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Average Bond Length Differences by Model Chemistry

Calculated at CCD/cc-pVTZ

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
SiP Silicon monophosphide rSiP 2.078 ±0.002 2.004 -0.073 1 2
SO+ sulfur monoxide cation rO=S 1.424   1.355 -0.069 1 2
FNO2 Nitryl fluoride rNF 1.467 ±0.015 1.409 -0.058 1 2
CN Cyano radical rC#N 1.172   1.130 -0.041 1 2
C5H8O Methyl cyclopropyl ketone rCH 1.126   1.086 -0.040 3 7
C2H Ethynyl radical rC#C 1.217   1.178 -0.039 1 2
C2H2O2 Ethanedial rCH 1.132   1.100 -0.032 1 3
F2 Fluorine diatomic rFF 1.412   1.386 -0.026 1 2
N2O3 Dinitrogen trioxide rN=O 1.217   1.191 -0.026 2 5
C3F6 hexafluoropropene rCF 1.329 ±0.003 1.304 -0.025 1 4
NH2F monofluoroamine rNF 1.433   1.408 -0.025 1 2
AsF5 Arsenic pentafluoride rAsF 1.711 ±0.005 1.687 -0.024 1 5
CO+ carbon monoxide cation rC=O 1.115 ±0.000 1.091 -0.024 1 2
CH3CH2CH2CH3 Butane rCH 1.117   1.093 -0.024 1 5
C5H6 Propellane rCC 1.596 ±0.005 1.572 -0.024 2 5
CH3OCl methyl hypochlorite rCH 1.111 ±0.018 1.088 -0.023 3 4
LiOH lithium hydroxide rOH 0.969   0.946 -0.023 1 3
C9H8 Indene rCC 1.415 ±0.170 1.394 -0.021 1 2
C4H8O2 Ethyl acetate rCH 1.105   1.085 -0.020 1 7
FO Oxygen monofluoride rFO 1.354   1.334 -0.020 1 2
NO Nitric oxide rN=O 1.154 ±0.000 1.134 -0.020 1 2
SeO2 Selenium dioxide rSeO 1.607 ±0.001 1.587 -0.020 1 2
NSe Nitrogen monoselenide rN=Se 1.652   1.634 -0.018 1 2
C5H8 Ethenylcyclopropane rCH 1.099   1.081 -0.018 1 6
ClOF3 Chlorine trifluoride oxide rFCl 1.713 ±0.003 1.696 -0.017 1 4
HO2 Hydroperoxy radical rOO 1.331   1.314 -0.017 1 2
C2H5F fluoroethane rCF 1.398 ±0.007 1.381 -0.017 1 3
HF+ hydrogen fluoride cation rHF 1.014   0.998 -0.016 1 2
H2Cl+ dihydrogen monochloride cation rHCl 1.321 ±0.000 1.304 -0.016 1 2
AsH Arsenic monohydride rAsH 1.535 ±0.001 1.519 -0.016 1 2
HOBr Hypobromous acid rBrO 1.834   1.819 -0.015 2 3
N3 azide radical rNN 1.181   1.166 -0.015 1 2
SeO Selenium monoxide rSeO 1.639 ±0.001 1.624 -0.015 1 2
HClO4 perchloric acid rOCl 1.641 ±0.002 1.626 -0.015 1 3
HeH+ Helium hydride cation rHHe 0.790   0.775 -0.015 1 2
HSe Selenium monohydride rSeH 1.475 ±0.010 1.460 -0.015 1 2
BN boron nitride rB=N 1.325   1.310 -0.015 1 2
CH3CH2CHO Propanal rCH 1.103   1.088 -0.015 1 6
SiC silicon monocarbide rCSi 1.722   1.708 -0.014 1 2
