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Average Bond Length Differences by Model Chemistry

Calculated at CCSD(T)=FULL/6-31G*

Species Name Bond type Bond Length (Å)
Experimental unc. Calculated Difference atom1 atom2
C4H10O Methyl propyl ether rCC 1.530   1.099 -0.431 5 13
GeO Germanium monoxide rOGe 1.625   1.518 -0.107 1 2
AsH Arsenic monohydride rAsH 1.535 ±0.001 1.500 -0.035 1 2
C5H8O Methyl cyclopropyl ketone rCH 1.126   1.094 -0.032 3 7
NaF sodium fluoride rNaF 1.926 ±0.000 1.896 -0.030 1 2
C2H2O2 Ethanedial rCH 1.132   1.108 -0.024 1 3
SiC silicon monocarbide rCSi 1.722   1.699 -0.023 1 2
HeH+ Helium hydride cation rHHe 0.790   0.769 -0.021 1 2
CH3OCl methyl hypochlorite rCH 1.111 ±0.018 1.095 -0.016 3 4
CH3CH2CH2CH3 Butane rCH 1.117   1.102 -0.015 1 5
H2Cl+ dihydrogen monochloride cation rHCl 1.321 ±0.000 1.307 -0.014 1 2
C4H8O2 Ethyl acetate rCH 1.105   1.093 -0.012 1 7
CF3COOH trifluoroacetic acid rCC 1.546 ±0.005 1.534 -0.012 1 2
ArH+ Argon hydride cation rArH 1.292 ±0.000 1.282 -0.010 1 2
FNO2 Nitryl fluoride rNF 1.467 ±0.015 1.458 -0.009 1 2
C2H2O2 Ethanedial rCC 1.526   1.518 -0.008 1 2
LiOH lithium hydroxide rOH 0.969   0.961 -0.008 1 3
C5H8 Ethenylcyclopropane rCH 1.099   1.092 -0.007 1 6
CH3CH2CHO Propanal rCH 1.103   1.096 -0.007 1 6
HS+ sulfur monohydride cation rSH 1.374   1.368 -0.007 1 2
C3F6 hexafluoropropene rCF 1.329 ±0.003 1.322 -0.007 1 4
C5H6 Propellane rCC 1.525 ±0.002 1.519 -0.006 1 2
B2H6 Diborane rBH 1.320   1.314 -0.006 1 3
B2H6 Diborane rBH 1.200   1.195 -0.005 1 5
CH2NH Methanimine rCH 1.103   1.099 -0.004 1 3
C5H6 Propellane rCC 1.596 ±0.005 1.593 -0.003 2 5
CH3CH2CHO Propanal rCH 1.105   1.103 -0.002 2 8
CH2 Methylene rCH 1.085   1.083 -0.002 1 2
CH2CHCH2CH3 1-Butene rCC 1.536   1.534 -0.002 1 2
CH3CH2CHO Propanal rCH 1.115   1.113 -0.002 3 10
CH3CHO Acetaldehyde rCH 1.114   1.113 -0.001 1 4
CH3NH2 methyl amine rCN 1.471 ±0.003 1.470 -0.001 1 2
GaAs Gallium arsenide rGa#As 2.530 ±0.020 2.529 -0.001 1 2
CH2PH Phosphaethene rCH 1.090 ±0.015 1.089 -0.001 1 3
HCCl Chloromethylene rCH 1.119 ±0.036 1.118 -0.001 1 3
CH3CH2CH2CH3 Butane rCC 1.531   1.530 -0.001 1 2
CH2PH Phosphaethene rCH 1.090 ±0.015 1.090 0.000 1 4
GaF Gallium monofluoride rFGa 1.774 ±0.000 1.775 0.000 1 2
C4H8O2 Ethyl acetate rCC 1.515   1.515 0.000 5 6
