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Average Bond Length Differences by Model Chemistry

Calculated at CCSD/TZVP

Species Name Bond type Bond Length (Å)
Experimental unc. Calculated Difference atom1 atom2
C4H10O Methyl propyl ether rCC 1.530   1.093 -0.437 5 13
C5H8O Methyl cyclopropyl ketone rCH 1.126   1.088 -0.038 3 7
C2H2O2 Ethanedial rCH 1.132   1.102 -0.030 1 3
FNO2 Nitryl fluoride rNF 1.467 ±0.015 1.440 -0.027 1 2
CH3CH2CH2CH3 Butane rCH 1.117   1.095 -0.022 1 5
LiOH lithium hydroxide rOH 0.969   0.949 -0.020 1 3
C3F6 hexafluoropropene rCF 1.329 ±0.003 1.309 -0.020 1 4
C9H8 Indene rCC 1.415 ±0.170 1.396 -0.019 1 2
C4H8O2 Ethyl acetate rCH 1.105   1.087 -0.018 1 7
C5H8 Ethenylcyclopropane rCH 1.099   1.084 -0.015 1 6
C5H6 Propellane rCC 1.596 ±0.005 1.582 -0.014 2 5
H2Cl+ dihydrogen monochloride cation rHCl 1.321 ±0.000 1.307 -0.013 1 2
B2H6 Diborane rBH 1.200   1.187 -0.013 1 5
CH3CH2CHO Propanal rCH 1.103   1.091 -0.012 1 6
HSe Selenium monohydride rSeH 1.475 ±0.010 1.463 -0.012 1 2
HF+ hydrogen fluoride cation rHF 1.014   1.003 -0.012 1 2
SiH2Cl2 dichlorosilane rSiH 1.480 ±0.015 1.468 -0.012 1 2
CH2NH Methanimine rCH 1.103   1.091 -0.012 1 3
C10H8 Azulene rC:C 1.414   1.403 -0.011 7 9
AsH Arsenic monohydride rAsH 1.535 ±0.001 1.524 -0.010 1 2
HCCl Chloromethylene rCH 1.119 ±0.036 1.109 -0.010 1 3
C5H6 Propellane rCC 1.525 ±0.002 1.516 -0.009 1 2
CH3CH2CHO Propanal rCH 1.105   1.096 -0.009 2 8
OCSe Carbonyl selenide rC=O 1.159   1.150 -0.009 1 2
CH3CH2CHO Propanal rCH 1.115   1.106 -0.009 3 10
CH3CHO Acetaldehyde rCH 1.114   1.106 -0.008 1 4
HOCl hypochlorous acid rOH 0.973 ±0.002 0.965 -0.008 1 2
CH2 Methylene rCH 1.085   1.078 -0.007 1 2
C2H Ethynyl radical rC#C 1.217   1.209 -0.007 1 2
CH2PH Phosphaethene rCH 1.090 ±0.015 1.083 -0.007 1 3
ArH+ Argon hydride cation rArH 1.292 ±0.000 1.285 -0.007 1 2
C3H6O 2-Propen-1-ol rCH 1.092 ±0.010 1.085 -0.007 2 7
C3H6O 2-Propen-1-ol rCH 1.091 ±0.010 1.084 -0.007 3 9
CH3NH2 methyl amine rCN 1.471 ±0.003 1.465 -0.006 1 2
B2H6 Diborane rBH 1.320   1.314 -0.006 1 3
HeH+ Helium hydride cation rHHe 0.790   0.784 -0.006 1 2
CH2PH Phosphaethene rCH 1.090 ±0.015 1.084 -0.006 1 4
H2CSe Selenoformaldehyde rHC 1.090   1.084 -0.006 1 3
HS+ sulfur monohydride cation rSH 1.374   1.368 -0.006 1 2
KrH+ Protonated Krypton rHKr 1.421 ±0.000 1.415 -0.006 1 2