C10H8 Azulene rC:C 1.414   1.400 -0.014 7 9
ArH+ Argon hydride cation rArH 1.292 ±0.000 1.278 -0.014 1 2
B2H6 Diborane rBH 1.200   1.187 -0.013 1 5
CH2NH Methanimine rCH 1.103   1.090 -0.013 1 3
OCSe Carbonyl selenide rC=O 1.159   1.146 -0.013 1 2
HClO4 perchloric acid rOH 0.980   0.967 -0.013 3 6
H2CSe Selenoformaldehyde rC=Se 1.753   1.740 -0.013 1 2
HOCl hypochlorous acid rOH 0.973 ±0.002 0.961 -0.012 1 2
CH2NN diazomethane rN=N 1.139   1.127 -0.012 2 3
HCCl Chloromethylene rCH 1.119 ±0.036 1.107 -0.012 1 3
N2O3 Dinitrogen trioxide rN=O 1.202   1.190 -0.012 2 4
O2 Oxygen diatomic rO=O 1.208   1.195 -0.012 1 2
C5H6 Propellane rCC 1.525 ±0.002 1.513 -0.012 1 2
O2+ diatomic oxygen cation rOO 1.116   1.105 -0.011 1 2
CH3OC2H5 Ethane, methoxy- rCO 1.415 ±0.005 1.404 -0.011 1 2
CH3CH2CHO Propanal rCH 1.105   1.094 -0.011 2 8
C4H6 Bicyclo[1.1.0]butane rCC 1.497   1.486 -0.011 1 2
GeO Germanium monoxide rOGe 1.625   1.614 -0.011 1 2
CH3CH2CHO Propanal rCH 1.115   1.105 -0.010 3 10
SiH2Cl2 dichlorosilane rSiH 1.480 ±0.015 1.470 -0.010 1 2
As2 Arsenic diatomic rAs#As 2.103   2.093 -0.010 1 2
CH3CHO Acetaldehyde rCH 1.114   1.104 -0.010 1 4
CBr4 Carbon tetrabromide rCBr 1.942 ±0.002 1.932 -0.010 1 2
HS+ sulfur monohydride cation rSH 1.374   1.365 -0.009 1 2
As4 Arsenic tetramer rAsAs 2.435   2.426 -0.009 1 2
CH2PH Phosphaethene rCH 1.090 ±0.015 1.081 -0.009 1 3
C3H3NO Oxazole rCO 1.357 ±0.003 1.348 -0.009 1 2
CH2 Methylene rCH 1.085   1.076 -0.009 1 2
AsF3 Arsenic trifluoride rAsF 1.706 ±0.002 1.697 -0.009 1 2
CSe Carbon monoselenide rC=Se 1.676 ±0.000 1.668 -0.009 1 2
C3H6O 2-Propen-1-ol rCH 1.092 ±0.010 1.083 -0.009 2 7
C3H6O 2-Propen-1-ol rCH 1.091 ±0.010 1.082 -0.009 3 9
BrF Bromine monofluoride rFBr 1.759 ±0.000 1.751 -0.008 1 2
NO+ nitric oxide cation rN=O 1.066   1.058 -0.008 1 2
KrH+ Protonated Krypton rHKr 1.421 ±0.000 1.413 -0.008 1 2
NH4+ ammonium cation rHN 1.029 ±0.000 1.021 -0.008 1 2
C2H2O2 Ethanedial rCC 1.526   1.518 -0.008 1 2
CH3NH2 methyl amine rCN 1.471 ±0.003 1.463 -0.008 1 2
BeO beryllium oxide rBe=O 1.331   1.323 -0.008 1 2
CH3NH2 methyl amine rNH 1.018 ±0.001 1.010 -0.008 2 6
H2CSe Selenoformaldehyde rHC 1.090   1.083 -0.008 1 3
CF Fluoromethylidyne rCF 1.276   1.269 -0.007 1 2
ClO Monochlorine monoxide rClO 1.596 ±0.001 1.589 -0.007 1 2
CH2PH Phosphaethene rCH 1.090 ±0.015 1.083 -0.007 1 4
