±0.005 1.841 -0.014 1 2
CH2O2 Dioxirane rCO 1.388 ±0.004 1.374 -0.014 1 4
NSe Nitrogen monoselenide rN=Se 1.652   1.638 -0.013 1 2
HSiCl Chlorosilylene rSiH 1.525 ±0.005 1.512 -0.013 1 3
ArH+ Argon hydride cation rArH 1.292 ±0.000 1.279 -0.013 1 2
CH3ONO Methyl nitrite rCH 1.102   1.089 -0.013 1 4
CH3OCH3 Dimethyl ether rCO 1.411 ±0.001 1.398 -0.013 1 2
OCSe Carbonyl selenide rC=O 1.159   1.146 -0.012 1 2
CH3OCHO methyl formate rCO 1.437   1.425 -0.012 1 2
H2Se Hydrogen selenide rSeH 1.460   1.448 -0.012 1 2
GeS Germanium monosulfide rS=Ge 2.012 ±0.000 2.000 -0.012 1 2
CH2NH Methanimine rCH 1.103   1.091 -0.012 1 3
PF5 Phosphorus pentafluoride rFP 1.577   1.565 -0.012 1 5
CH3CH2CHO Propanal rCH 1.115   1.103 -0.012 3 10
HS+ sulfur monohydride cation rSH 1.374   1.363 -0.011 1 2
SOF4 Sulfur tetrafluoride oxide rFS 1.596 ±0.003 1.585 -0.011 1 3
CH3COCl Acetyl Chloride rCC 1.506   1.495 -0.011 1 2
HOCl hypochlorous acid rOH 0.973 ±0.002 0.962 -0.011 1 2
SiP Silicon monophosphide rSiP 2.078 ±0.002 2.067 -0.011 1 2
C2H3Cl Ethene, chloro- rCH 1.090   1.080 -0.010 1 4
CH3CH2CHO Propanal rCH 1.105   1.095 -0.010 2 8
C2H Ethynyl radical rC#C 1.217   1.206 -0.010 1 2
C2H2O2 Ethanedial rCC 1.526   1.516 -0.010 1 2
SOCl2 thionyl chloride rS=O 1.443 ±0.006 1.433 -0.010 1 2
ClO Monochlorine monoxide rClO 1.596 ±0.001 1.587 -0.009 1 2
ClOF3 Chlorine trifluoride oxide rFCl 1.603 ±0.004 1.594 -0.009 1 3
CH3NH2 methyl amine rCN 1.471 ±0.003 1.462 -0.009 1 2
BF3 Borane, trifluoro- rBF 1.307   1.298 -0.009 1 2
CH3COCl Acetyl Chloride rC=O 1.187   1.178 -0.009 1 3
CH2CCHCH3 1,2-Butadiene rC=C 1.314   1.305 -0.009 1 2
HO2 Hydroperoxy radical rOO 1.331   1.322 -0.009 1 2
GaF Gallium monofluoride rFGa 1.774 ±0.000 1.766 -0.009 1 2
CF Fluoromethylidyne rCF 1.276   1.267 -0.009 1 2
CH3NC methyl isocyanide rCN 1.426 ±0.003 1.417 -0.009 1 2
SiBr+ Silicon monobromide cation rSiBr 2.095 ±0.000 2.087 -0.009 1 2
C3F6 hexafluoropropene rC=C 1.329 ±0.003 1.320 -0.009 1 2
B2H6 Diborane rBH 1.320   1.312 -0.008 1 3
CH3CH2OH Ethanol rCH 1.098   1.090 -0.008 1 6
SCSe Carbon sulfide selenide rC=S 1.553 ±0.002 1.545 -0.008 1 2
CH2F2 Methane, difluoro- rCF 1.351 ±0.001 1.342 -0.008 1 4
Br2 Bromine diatomic rBrBr 2.281   2.273 -0.008 1 2
CH3ONO Methyl nitrite rCO 1.437   1.429 -0.008 1 2