C4H8O2 Ethyl acetate rCC 1.508   1.508 0.000 1 2
BeCl beryllium monochloride rBeCl 1.797   1.798 0.000 1 2
H2CSe Selenoformaldehyde rHC 1.090   1.091 0.000 1 3
CH3CH2CHO Propanal rCH 1.096   1.097 0.001 1 5
CH3NO nitrosomethane rCH 1.094   1.095 0.001 1 4
CH3CCH propyne rCH 1.096   1.097 0.001 1 5
SiH2Cl2 dichlorosilane rSiH 1.480 ±0.015 1.481 0.001 1 2
CH2CO Ketene rCH 1.083   1.084 0.001 1 4
CHF3 Methane, trifluoro- rCH 1.091 ±0.014 1.093 0.002 1 2
NH4+ ammonium cation rHN 1.029 ±0.000 1.031 0.002 1 2
LiF lithium fluoride rLiF 1.564 ±0.000 1.566 0.002 1 2
CH3OC2H5 Ethane, methoxy- rCO 1.415 ±0.005 1.417 0.002 1 2
C4H6 Bicyclo[1.1.0]butane rCC 1.497   1.499 0.002 1 2
CH3CH2CHO Propanal rCC 1.509   1.511 0.002 2 3
B2 Boron diatomic rBB 1.590   1.592 0.002 1 2
CH3CH2CHO Propanal rCC 1.523   1.525 0.002 1 2
CH2NN diazomethane rC=N 1.300   1.303 0.003 1 2
C2H Ethynyl radical rC#C 1.217   1.219 0.003 1 2
CH3CHFCH3 2-Fluoropropane rCH 1.093 ±0.006 1.096 0.003 4 8
CH3CHFCH3 2-Fluoropropane rCH 1.094 ±0.005 1.097 0.003 4 10
OCSe Carbonyl selenide rC=Se 1.709   1.713 0.004 1 3
CH3NH2 methyl amine rNH 1.018 ±0.001 1.022 0.004 2 6
C2H2ClF 1-chloro-1-fluoroethylene rCH 1.082 ±0.001 1.086 0.004 2 5
NH3BF3 Amminetrifluoroboron rBN 1.673   1.677 0.004 1 2
CH3OC2H5 Ethane, methoxy- rCH 1.092 ±0.007 1.096 0.004 4 11
C5H8O Methyl cyclopropyl ketone rCC 1.510   1.514 0.004 2 3
CH3OC2H5 Ethane, methoxy- rCH 1.099 ±0.007 1.103 0.004 1 6
CSe2 Carbon diselenide rC=Se 1.692 ±0.000 1.697 0.004 1 2
C3H8 Propane rCH 1.096   1.101 0.005 1 4
SiH3+ Silyl cation rSiH 1.460 ±0.010 1.465 0.005 1 2
H2 Hydrogen diatomic rHH 0.741   0.746 0.005 1 2
SCSe Carbon sulfide selenide rC=Se 1.695 ±0.002 1.700 0.005 1 3
CH2Cl2 Methylene chloride rCH 1.085 ±0.002 1.090 0.005 1 2
CH3CHClCH3 Propane, 2-chloro- rCH 1.091   1.096 0.005 2 5
CH3NO nitrosomethane rCH 1.092   1.097 0.005 1 5
C4H8 cyclobutane rCH 1.093   1.099 0.005 1 5
C3H3NO Oxazole rCO 1.357 ±0.003 1.363 0.005 1 2
KF Potassium Fluoride rKF 2.171 ±0.000 2.177 0.005 1 2
NH2SH Thiohydroxylamine rSH 1.344 ±0.029 1.350 0.006 2 3
C3H6 Cyclopropane rCH 1.083   1.089 0.006 1 4
CH2CHF Ethene, fluoro- rCH 1.082   1.088 0.006 1 4
HOCl hypochlorous acid rOH 0.973 ±0.002 0.979 0.006 1 2
CH3OC2H5 Ethane, methoxy- rCH 1.100 ±0.003 1.106 0.006 3 8