CH3CH2CHO Propanal rCH 1.096   1.089 -0.007 1 5
CH3NC methyl isocyanide rCH 1.094   1.087 -0.007 1 4
HClO4 perchloric acid rO=Cl 1.414 ±0.001 1.407 -0.007 1 2
CH3CCH propyne rCH 1.096   1.089 -0.007 1 5
CH2CO Ketene rCH 1.083   1.075 -0.007 1 4
B2H6 Diborane rBH 1.320   1.313 -0.007 1 3
ClOF3 Chlorine trifluoride oxide rFCl 1.603 ±0.004 1.596 -0.007 1 3
C3H6O 2-Propen-1-ol rCH 1.102 ±0.020 1.095 -0.007 1 6
C3H3NO Oxazole rCO 1.370 ±0.002 1.363 -0.007 1 5
HBr+ hydrogen bromide cation rHBr 1.448   1.442 -0.007 1 2
FNO2 Nitryl fluoride rN=O 1.180 ±0.005 1.173 -0.007 1 3
NS+ nitrogen sulfide cation rNS 1.440   1.434 -0.006 1 2
AsF Arsenic monofluoride rFAs 1.736 ±0.001 1.730 -0.006 1 2
CH3NO nitrosomethane rCH 1.094   1.088 -0.006 1 4
SOCl2 thionyl chloride rS=O 1.443 ±0.006 1.437 -0.006 1 2
CF3COOH trifluoroacetic acid rCC 1.546 ±0.005 1.540 -0.006 1 2
CSe2 Carbon diselenide rC=Se 1.692 ±0.000 1.686 -0.006 1 2
CH2CHCH2CH3 1-Butene rCC 1.536   1.530 -0.006 1 2
CH3CHS Thioacetaldehyde rCH 1.098   1.092 -0.006 2 6
CHF3 Methane, trifluoro- rCH 1.091 ±0.014 1.085 -0.006 1 2
C2H2+ acetylene cation rC=C 1.253 ±0.001 1.247 -0.006 1 2
C10H8 Azulene rC:C 1.398   1.393 -0.005 1 3
HOCl hypochlorous acid rClO 1.697 ±0.001 1.692 -0.005 1 3
C2H5F fluoroethane rCH 1.095 ±0.007 1.090 -0.005 1 4
CH2CO Ketene rC=O 1.162   1.157 -0.005 2 3
GeF Germanium monofluoride rFGe 1.745   1.740 -0.005 1 2
CBrClF2 Methane, bromochlorodifluoro- rCBr 1.932 ±0.004 1.927 -0.005 1 2
CH3CH2CH2CH3 Butane rCC 1.531   1.526 -0.005 1 2
SF4 Sulfur tetrafluoride rSF 1.646 ±0.003 1.641 -0.005 1 2
C4H8O2 Ethyl acetate rCC 1.508   1.503 -0.005 1 2
H2Se Hydrogen selenide rSeH 1.460   1.455 -0.005 1 2
GeH germylidene rGeH 1.588   1.583 -0.005 1 2
CH3CHFCH3 2-Fluoropropane rCH 1.093 ±0.006 1.088 -0.005 4 8
HSiCl Chlorosilylene rSiH 1.525 ±0.005 1.521 -0.004 1 3
HO2 Hydroperoxy radical rOH 0.971   0.966 -0.004 1 3
BO boron monoxide rB=O 1.205   1.200 -0.004 1 2
CH3CHFCH3 2-Fluoropropane rCH 1.094 ±0.005 1.090 -0.004 4 10
C3H8 Propane rCH 1.096   1.092 -0.004 1 4
C3F6 hexafluoropropene rC=C 1.329 ±0.003 1.325 -0.004 1 2
C10H8 Azulene rC:C 1.405 ±0.001 1.400 -0.004 2 9
NH2SH Thiohydroxylamine rSH 1.344 ±0.029 1.340 -0.004 2 3
HNCO Isocyanic acid rC=O 1.164   1.160 -0.004 3 4
HBr hydrogen bromide rHBr 1.414 ±0.000 1.410 -0.004 1 2