C2H6O2S Dimethyl sulfone rCS 1.777 ±0.006 1.769 -0.008 1 4
CH3CH2CHO Propanal rCC 1.509   1.501 -0.008 2 3
CH2PH Phosphaethene rCH 1.090 ±0.015 1.082 -0.008 1 3
CH2 Methylene rCH 1.085   1.077 -0.008 1 2
CH3OCHO methyl formate rCO 1.334   1.326 -0.008 2 3
C10H8 Azulene rC:C 1.398   1.390 -0.008 1 3
CH3CH(CH3)CH3 Isobutane rCH 1.100   1.092 -0.008 3 6
CH3CHO Acetaldehyde rCH 1.114   1.107 -0.007 1 4
CSe Carbon monoselenide rC=Se 1.676 ±0.000 1.669 -0.007 1 2
O2 Oxygen diatomic rO=O 1.208   1.201 -0.007 1 2
SiHCl3 Trichlorosilane rSiH 1.464   1.457 -0.007 1 2
CH2CHCH2CH3 1-Butene rCC 1.536   1.529 -0.007 1 2
GeF+ Germanium monofluoride cation rFGe 1.665 ±0.000 1.659 -0.007 1 2
CH2PH Phosphaethene rCH 1.090 ±0.015 1.083 -0.007 1 4
CH3NHCH3 Dimethylamine rCH 1.098   1.091 -0.007 3 7
CH2CO Ketene rCH 1.083   1.076 -0.006 1 4
H2CSe Selenoformaldehyde rHC 1.090   1.084 -0.006 1 3
AsH3 Arsine rAsH 1.511 ±0.000 1.504 -0.006 1 2
CH3NH2 methyl amine rNH 1.018 ±0.001 1.012 -0.006 2 6
OH Hydroxyl radical rOH 0.970   0.963 -0.006 1 2
CH3CCH propyne rCH 1.096   1.090 -0.006 1 5
NH4+ ammonium cation rHN 1.029 ±0.000 1.023 -0.006 1 2
CH3CH2CH2CH3 Butane rCC 1.531   1.525 -0.006 1 2
CH3NC methyl isocyanide rCH 1.094   1.088 -0.006 1 4
CH3CH2CHO Propanal rCH 1.096   1.090 -0.006 1 5
C10H8 Azulene rC:C 1.405 ±0.001 1.398 -0.006 2 9
CHF3 Methane, trifluoro- rCF 1.328 ±0.003 1.322 -0.006 1 3
CH2C(CH3)CH3 1-Propene, 2-methyl- rCH 1.088   1.082 -0.006 2 3
ClCN chlorocyanogen rC#N 1.161   1.155 -0.006 2 3
N3 azide radical rNN 1.181   1.175 -0.006 1 2
CH3NO nitrosomethane rCH 1.094   1.088 -0.006 1 4
BF Boron monofluoride rBF 1.267 ±0.000 1.261 -0.005 1 2
CH3CHS Thioacetaldehyde rCH 1.098   1.093 -0.005 2 6
LiNH2 lithium amide rLiN 1.736 ±0.003 1.731 -0.005 1 2
BO boron monoxide rB=O 1.205   1.199 -0.005 1 2
NH2SH Thiohydroxylamine rSH 1.344 ±0.029 1.339 -0.005 2 3
CH3OCHO methyl formate rCH 1.101   1.096 -0.005 3 8
CCl2O Phosgene rC=O 1.177   1.172 -0.005 1 2
C2H2+ acetylene cation rC=C 1.253 ±0.001 1.248 -0.005 1 2
CH3ONO Methyl nitrite rCH 1.090   1.085 -0.005 1 3
SiH3Cl chlorosilane rSiH 1.475   1.470 -0.005 1 3
BrCl Bromine monochloride rClBr 2.136 ±0.000 2.132 -0.005 1 2
HF Hydrogen fluoride rHF 0.917 ±0.000 0.912 -0.004 1 2
SiH4 Silane rSiH 1.480 ±0.000 1.475 -0.004 1 2