HNO3 Nitric acid rNO 1.406   1.400 -0.006 1 2
CH3NH2 methyl amine rNH 1.018 ±0.001 1.012 -0.006 2 6
CH2CO Ketene rCH 1.083   1.077 -0.005 1 4
CH3OC2H5 Ethane, methoxy- rCO 1.415 ±0.005 1.410 -0.005 1 2
HSiCl Chlorosilylene rSiH 1.525 ±0.005 1.520 -0.005 1 3
NH4+ ammonium cation rHN 1.029 ±0.000 1.023 -0.005 1 2
CH3CCH propyne rCH 1.096   1.091 -0.005 1 5
HBr+ hydrogen bromide cation rHBr 1.448   1.443 -0.005 1 2
CH3CH2CHO Propanal rCH 1.096   1.091 -0.005 1 5
C4H6 Bicyclo[1.1.0]butane rCC 1.497   1.492 -0.005 1 2
C3H6O 2-Propen-1-ol rCH 1.102 ±0.020 1.097 -0.005 1 6
N3 azide radical rNN 1.181   1.177 -0.004 1 2
CH2CHCH2CH3 1-Butene rCC 1.536   1.532 -0.004 1 2
CH3CHS Thioacetaldehyde rCH 1.098   1.094 -0.004 2 6
CH3NO nitrosomethane rCH 1.094   1.090 -0.004 1 4
C2H2+ acetylene cation rC=C 1.253 ±0.001 1.249 -0.004 1 2
CHF3 Methane, trifluoro- rCH 1.091 ±0.014 1.087 -0.004 1 2
C2H2O2 Ethanedial rCC 1.526   1.523 -0.003 1 2
C3H3NO Oxazole rCO 1.357 ±0.003 1.354 -0.003 1 2
CH3CH2CH2CH3 Butane rCC 1.531   1.528 -0.003 1 2
HBr hydrogen bromide rHBr 1.414 ±0.000 1.411 -0.003 1 2
CSe Carbon monoselenide rC=Se 1.676 ±0.000 1.673 -0.003 1 2
C10H8 Azulene rC:C 1.398   1.395 -0.003 1 3
H2Se Hydrogen selenide rSeH 1.460   1.457 -0.003 1 2
CH2Cl2 Methylene chloride rCH 1.085 ±0.002 1.082 -0.003 1 2
CH3CHFCH3 2-Fluoropropane rCH 1.093 ±0.006 1.091 -0.002 4 8
CN Cyano radical rC#N 1.172   1.169 -0.002 1 2
NO+ nitric oxide cation rN=O 1.066   1.063 -0.002 1 2
C2H2ClF 1-chloro-1-fluoroethylene rCH 1.082 ±0.001 1.080 -0.002 2 5
C10H8 Azulene rC:C 1.405 ±0.001 1.402 -0.002 2 9
O2+ diatomic oxygen cation rOO 1.116   1.114 -0.002 1 2
NO Nitric oxide rN=O 1.154 ±0.000 1.151 -0.002 1 2
CH3CHFCH3 2-Fluoropropane rCH 1.094 ±0.005 1.092 -0.002 4 10
C3F6 hexafluoropropene rC=C 1.329 ±0.003 1.327 -0.002 1 2
CH3CHClCH3 Propane, 2-chloro- rCH 1.091   1.089 -0.002 2 5
C3H8 Propane rCH 1.096   1.094 -0.002 1 4
SeO2 Selenium dioxide rSeO 1.607 ±0.001 1.605 -0.002 1 2
F2 Fluorine diatomic rFF 1.412   1.410 -0.002 1 2
C4H8O2 Ethyl acetate rCC 1.515   1.513 -0.002 5 6
CH3CHS Thioacetaldehyde rCH 1.090   1.088 -0.002 2 5
CH3OC2H5 Ethane, methoxy- rCH 1.099 ±0.007 1.097 -0.002 1 6
C4H8O2 Ethyl acetate rCC 1.508   1.507 -0.001 1 2
NH2SH Thiohydroxylamine rSH 1.344 ±0.029 1.343 -0.001 2 3