AsH3 Arsine rAsH 1.511 ±0.000 1.507 -0.004 1 2
C2H2ClF 1-chloro-1-fluoroethylene rCH 1.082 ±0.001 1.078 -0.004 2 5
CH3CHClCH3 Propane, 2-chloro- rCH 1.091   1.087 -0.004 2 5
CH3NC methyl isocyanide rCN 1.426 ±0.003 1.422 -0.004 1 2
SCSe Carbon sulfide selenide rC=Se 1.695 ±0.002 1.691 -0.004 1 3
C4H8 cyclobutane rCH 1.093   1.090 -0.004 1 5
GeH3F monofluorogermane rGeF 1.731 ±0.000 1.727 -0.004 1 2
CH3CHS Thioacetaldehyde rCH 1.090   1.086 -0.004 2 5
C3H6 Cyclopropane rCH 1.083   1.079 -0.004 1 4
CH3OC2H5 Ethane, methoxy- rCH 1.099 ±0.007 1.095 -0.004 1 6
F2SO Thionyl Fluoride rFS 1.585 ±0.000 1.582 -0.004 1 3
Se2 Selenium diatomic rSe=Se 2.166 ±0.001 2.162 -0.004 1 2
CH2Cl2 Methylene chloride rCH 1.085 ±0.002 1.081 -0.004 1 2
C4H8O2 Ethyl acetate rCO 1.345   1.342 -0.003 2 3
C4H8O2 Ethyl acetate rCC 1.515   1.512 -0.003 5 6
CH3CH2CHO Propanal rCC 1.509   1.506 -0.003 2 3
DF Hydrofluoric acid-d rDF 0.917 ±0.000 0.914 -0.003 1 2
CH3OC2H5 Ethane, methoxy- rCH 1.092 ±0.007 1.089 -0.003 4 11
CN- cyanide anion rC#N 1.177 ±0.004 1.174 -0.003 1 2
GaF Gallium monofluoride rFGa 1.774 ±0.000 1.771 -0.003 1 2
C4H8 cyclobutane rCH 1.091   1.088 -0.003 1 6
SCSe Carbon sulfide selenide rC=S 1.553 ±0.002 1.550 -0.003 1 2
N2 Nitrogen diatomic rN#N 1.098   1.095 -0.003 1 2
GeS Germanium monosulfide rS=Ge 2.012 ±0.000 2.009 -0.003 1 2
CH2Br2 dibromomethane rCBr 1.925 ±0.002 1.922 -0.003 1 4
H2CS Thioformaldehyde rC=S 1.611   1.608 -0.003 1 2
CH3OC2H5 Ethane, methoxy- rCH 1.100 ±0.003 1.097 -0.003 3 8
C4H8O2 Ethyl acetate rC=O 1.203   1.200 -0.003 2 4
CH3NO nitrosomethane rCH 1.092   1.089 -0.003 1 5
HNCNH diiminomethane rC=N 1.224 ±0.001 1.221 -0.003 1 2
CH2F2 Methane, difluoro- rCF 1.351 ±0.001 1.348 -0.003 1 4
He2+ helium diatomic cation rHeHe 1.081 ±0.001 1.078 -0.003 1 2
HF Hydrogen fluoride rHF 0.917 ±0.000 0.914 -0.002 1 2
SeCl2 Selenium Dichloride rClSe 2.157 ±0.003 2.155 -0.002 1 2
C3H4 cyclopropene rCH 1.088   1.086 -0.002 1 6
CH3CH2CHO Propanal rCC 1.523   1.521 -0.002 1 2
CH2NN diazomethane rCH 1.075   1.073 -0.002 1 4
CO Carbon monoxide rC#O 1.128 ±0.000 1.126 -0.002 1 2
SOF4 Sulfur tetrafluoride oxide rFS 1.596 ±0.003 1.594 -0.002 1 3
CH2CHF Ethene, fluoro- rCH 1.082   1.080 -0.002 1 4
C3H6O 2-Propen-1-ol rCH 1.096 ±0.030 1.094 -0.002 1 5
CH3Br methyl bromide rCBr 1.934 ±0.000 1.932 -0.002 1 2