PO Phosphorus monoxide rP=O 1.476   1.472 -0.004 1 2
SOF4 Sulfur tetrafluoride oxide rFS 1.539 ±0.003 1.535 -0.004 1 5
HNCNH diiminomethane rC=N 1.224 ±0.001 1.220 -0.004 1 2
CH3CHFCH3 2-Fluoropropane rCH 1.094 ±0.005 1.090 -0.004 4 10
NO Nitric oxide rN=O 1.154 ±0.000 1.150 -0.004 1 2
CH3CHFCH3 2-Fluoropropane rCH 1.093 ±0.006 1.089 -0.004 4 8
CH3OC2H5 Ethane, methoxy- rCH 1.092 ±0.007 1.088 -0.004 4 11
CH3CSNH2 Ethanethioamide rC=S 1.647 ±0.002 1.643 -0.004 1 2
C3H8 Propane rCH 1.096   1.092 -0.004 1 4
SiH3F monofluorosilane rSiH 1.476   1.473 -0.003 1 3
SSO Disulfur monoxide rS=O 1.456   1.453 -0.003 1 2
CH2CO Ketene rC=O 1.162   1.159 -0.003 2 3
C4H6 Cyclobutene rCH 1.094   1.091 -0.003 3 7
C4H8 cyclobutane rCH 1.093   1.090 -0.003 1 5
HOCl hypochlorous acid rClO 1.697 ±0.001 1.694 -0.003 1 3
CH3CHS Thioacetaldehyde rCH 1.090   1.087 -0.003 2 5
CH2FCl fluorochloromethane rCH 1.090 ±0.010 1.087 -0.003 1 4
PS phosphorus sulfide rP=S 1.900   1.897 -0.003 1 2
SiH Silylidyne rSiH 1.520   1.517 -0.003 1 2
CH3CHClCH3 Propane, 2-chloro- rCH 1.091   1.088 -0.003 2 5
H2 Hydrogen diatomic rHH 0.741   0.738 -0.003 1 2
OPCl Phosphorus oxychloride rP=O 1.462 ±0.011 1.459 -0.003 1 2
H2CS Thioformaldehyde rC=S 1.611   1.608 -0.003 1 2
C2H2ClF 1-chloro-1-fluoroethylene rCH 1.082 ±0.001 1.079 -0.003 2 5
C3H6 Cyclopropane rCH 1.083   1.080 -0.003 1 4
C4H6 Cyclobutene rCH 1.083   1.080 -0.003 1 5
CH2O2 Dioxirane rCH 1.090 ±0.002 1.088 -0.003 1 2
CN Cyano radical rC#N 1.172   1.169 -0.003 1 2
C2H2 Acetylene rCH 1.063   1.061 -0.002 1 3
CH3OC2H5 Ethane, methoxy- rCH 1.100 ±0.003 1.098 -0.002 3 8
C4H8 cyclobutane rCH 1.091   1.089 -0.002 1 6
SiF silicon monofluoride rSiF 1.604   1.602 -0.002 1 2
NO+ nitric oxide cation rN=O 1.066   1.063 -0.002 1 2
SiH+ silicon monohydride cation rSiH 1.504   1.502 -0.002 1 2
PF2 Phosphorus difluoride rPF 1.579   1.577 -0.002 1 2
ClF Chlorine monofluoride rFCl 1.628 ±0.000 1.626 -0.002 1 2
C2H5F fluoroethane rCH 1.095 ±0.007 1.093 -0.002 1 4
CH3NO nitrosomethane rCH 1.092   1.090 -0.002 1 5
CO+ carbon monoxide cation rC=O 1.115 ±0.000 1.113 -0.002 1 2
CH3OC2H5 Ethane, methoxy- rCH 1.099 ±0.007 1.097 -0.002 1 6
CH3OCH3 Dimethyl ether rCH 1.099 ±0.001 1.097 -0.002 2 6
CH2Cl2 Methylene chloride rCH 1.085 ±0.002 1.083 -0.002 1 2