C3H6 Cyclopropane rCH 1.083   1.082 -0.001 1 4
CH3OC2H5 Ethane, methoxy- rCH 1.092 ±0.007 1.091 -0.001 4 11
FNO2 Nitryl fluoride rN=O 1.180 ±0.005 1.179 -0.001 1 3
C4H8 cyclobutane rCH 1.093   1.092 -0.001 1 5
CH3NO nitrosomethane rCH 1.092   1.091 -0.001 1 5
CH2CO Ketene rC=O 1.162   1.161 -0.001 2 3
CH2CHF Ethene, fluoro- rCH 1.082   1.081 -0.001 1 4
SiH3F monofluorosilane rSiH 1.476   1.475 -0.001 1 3
C3H3NO Oxazole rCO 1.370 ±0.002 1.369 -0.001 1 5
CH3OC2H5 Ethane, methoxy- rCH 1.100 ±0.003 1.099 -0.001 3 8
CF3COOH trifluoroacetic acid rCC 1.546 ±0.005 1.546 -0.000 1 2
C3H4 cyclopropene rCH 1.088   1.088 0.000 1 6
CN- cyanide anion rC#N 1.177 ±0.004 1.177 0.000 1 2
C2H2 Acetylene rCH 1.063   1.063 0.000 1 3
BH3 boron trihydride rBH 1.190   1.190 0.000 1 2
O2 Oxygen diatomic rO=O 1.208   1.207 0.000 1 2
CH3CH2CHO Propanal rCC 1.523   1.523 0.000 1 2
C4H8 cyclobutane rCH 1.091   1.091 0.000 1 6
SiH3Cl chlorosilane rSiH 1.475   1.475 0.000 1 3
C3H6O 2-Propen-1-ol rCH 1.096 ±0.030 1.096 0.000 1 5
HNCNH diiminomethane rC=N 1.224 ±0.001 1.224 0.000 1 2
AsH3 Arsine rAsH 1.511 ±0.000 1.511 0.000 1 2
CH3CH2CHO Propanal rCC 1.509   1.509 0.000 2 3
GeH germylidene rGeH 1.588   1.588 0.000 1 2
BH Boron monohydride rBH 1.232   1.233 0.000 1 2
CO+ carbon monoxide cation rC=O 1.115 ±0.000 1.115 0.000 1 2
C3H3NO Oxazole rCH 1.075 ±0.001 1.075 0.000 4 7
C3H3NO Oxazole rCH 1.075 ±0.001 1.075 0.000 2 6
C10H8 Azulene rCH 1.084   1.084 0.000 4 14
C3H3NO Oxazole rCH 1.073 ±0.001 1.074 0.000 5 8
BN boron nitride rB=N 1.325   1.326 0.001 1 2
C10H8 Azulene rCH 1.080   1.080 0.001 9 17
CH3CHS Thioacetaldehyde rCH 1.089   1.090 0.001 1 4
CF Fluoromethylidyne rCF 1.276   1.277 0.001 1 2
SiH4 Silane rSiH 1.480 ±0.000 1.481 0.001 1 2
N2 Nitrogen diatomic rN#N 1.098   1.099 0.001 1 2
H2 Hydrogen diatomic rHH 0.741   0.743 0.001 1 2
H2CSe Selenoformaldehyde rC=Se 1.753   1.754 0.001 1 2
CO Carbon monoxide rC#O 1.128 ±0.000 1.129 0.001 1 2
HO2 Hydroperoxy radical rOH 0.971   0.972 0.001 1 3
CH3CHClCH3 Propane, 2-chloro- rCH 1.092   1.093 0.001 3 6
CH3CHFCH3 2-Fluoropropane rCH 1.092   1.093 0.001 1 3
CSe2 Carbon diselenide rC=Se 1.692 ±0.000 1.694 0.001 1 2
C2H2+ acetylene cation rCH 1.077 ±0.005 1.078 0.001 1 3
BeH2 beryllium dihydride rBeH 1.326 ±0.000 1.328 0.002 1 2
CH Methylidyne rCH 1.120   1.122 0.002 1 2