CS carbon monosulfide rC#S 1.535   1.533 -0.002 1 2
CH3CSNH2 Ethanethioamide rC=S 1.647 ±0.002 1.645 -0.002 1 2
C10H8 Azulene rCH 1.084   1.082 -0.002 4 14
DO Hydroxyl-d rDO 0.970   0.968 -0.002 1 2
CF3COOH trifluoroacetic acid rC=O 1.192 ±0.003 1.190 -0.002 2 4
OH Hydroxyl radical rOH 0.970   0.968 -0.002 1 2
C10H8 Azulene rCH 1.080   1.078 -0.002 9 17
GeF+ Germanium monofluoride cation rFGe 1.665 ±0.000 1.664 -0.002 1 2
H2O Water rOH 0.958 ±0.000 0.956 -0.002 1 2
N2O3 Dinitrogen trioxide rN=O 1.142   1.140 -0.002 1 3
COBr2 Carbonic dibromide rC=O 1.172 ±0.003 1.170 -0.002 1 2
C2H5F fluoroethane rCH 1.090 ±0.007 1.089 -0.001 2 7
C3H3NO Oxazole rCH 1.075 ±0.001 1.074 -0.001 4 7
C2H2 Acetylene rC#C 1.203   1.201 -0.001 1 2
CHF3 Methane, trifluoro- rCF 1.328 ±0.003 1.327 -0.001 1 3
CH2NN diazomethane rC=N 1.300   1.299 -0.001 1 2
C2H2 Acetylene rCH 1.063   1.062 -0.001 1 3
NO- nitric oxide anion rN=O 1.258 ±0.010 1.257 -0.001 1 2
C3H3NO Oxazole rCH 1.073 ±0.001 1.072 -0.001 5 8
C3H3NO Oxazole rCH 1.075 ±0.001 1.074 -0.001 2 6
NH Imidogen rNH 1.036   1.035 -0.001 1 2
C2H5F fluoroethane rCH 1.091 ±0.007 1.090 -0.001 2 6
PN Phosphorus mononitride rP#N 1.491   1.490 -0.001 1 2
OH- hydroxide anion rOH 0.964   0.963 -0.001 1 2
C5H8O Methyl cyclopropyl ketone rCC 1.510   1.509 -0.001 2 3
LiNH2 lithium amide rLiN 1.736 ±0.003 1.735 -0.001 1 2
CH3CHClCH3 Propane, 2-chloro- rCH 1.092   1.091 -0.001 3 6
CH3CHS Thioacetaldehyde rCH 1.089   1.088 -0.001 1 4
BF Boron monofluoride rBF 1.267 ±0.000 1.266 0.000 1 2
HOBr Hypobromous acid rOH 0.961   0.961 0.000 1 2
CH3CHFCH3 2-Fluoropropane rCH 1.092   1.092 0.000 1 3
BH3 boron trihydride rBH 1.190   1.190 0.000 1 2
CH Methylidyne rCH 1.120   1.120 0.000 1 2
OPCl Phosphorus oxychloride rP=O 1.462 ±0.011 1.462 0.000 1 2
C2H6O2S Dimethyl sulfone rCS 1.777 ±0.006 1.777 0.000 1 4
HCl+ hydrogen chloride cation rHCl 1.315   1.315 0.000 1 2
HCCCN Cyanoacetylene rCH 1.062 ±0.001 1.062 0.000 4 5
HCl Hydrogen chloride rHCl 1.275 ±0.000 1.275 0.000 1 2
SF Monosulfur monofluoride rSF 1.599   1.600 0.000 1 2
CH3NC methyl isocyanide rC#N 1.166 ±0.003 1.166 0.000 2 3
SiH3F monofluorosilane rSiH 1.476   1.476 0.000 1 3
CH3CHO Acetaldehyde rCH 1.086   1.086 0.000 2 5
DCl Hydrochloric acid-d rDCl 1.275 ±0.000 1.275 0.000 1 2
CH4 Methane rCH 1.087 ±0.001 1.087 0.000 1 2