C4H6 Cyclobutene rCC 1.517   1.515 -0.002 1 3
PN Phosphorus mononitride rP#N 1.491   1.489 -0.002 1 2
SF Monosulfur monofluoride rSF 1.599   1.598 -0.002 1 2
CHF3 Methane, trifluoro- rCH 1.091 ±0.014 1.089 -0.002 1 2
H2O Water rOH 0.958 ±0.000 0.956 -0.002 1 2
HO2 Hydroperoxy radical rOH 0.971   0.969 -0.002 1 3
HCl+ hydrogen chloride cation rHCl 1.315   1.313 -0.001 1 2
CS carbon monosulfide rC#S 1.535   1.534 -0.001 1 2
C2H2 Acetylene rC#C 1.203   1.201 -0.001 1 2
GeH3F monofluorogermane rGeH 1.515 ±0.000 1.513 -0.001 1 3
SF4 Sulfur tetrafluoride rSF 1.545 ±0.003 1.544 -0.001 1 4
FNO2 Nitryl fluoride rN=O 1.180 ±0.005 1.179 -0.001 1 3
CH3CH(CH3)CH3 Isobutane rCH 1.092   1.091 -0.001 3 9
SiO Silicon monoxide rSiO 1.510 ±0.000 1.509 -0.001 1 2
AlC Aluminum carbide rC=Al 1.955   1.954 -0.001 1 2
CHONH2 formamide rNH 1.001   1.000 -0.001 3 6
HS- mercapto anion rSH 1.343   1.342 -0.001 1 2
C3H4 cyclopropene rCH 1.088   1.087 -0.001 1 6
HCCCN Cyanoacetylene rCH 1.062 ±0.001 1.062 -0.001 4 5
C10H8 Azulene rCH 1.080   1.079 -0.001 9 17
C2H5F fluoroethane rCH 1.091 ±0.007 1.090 -0.001 2 6
C10H8 Azulene rCH 1.084   1.083 -0.001 4 14
CH2Cl2 Methylene chloride rCCl 1.767 ±0.002 1.766 -0.001 1 4
SO+ sulfur monoxide cation rO=S 1.424   1.423 -0.001 1 2
CH2CHF Ethene, fluoro- rCH 1.082   1.082 0.000 1 4
C2H5F fluoroethane rCH 1.090 ±0.007 1.090 0.000 2 7
CH3CH2CHO Propanal rCC 1.523   1.523 0.000 1 2
SiH3F monofluorosilane rSiF 1.595   1.594 0.000 1 2
CH3CHClCH3 Propane, 2-chloro- rCH 1.092   1.092 0.000 3 6
PH phosphorus monohydride rPH 1.422   1.422 0.000 1 2
CH3OCHO methyl formate rCH 1.086   1.086 0.000 1 5
C3H4 cyclopropene rCH 1.072   1.072 0.000 2 4
CH3ONO Methyl nitrite rN=O 1.182   1.182 0.000 6 7
CN- cyanide anion rC#N 1.177 ±0.004 1.177 0.000 1 2
CH3CCH propyne rCH 1.060   1.060 0.000 3 4
CH3CHS Thioacetaldehyde rCH 1.089   1.089 0.000 1 4
HOBr Hypobromous acid rOH 0.961   0.961 0.000 1 2
PF5 Phosphorus pentafluoride rPF 1.534   1.534 0.000 1 2
CH3CH2Cl Ethyl chloride rCH 1.086   1.087 0.000 2 7
CH3NC methyl isocyanide rC#N 1.166 ±0.003 1.167 0.001 2 3
HCl Hydrogen chloride rHCl 1.275 ±0.000 1.275 0.001 1 2
CH4 Methane rCH 1.087 ±0.001 1.088 0.001 1 2
AlF Aluminum monofluoride rAlF 1.654 ±0.000 1.655 0.001 1 2