C3H4 cyclopropene rCH 1.072   1.074 0.002 2 4
C4H8O2 Ethyl acetate rC=O 1.203   1.205 0.002 2 4
C2H2 Acetylene rC#C 1.203   1.205 0.002 1 2
CF3COOH trifluoroacetic acid rC=O 1.192 ±0.003 1.194 0.002 2 4
CH4 Methane rCH 1.087 ±0.001 1.089 0.002 1 2
CH3Br methyl bromide rCH 1.082 ±0.001 1.084 0.002 1 3
CH3CCH propyne rCH 1.060   1.062 0.002 3 4
H2O Water rOH 0.958 ±0.000 0.960 0.002 1 2
BeH beryllium monohydride rBeH 1.343   1.345 0.002 1 2
CH3CHO Acetaldehyde rCH 1.086   1.088 0.002 2 5
HF Hydrogen fluoride rHF 0.917 ±0.000 0.919 0.003 1 2
CH3OC2H5 Ethane, methoxy- rCH 1.086 ±0.010 1.089 0.003 1 5
C4H8O2 Ethyl acetate rCO 1.345   1.348 0.003 2 3
C5H8O Methyl cyclopropyl ketone rCC 1.510   1.513 0.003 2 3
GeO Germanium monoxide rOGe 1.625   1.628 0.003 1 2
CH3OC2H5 Ethane, methoxy- rCH 1.089 ±0.008 1.092 0.003 4 10
HCl+ hydrogen chloride cation rHCl 1.315   1.318 0.003 1 2
CH2CHF Ethene, fluoro- rCH 1.077   1.080 0.003 2 5
OH Hydroxyl radical rOH 0.970   0.973 0.003 1 2
SiH+ silicon monohydride cation rSiH 1.504   1.508 0.003 1 2
C2 Carbon diatomic rC=C 1.243   1.246 0.004 1 2
SCSe Carbon sulfide selenide rC=Se 1.695 ±0.002 1.699 0.004 1 3
OH- hydroxide anion rOH 0.964   0.968 0.004 1 2
SCSe Carbon sulfide selenide rC=S 1.553 ±0.002 1.557 0.004 1 2
HOBr Hypobromous acid rOH 0.961   0.965 0.004 1 2
C3H6O 2-Propen-1-ol rCH 1.078 ±0.010 1.082 0.004 3 8
CH3CHFCH3 2-Fluoropropane rCH 1.088 ±0.006 1.092 0.004 4 6
C10H8 Azulene rCH 1.081   1.086 0.004 1 11
C5H8 Ethenylcyclopropane rCC 1.475   1.479 0.004 1 2
C10H8 Azulene rCH 1.083   1.087 0.004 5 15
CH3NH2 methyl amine rCH 1.093 ±0.000 1.097 0.004 1 3
BO boron monoxide rB=O 1.205   1.209 0.005 1 2
NSe Nitrogen monoselenide rN=Se 1.652   1.656 0.005 1 2
C2H3 vinyl rCH 1.085   1.090 0.005 2 4
ScH Scandium monohydride rScH 1.775 ±0.000 1.780 0.005 1 2
C3H6 Cyclopropane rCC 1.501   1.506 0.005 1 2
SiH2F2 difluorosilane rSiH 1.462   1.466 0.005 1 4
CHF3 Methane, trifluoro- rCF 1.328 ±0.003 1.333 0.005 1 3
HCl Hydrogen chloride rHCl 1.275 ±0.000 1.280 0.005 1 2
CH2F2 Methane, difluoro- rCF 1.351 ±0.001 1.356 0.005 1 4
He2+ helium diatomic cation rHeHe 1.081 ±0.001 1.086 0.005 1 2
HO2 Hydroperoxy radical rOO 1.331   1.336 0.005 1 2
CH2F2 Methane, difluoro- rCH 1.084 ±0.003 1.089 0.005 1 2
SiH3+ Silyl cation rSiH 1.460 ±0.010 1.466 0.006 1 2