D2 Deuterium diatomic rDD 0.742   0.742 0.001 1 2
H2 Hydrogen diatomic rHH 0.741   0.742 0.001 1 2
HD Deuterium hydride rDH 0.741   0.742 0.001 1 2
CH3OC2H5 Ethane, methoxy- rCH 1.089 ±0.008 1.090 0.001 4 10
C3H4 cyclopropene rCH 1.072   1.073 0.001 2 4
SSO Disulfur monoxide rS=O 1.456   1.457 0.001 1 2
C2 Carbon diatomic rC=C 1.243   1.243 0.001 1 2
CH3CCH propyne rCH 1.060   1.061 0.001 3 4
ClF Chlorine monofluoride rFCl 1.628 ±0.000 1.629 0.001 1 2
C2H2+ acetylene cation rCH 1.077 ±0.005 1.078 0.001 1 3
CH3Br methyl bromide rCH 1.082 ±0.001 1.083 0.001 1 3
CH3OC2H5 Ethane, methoxy- rCH 1.086 ±0.010 1.087 0.001 1 5
SiH3Cl chlorosilane rSiH 1.475   1.476 0.001 1 3
BH Boron monohydride rBH 1.232   1.234 0.001 1 2
PO Phosphorus monoxide rP=O 1.476   1.477 0.001 1 2
BF3 Borane, trifluoro- rBF 1.307   1.308 0.001 1 2
SiH4 Silane rSiH 1.480 ±0.000 1.481 0.001 1 2
SiO Silicon monoxide rSiO 1.510 ±0.000 1.511 0.001 1 2
CH3OC2H5 Ethane, methoxy- rCO 1.407 ±0.004 1.408 0.001 2 3
CH2CHF Ethene, fluoro- rCH 1.077   1.079 0.002 2 5
CH3CHFCH3 2-Fluoropropane rCH 1.088 ±0.006 1.090 0.002 4 6
C10H8 Azulene rCH 1.081   1.083 0.002 1 11
C10H8 Azulene rCH 1.083   1.085 0.002 5 15
C5H8 Ethenylcyclopropane rCC 1.475   1.477 0.002 1 2
CH3NH2 methyl amine rCH 1.093 ±0.000 1.095 0.002 1 3
SOF4 Sulfur tetrafluoride oxide rFS 1.539 ±0.003 1.541 0.002 1 5
HCCl Chloromethylene rCCl 1.696 ±0.003 1.698 0.002 1 2
HS Mercapto radical rSH 1.341   1.343 0.002 1 2
C2H3 vinyl rCH 1.085   1.087 0.002 2 4
P2 Phosphorus diatomic rP#P 1.893   1.896 0.002 1 2
C3H6O 2-Propen-1-ol rCH 1.078 ±0.010 1.081 0.003 3 8
DS Mercapto-d rSD 1.341   1.343 0.003 1 2
SF4 Sulfur tetrafluoride rSF 1.545 ±0.003 1.548 0.003 1 4
SO Sulfur monoxide rS=O 1.481   1.484 0.003 1 2
HS- mercapto anion rSH 1.343   1.346 0.003 1 2
S2+ sulfur diatomic cation rS=S 1.825 ±0.010 1.828 0.003 1 2
PH phosphorus monohydride rPH 1.422   1.426 0.003 1 2
C3H6 Cyclopropane rCC 1.501   1.504 0.003 1 2
CH2F2 Methane, difluoro- rCH 1.084 ±0.003 1.088 0.004 1 2
OCSe Carbonyl selenide rC=Se 1.709   1.713 0.004 1 3
CH2Cl2 Methylene chloride rCCl 1.767 ±0.002 1.771 0.004 1 4
CH3CH2O Ethoxy radical rCH 1.085   1.089 0.004 1 5
CH3OCl methyl hypochlorite rCH 1.086 ±0.018 1.090 0.004 3 5
LiOH lithium hydroxide rLiO 1.582   1.586 0.004 1 2
SiH+ silicon monohydride cation rSiH 1.504   1.508 0.004 1 2