HS Mercapto radical rSH 1.341   1.342 0.001 1 2
BH Boron monohydride rBH 1.232   1.234 0.001 1 2
C2H2+ acetylene cation rCH 1.077 ±0.005 1.078 0.001 1 3
CH3CHO Acetaldehyde rCH 1.086   1.087 0.001 2 5
C3H6 Cyclopropane rCC 1.501   1.502 0.001 1 2
SiH3+ Silyl cation rSiH 1.460 ±0.010 1.461 0.001 1 2
C2H3Cl Ethene, chloro- rCH 1.079   1.080 0.001 2 5
TiCl Titanium Monochloride rClTi 2.265 ±0.000 2.266 0.001 1 2
CH3CH2Cl Ethyl chloride rCH 1.090   1.092 0.001 1 3
DS Mercapto-d rSD 1.341   1.342 0.001 1 2
C2H5F fluoroethane rCC 1.505 ±0.007 1.506 0.001 1 2
SiS silicon monosulfide rSiS 1.929 ±0.000 1.931 0.001 1 2
CH Methylidyne rCH 1.120   1.122 0.002 1 2
MgH magnesium monohydride rMgH 1.730   1.731 0.002 1 2
CH3CHFCH3 2-Fluoropropane rCH 1.092   1.094 0.002 1 3
CO Carbon monoxide rC#O 1.128 ±0.000 1.130 0.002 1 2
CH3NHCH3 Dimethylamine rCH 1.098   1.100 0.002 3 5
SiF2 Silicon difluoride rFSi 1.590 ±0.000 1.592 0.002 1 2
CHONH2 formamide rNH 1.001   1.003 0.002 3 5
CH3CH2OH Ethanol rCH 1.088   1.090 0.002 1 5
CH3CHFCH3 2-Fluoropropane rCH 1.088 ±0.006 1.090 0.002 4 6
CH3OC2H5 Ethane, methoxy- rCO 1.407 ±0.004 1.409 0.002 2 3
CH2CHF Ethene, fluoro- rCH 1.077   1.080 0.003 2 5
CH3Br methyl bromide rCH 1.082 ±0.001 1.085 0.003 1 3
SO Sulfur monoxide rS=O 1.481   1.484 0.003 1 2
CH3OC2H5 Ethane, methoxy- rCH 1.086 ±0.010 1.089 0.003 1 5
CH3OC2H5 Ethane, methoxy- rCH 1.089 ±0.008 1.092 0.003 4 10
OH- hydroxide anion rOH 0.964   0.967 0.003 1 2
N2 Nitrogen diatomic rN#N 1.098   1.101 0.003 1 2
GeO Germanium monoxide rOGe 1.625   1.628 0.003 1 2
CH3NH2 methyl amine rCH 1.093 ±0.000 1.096 0.003 1 3
C10H8 Azulene rCH 1.081   1.085 0.003 1 11
C10H8 Azulene rCH 1.083   1.086 0.003 5 15
C2H3 vinyl rCH 1.085   1.089 0.004 2 4
CH3OCH3 Dimethyl ether rCH 1.085 ±0.001 1.089 0.004 2 4
CH3COCl Acetyl Chloride rCCl 1.798   1.802 0.004 1 4
C2 Carbon diatomic rC=C 1.243   1.247 0.004 1 2
SiH2F2 difluorosilane rSiH 1.462   1.466 0.004 1 4
SSO Disulfur monoxide rS=S 1.884   1.889 0.004 2 3
ClCN chlorocyanogen rCCl 1.629   1.634 0.005 1 2
C2H6O2S Dimethyl sulfone rS=O 1.431 ±0.004 1.436 0.005 1 2
CCl2O Phosgene rCCl 1.737   1.742 0.005 2 3
C10H8 Azulene rC:C 1.484   1.489 0.005 7 8
CH3NHCH3 Dimethylamine rCH 1.084   1.090 0.006 3 9
CH2CHCH2CH3 1-Butene rCC 1.493   1.499 0.006 2 3