GeH3F monofluorogermane rGeH 1.515 ±0.000 1.520 0.006 1 3
BF Boron monofluoride rBF 1.267 ±0.000 1.273 0.006 1 2
NH3BF3 Amminetrifluoroboron rBN 1.673   1.679 0.006 1 2
BF3 Borane, trifluoro- rBF 1.307   1.313 0.006 1 2
HS Mercapto radical rSH 1.341   1.347 0.006 1 2
FO Oxygen monofluoride rFO 1.354   1.360 0.006 1 2
CBr4 Carbon tetrabromide rCBr 1.942 ±0.002 1.949 0.007 1 2
CH3OC2H5 Ethane, methoxy- rCO 1.407 ±0.004 1.414 0.007 2 3
SiH Silylidyne rSiH 1.520   1.527 0.007 1 2
HS- mercapto anion rSH 1.343   1.350 0.007 1 2
SeO Selenium monoxide rSeO 1.639 ±0.001 1.647 0.007 1 2
PH phosphorus monohydride rPH 1.422   1.431 0.008 1 2
CH3CSNH2 Ethanethioamide rC=S 1.647 ±0.002 1.655 0.008 1 2
OCSe Carbonyl selenide rC=Se 1.709   1.718 0.009 1 3
C10H8 naphthalene rC:C 1.410   1.419 0.009 2 3
H2CS Thioformaldehyde rC=S 1.611   1.621 0.010 1 2
NH2CONH2 Urea rNH 0.998   1.008 0.010 4 8
CH2CHCH2CH3 1-Butene rCC 1.493   1.503 0.010 2 3
GeS Germanium monosulfide rS=Ge 2.012 ±0.000 2.023 0.011 1 2
B2 Boron diatomic rBB 1.590   1.601 0.011 1 2
GeF+ Germanium monofluoride cation rFGe 1.665 ±0.000 1.677 0.011 1 2
C3O2 Carbon suboxide rC=O 1.146   1.158 0.012 2 4
SiC silicon monocarbide rCSi 1.722   1.734 0.012 1 2
LiH Lithium Hydride rLiH 1.595 ±0.000 1.607 0.012 1 2
C10H8 Azulene rC:C 1.377   1.389 0.012 5 7
PN Phosphorus mononitride rP#N 1.491   1.503 0.012 1 2
MgH magnesium monohydride rMgH 1.730   1.742 0.012 1 2
GaF Gallium monofluoride rFGa 1.774 ±0.000 1.787 0.013 1 2
C10H8 Azulene rC:C 1.484   1.497 0.013 7 8
SiP Silicon monophosphide rSiP 2.078 ±0.002 2.091 0.014 1 2
NO- nitric oxide anion rN=O 1.258 ±0.010 1.272 0.014 1 2
CH2Br2 dibromomethane rCBr 1.925 ±0.002 1.939 0.014 1 4
PF5 Phosphorus pentafluoride rFP 1.577   1.591 0.014 1 5
BeO beryllium oxide rBe=O 1.331   1.345 0.014 1 2
GeBr4 Germanium tetrabromide rGeBr 2.272 ±0.001 2.287 0.015 1 2
CH2Cl2 Methylene chloride rCCl 1.767 ±0.002 1.782 0.015 1 4
GeH3F monofluorogermane rGeF 1.731 ±0.000 1.746 0.015 1 2
LiNH2 lithium amide rLiN 1.736 ±0.003 1.752 0.016 1 2
SiS silicon monosulfide rSiS 1.929 ±0.000 1.945 0.016 1 2
As4 Arsenic tetramer rAsAs 2.435   2.451 0.016 1 2
GeF Germanium monofluoride rFGe 1.745   1.762 0.017 1 2
C2H Ethynyl radical rCH 1.047   1.063 0.017 1 3
C3H5 Allyl radical rCH 1.069   1.086 0.017 1 2