PF2 Phosphorus difluoride rPF 1.579   1.583 0.004 1 2
NH3BF3 Amminetrifluoroboron rBN 1.673   1.677 0.004 1 2
CH3CH2O Ethoxy radical rCH 1.086   1.090 0.004 1 4
GaBr Gallium monobromide rGaBr 2.352 ±0.000 2.357 0.005 1 2
PO- phosphorus monoxide anion rOP 1.540   1.545 0.005 1 2
Si2 Silicon diatomic rSiSi 2.246   2.251 0.005 1 2
BeH beryllium monohydride rBeH 1.343   1.348 0.005 1 2
SiH Silylidyne rSiH 1.520   1.525 0.005 1 2
C2H5F fluoroethane rCC 1.505 ±0.007 1.510 0.005 1 2
GeH3F monofluorogermane rGeH 1.515 ±0.000 1.520 0.005 1 3
SiH3+ Silyl cation rSiH 1.460 ±0.010 1.465 0.005 1 2
GaAs Gallium arsenide rGa#As 2.530 ±0.020 2.536 0.006 1 2
SiS silicon monosulfide rSiS 1.929 ±0.000 1.935 0.006 1 2
AsF5 Arsenic pentafluoride rAsF 1.656 ±0.004 1.662 0.006 1 2
SiH2F2 difluorosilane rSiH 1.462   1.468 0.006 1 4
NH2CONH2 Urea rNH 0.998   1.004 0.006 4 8
AlH aluminum monohydride rAlH 1.648   1.654 0.006 1 2
BeH2 beryllium dihydride rBeH 1.326 ±0.000 1.333 0.007 1 2
NS Mononitrogen monosulfide rNS 1.497 ±0.000 1.504 0.007 1 2
PF+ phosphorus monofluoride cation rFP 1.500   1.507 0.007 1 2
SSO Disulfur monoxide rS=S 1.884   1.891 0.007 2 3
C3O2 Carbon suboxide rC=O 1.146   1.153 0.007 2 4
GeCl Germanium monochloride rClGe 2.164 ±0.000 2.171 0.008 1 2
CH2CHCH2CH3 1-Butene rCC 1.493   1.501 0.008 2 3
SiH3F monofluorosilane rSiF 1.595   1.603 0.008 1 2
LiO lithium oxide rLiO 1.688   1.697 0.008 1 2
SiF silicon monofluoride rSiF 1.604   1.613 0.008 1 2
F2SO Thionyl Fluoride rO=S 1.413 ±0.000 1.421 0.009 1 2
C10H8 Azulene rC:C 1.377   1.386 0.009 5 7
MgH magnesium monohydride rMgH 1.730   1.739 0.009 1 2
BrO Bromine monoxide rOBr 1.718   1.727 0.009 1 2
CH3CH2O Ethoxy radical rCH 1.088   1.097 0.009 2 7
AlNC Aluminum isocyanide rAlN 1.855 ±0.005 1.864 0.010 1 2
C10H8 Azulene rC:C 1.484   1.494 0.010 7 8
Br2 Bromine diatomic rBrBr 2.281   2.291 0.010 1 2
Cl2+ chlorine diatomic cation rClCl 1.892   1.902 0.011 1 2
S2 Sulfur diatomic rS=S 1.889   1.900 0.011 1 2
HClO4 perchloric acid rO=Cl 1.404 ±0.001 1.415 0.011 1 4
C2H6O2S Dimethyl sulfone rS=O 1.431 ±0.004 1.443 0.012 1 2
BrCl Bromine monochloride rClBr 2.136 ±0.000 2.148 0.012 1 2
ScH Scandium monohydride rScH 1.775 ±0.000 1.787 0.012 1 2
SiF2 Silicon difluoride rFSi 1.590 ±0.000 1.602 0.012 1 2
LiH Lithium Hydride rLiH 1.595 ±0.000 1.607 0.012 1 2