OPCl Phosphorus oxychloride rPCl 2.059 ±0.004 2.065 0.007 1 3
NH2CONH2 Urea rNH 0.998   1.005 0.007 4 8
LiOH lithium hydroxide rLiO 1.582   1.588 0.007 1 2
C10H8 Azulene rC:C 1.377   1.384 0.007 5 7
NH3BF3 Amminetrifluoroboron rBN 1.673   1.680 0.007 1 2
CH2F2 Methane, difluoro- rCH 1.084 ±0.003 1.091 0.007 1 2
Cl2+ chlorine diatomic cation rClCl 1.892   1.899 0.008 1 2
S2 Sulfur diatomic rS=S 1.889   1.897 0.008 1 2
SiH3Cl chlorosilane rSiCl 2.051   2.058 0.008 1 2
SiCl Clorosilylidyne rSiCl 2.061 ±0.000 2.069 0.008 1 2
C3O2 Carbon suboxide rC=O 1.146   1.154 0.008 2 4
NO- nitric oxide anion rN=O 1.258 ±0.010 1.266 0.008 1 2
C3H7N Cyclopropylamine rCH 1.080   1.089 0.009 1 2
SCl2 Sulfur dichloride rSCl 2.013 ±0.001 2.022 0.009 1 2
He2+ helium diatomic cation rHeHe 1.081 ±0.001 1.090 0.009 1 2
CH2FCl fluorochloromethane rCCl 1.762 ±0.000 1.772 0.010 1 3
CH3CH2OH Ethanol rCH 1.086   1.096 0.010 2 8
LiF lithium fluoride rLiF 1.564 ±0.000 1.575 0.011 1 2
SiH2Cl2 dichlorosilane rSiCl 2.033 ±0.003 2.045 0.012 1 4
HSiCl Chlorosilylene rSiCl 2.067 ±0.003 2.079 0.012 1 2
NS Mononitrogen monosulfide rNS 1.497 ±0.000 1.510 0.013 1 2
Cl2 Chlorine diatomic rClCl 1.988   2.001 0.013 1 2
N(CH3)3 Trimethylamine rCH 1.088   1.102 0.014 2 5
LiCl lithium chloride rLiCl 2.021 ±0.000 2.034 0.014 1 2
C2H Ethynyl radical rCH 1.047   1.061 0.014 1 3
SCl sulfur monochloride rSCl 1.975   1.991 0.016 1 2
C3H5 Allyl radical rCH 1.069   1.085 0.016 1 2
SiHCl3 Trichlorosilane rSiCl 2.020   2.036 0.016 1 3
C3O2 Carbon suboxide rC=C 1.251   1.269 0.018 1 2
LiO lithium oxide rLiO 1.688   1.707 0.019 1 2
NCl nitrogen monochloride rNCl 1.611 ±0.000 1.629 0.019 1 2
AsF3 Arsenic trifluoride rAsF 1.706 ±0.002 1.725 0.019 1 2
NaCl Sodium Chloride rNaCl 2.361 ±0.000 2.384 0.023 1 2
LiH Lithium Hydride rLiH 1.595 ±0.000 1.624 0.029 1 2
C3H4O Cyclopropanone rCC 1.575   1.604 0.029 3 4
CFCl chlorofluoromethylene rCCl 1.714   1.752 0.038 1 3
CaC Calcium monocarbide rC#Ca 2.302   2.357 0.056 1 2
KH Potassium hydride rKH 2.243 ±0.001 2.306 0.063 1 2
CaBr Calcium monobromide rCaBr 2.594 ±0.000 2.674 0.081 1 2
CrH Chromium hydride rHCr 1.655 ±0.001 1.772 0.117 1 2
CaO Calcium monoxide rOCa 1.822   1.978 0.156 1 2
C4H10O Methyl propyl ether rCH 1.099   1.401 0.302 1 2
321 molecules.