CH3Br methyl bromide rCBr 1.934 ±0.000 1.951 0.017 1 2
HCCl Chloromethylene rCCl 1.696 ±0.003 1.713 0.017 1 2
HOBr Hypobromous acid rBrO 1.834   1.851 0.017 2 3
SiO Silicon monoxide rSiO 1.510 ±0.000 1.527 0.018 1 2
P2 Phosphorus diatomic rP#P 1.893   1.912 0.018 1 2
OPCl Phosphorus oxychloride rP=O 1.462 ±0.011 1.481 0.019 1 2
NS Mononitrogen monosulfide rNS 1.497 ±0.000 1.516 0.019 1 2
AlCl Aluminum monochloride rAlCl 2.130 ±0.000 2.151 0.021 1 2
LiOH lithium hydroxide rLiO 1.582   1.603 0.021 1 2
AsF Arsenic monofluoride rFAs 1.736 ±0.001 1.757 0.021 1 2
C3O2 Carbon suboxide rC=C 1.251   1.272 0.021 1 2
C2H6O2S Dimethyl sulfone rCS 1.777 ±0.006 1.799 0.022 1 4
GeCl Germanium monochloride rClGe 2.164 ±0.000 2.187 0.023 1 2
PO Phosphorus monoxide rP=O 1.476   1.499 0.023 1 2
SO+ sulfur monoxide cation rO=S 1.424   1.447 0.023 1 2
HOCl hypochlorous acid rClO 1.697 ±0.001 1.721 0.023 1 3
AlC Aluminum carbide rC=Al 1.955   1.979 0.024 1 2
Se2 Selenium diatomic rSe=Se 2.166 ±0.001 2.190 0.024 1 2
CrH Chromium hydride rHCr 1.655 ±0.001 1.679 0.024 1 2
SOF4 Sulfur tetrafluoride oxide rFS 1.596 ±0.003 1.620 0.024 1 3
AlNC Aluminum isocyanide rAlN 1.855 ±0.005 1.879 0.024 1 2
C5H8O Cyclopentanone rCC 1.504   1.528 0.024 2 3
SiBr+ Silicon monobromide cation rSiBr 2.095 ±0.000 2.120 0.025 1 2
GaBr Gallium monobromide rGaBr 2.352 ±0.000 2.377 0.025 1 2
PF5 Phosphorus pentafluoride rPF 1.534   1.559 0.025 1 2
SiH3Cl chlorosilane rSiCl 2.051   2.076 0.025 1 2
PS phosphorus sulfide rP=S 1.900   1.927 0.027 1 2
SF4 Sulfur tetrafluoride rSF 1.646 ±0.003 1.673 0.027 1 2
BrF Bromine monofluoride rFBr 1.759 ±0.000 1.786 0.027 1 2
SiH2Cl2 dichlorosilane rSiCl 2.033 ±0.003 2.061 0.028 1 4
SeCl2 Selenium Dichloride rClSe 2.157 ±0.003 2.185 0.028 1 2
SF4 Sulfur tetrafluoride rSF 1.545 ±0.003 1.574 0.029 1 4
F2SO Thionyl Fluoride rO=S 1.413 ±0.000 1.441 0.029 1 2
AlF Aluminum monofluoride rAlF 1.654 ±0.000 1.683 0.029 1 2
SiH3F monofluorosilane rSiF 1.595   1.624 0.029 1 2
SSO Disulfur monoxide rS=O 1.456   1.486 0.030 1 2
PF2 Phosphorus difluoride rPF 1.579   1.610 0.030 1 2
ClO Monochlorine monoxide rClO 1.596 ±0.001 1.626 0.030 1 2
SO Sulfur monoxide rS=O 1.481   1.512 0.031 1 2
AlBr Aluminum monobromide rAlBr 2.295   2.325 0.031 1 2
NaH sodium hydride rNaH 1.887 ±0.000 1.917 0.031 1 2