SiBr+ Silicon monobromide cation rSiBr 2.095 ±0.000 2.108 0.012 1 2
B2 Boron diatomic rBB 1.590   1.604 0.014 1 2
C3H5 Allyl radical rCH 1.069   1.083 0.014 1 2
OPCl Phosphorus oxychloride rPCl 2.059 ±0.004 2.073 0.014 1 3
C2H Ethynyl radical rCH 1.047   1.061 0.014 1 3
SiH3Cl chlorosilane rSiCl 2.051   2.065 0.015 1 2
LiF lithium fluoride rLiF 1.564 ±0.000 1.580 0.016 1 2
MgH+ magnesium monohydride cation rMgH 1.652   1.668 0.016 1 2
AlF Aluminum monofluoride rAlF 1.654 ±0.000 1.671 0.017 1 2
HSSSH trisulfane rSS 2.054 ±0.000 2.071 0.017 1 2
SiH2Cl2 dichlorosilane rSiCl 2.033 ±0.003 2.051 0.018 1 4
SiCl Clorosilylidyne rSiCl 2.061 ±0.000 2.080 0.018 1 2
LiCl lithium chloride rLiCl 2.021 ±0.000 2.040 0.019 1 2
SCl2 Sulfur dichloride rSCl 2.013 ±0.001 2.032 0.019 1 2
Cl2 Chlorine diatomic rClCl 1.988   2.007 0.019 1 2
MgO magnesium oxide rMgO 1.749   1.770 0.021 1 2
HSiCl Chlorosilylene rSiCl 2.067 ±0.003 2.088 0.021 1 2
LiBr Lithium Bromide rLiBr 2.170 ±0.000 2.192 0.022 1 2
C5H8O Cyclopentanone rCC 1.504   1.526 0.022 2 3
AlCl Aluminum monochloride rAlCl 2.130 ±0.000 2.152 0.022 1 2
C3O2 Carbon suboxide rC=C 1.251   1.273 0.022 1 2
SCl sulfur monochloride rSCl 1.975   1.998 0.023 1 2
AlBr Aluminum monobromide rAlBr 2.295   2.319 0.024 1 2
NCl nitrogen monochloride rNCl 1.611 ±0.000 1.635 0.025 1 2
PS phosphorus sulfide rP=S 1.900   1.926 0.026 1 2
AlC Aluminum carbide rC=Al 1.955   1.983 0.028 1 2
Li2 Lithium diatomic rLiLi 2.673   2.703 0.030 1 2
CFCl chlorofluoromethylene rCCl 1.714   1.746 0.032 1 3
TiCl Titanium Monochloride rClTi 2.265 ±0.000 2.298 0.033 1 2
NaH sodium hydride rNaH 1.887 ±0.000 1.920 0.034 1 2
AlN Aluminum nitride rN#Al 1.786   1.823 0.036 1 2
NaCl Sodium Chloride rNaCl 2.361 ±0.000 2.403 0.042 1 2
NaBr Sodium Bromide rNaBr 2.502 ±0.000 2.546 0.044 1 2
NaF sodium fluoride rNaF 1.926 ±0.000 1.974 0.048 1 2
CaH Calcium monohydride rCaH 2.003 ±0.000 2.051 0.049 1 2
CaC Calcium monocarbide rC#Ca 2.302   2.351 0.049 1 2
CaO Calcium monoxide rOCa 1.822   1.882 0.060 1 2
NaLi lithium sodium rLiNa 2.889   2.952 0.063 1 2
C4H8O2 Ethyl acetate rCO 1.448   1.512 0.064 5 6
CaBr Calcium monobromide rCaBr 2.594 ±0.000 2.668 0.074 1 2
Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- rAlCl 2.040 ±0.040 2.279 0.239 1 3
C4H10O Methyl propyl ether rCH 1.099   1.404 0.305 1 2
343 molecules.