SiCl Clorosilylidyne rSiCl 2.061 ±0.000 2.093 0.031 1 2
SiF silicon monofluoride rSiF 1.604   1.636 0.031 1 2
SF Monosulfur monofluoride rSF 1.599   1.631 0.032 1 2
SiF2 Silicon difluoride rFSi 1.590 ±0.000 1.622 0.032 1 2
HSiCl Chlorosilylene rSiCl 2.067 ±0.003 2.099 0.032 1 2
SOF4 Sulfur tetrafluoride oxide rFS 1.539 ±0.003 1.572 0.033 1 5
S2 Sulfur diatomic rS=S 1.889   1.922 0.033 1 2
ClOF3 Chlorine trifluoride oxide rFCl 1.713 ±0.003 1.746 0.033 1 4
SSO Disulfur monoxide rS=S 1.884   1.917 0.033 2 3
F2SO Thionyl Fluoride rFS 1.585 ±0.000 1.619 0.034 1 3
Li2 Lithium diatomic rLiLi 2.673   2.707 0.034 1 2
ClF Chlorine monofluoride rFCl 1.628 ±0.000 1.663 0.035 1 2
OPCl Phosphorus oxychloride rPCl 2.059 ±0.004 2.094 0.035 1 3
C2H6O2S Dimethyl sulfone rS=O 1.431 ±0.004 1.470 0.039 1 2
GaAs Gallium arsenide rGa#As 2.530 ±0.020 2.569 0.039 1 2
BrO Bromine monoxide rOBr 1.718   1.757 0.039 1 2
LiO lithium oxide rLiO 1.688   1.729 0.041 1 2
LiCl lithium chloride rLiCl 2.021 ±0.000 2.062 0.041 1 2
CFCl chlorofluoromethylene rCCl 1.714   1.755 0.041 1 3
LiF lithium fluoride rLiF 1.564 ±0.000 1.607 0.043 1 2
Cl2+ chlorine diatomic cation rClCl 1.892   1.935 0.044 1 2
NaCl Sodium Chloride rNaCl 2.361 ±0.000 2.406 0.045 1 2
LiBr Lithium Bromide rLiBr 2.170 ±0.000 2.215 0.045 1 2
SCl2 Sulfur dichloride rSCl 2.013 ±0.001 2.059 0.046 1 2
Br2 Bromine diatomic rBrBr 2.281   2.328 0.047 1 2
NaF sodium fluoride rNaF 1.926 ±0.000 1.974 0.048 1 2
BrCl Bromine monochloride rClBr 2.136 ±0.000 2.185 0.049 1 2
ClOF3 Chlorine trifluoride oxide rFCl 1.603 ±0.004 1.653 0.050 1 3
Cl2 Chlorine diatomic rClCl 1.988   2.040 0.052 1 2
NCl nitrogen monochloride rNCl 1.611 ±0.000 1.664 0.054 1 2
SCl sulfur monochloride rSCl 1.975   2.029 0.054 1 2
TiCl Titanium Monochloride rClTi 2.265 ±0.000 2.319 0.055 1 2
C4H8O2 Ethyl acetate rCO 1.448   1.513 0.065 5 6
NaLi lithium sodium rLiNa 2.889   2.968 0.079 1 2
KH Potassium hydride rKH 2.243 ±0.001 2.388 0.146 1 2
CaH Calcium monohydride rCaH 2.003 ±0.000 2.174 0.171 1 2
CaC Calcium monocarbide rC#Ca 2.302   2.501 0.199 1 2
CaBr Calcium monobromide rCaBr 2.594 ±0.000 2.803 0.209 1 2
Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- rAlCl 2.040 ±0.040 2.276 0.236 1 3
C4H10O Methyl propyl ether rCH 1.099   1.410 0.311 1 2
CaO Calcium monoxide rOCa 1.822   2.194 0.372 1 2
298 molecules.