CH2NN diazomethane rCH 1.075   1.081 0.006 1 4
HClO4 perchloric acid rOH 0.980   0.986 0.006 3 6
BH3 boron trihydride rBH 1.190   1.196 0.006 1 2
HNO3 Nitric acid rNO 1.406   1.413 0.007 1 2
C5H8 Ethenylcyclopropane rCC 1.475   1.482 0.007 1 2
C4H8 cyclobutane rCH 1.091   1.098 0.007 1 6
C3F6 hexafluoropropene rC=C 1.329 ±0.003 1.336 0.007 1 2
CH3CHClCH3 Propane, 2-chloro- rCH 1.092   1.099 0.007 3 6
C2H2 Acetylene rCH 1.063   1.070 0.007 1 3
HSiCl Chlorosilylene rSiH 1.525 ±0.005 1.532 0.007 1 3
C3H4 cyclopropene rCH 1.088   1.095 0.007 1 6
C2H2+ acetylene cation rC=C 1.253 ±0.001 1.260 0.007 1 2
C3H6 Cyclopropane rCC 1.501   1.508 0.007 1 2
H2CSe Selenoformaldehyde rC=Se 1.753   1.761 0.008 1 2
C3H3NO Oxazole rCH 1.073 ±0.001 1.081 0.008 5 8
C3H3NO Oxazole rCH 1.075 ±0.001 1.083 0.008 4 7
CH3Br methyl bromide rCH 1.082 ±0.001 1.090 0.008 1 3
CBr4 Carbon tetrabromide rCBr 1.942 ±0.002 1.950 0.008 1 2
C2H2+ acetylene cation rCH 1.077 ±0.005 1.085 0.008 1 3
AlCl Aluminum monochloride rAlCl 2.130 ±0.000 2.138 0.008 1 2
C3H3NO Oxazole rCH 1.075 ±0.001 1.083 0.008 2 6
CH3CHO Acetaldehyde rCH 1.086   1.094 0.008 2 5
CH3CHFCH3 2-Fluoropropane rCH 1.092   1.101 0.009 1 3
C3H3NO Oxazole rCO 1.370 ±0.002 1.378 0.009 1 5
SCSe Carbon sulfide selenide rC=S 1.553 ±0.002 1.562 0.009 1 2
CH3OC2H5 Ethane, methoxy- rCH 1.086 ±0.010 1.095 0.009 1 5
As4 Arsenic tetramer rAsAs 2.435   2.444 0.009 1 2
CH3OC2H5 Ethane, methoxy- rCH 1.089 ±0.008 1.098 0.009 4 10
CH2CHF Ethene, fluoro- rCH 1.077   1.087 0.010 2 5
AlC Aluminum carbide rC=Al 1.955   1.965 0.010 1 2
CH3CCH propyne rCH 1.060   1.070 0.010 3 4
CH3CHFCH3 2-Fluoropropane rCH 1.088 ±0.006 1.098 0.010 4 6
CH2Cl2 Methylene chloride rCCl 1.767 ±0.002 1.777 0.010 1 4
AsF3 Arsenic trifluoride rAsF 1.706 ±0.002 1.716 0.010 1 2
C3H4 cyclopropene rCH 1.072   1.082 0.010 2 4
NH2F monofluoroamine rNF 1.433   1.443 0.010 1 2
CH3CSNH2 Ethanethioamide rC=S 1.647 ±0.002 1.657 0.010 1 2
GaBr Gallium monobromide rGaBr 2.352 ±0.000 2.363 0.011 1 2
SiH4 Silane rSiH 1.480 ±0.000 1.491 0.011 1 2
C2H3 vinyl rCH 1.085   1.096 0.011 2 4
SiH3F monofluorosilane rSiH 1.476   1.487 0.011 1 3
BeH2 beryllium dihydride rBeH 1.326 ±0.000 1.338 0.011 1 2
CH2F2 Methane, difluoro- rCH 1.084 ±0.003 1.095 0.011 1 2
SiH3Cl chlorosilane rSiH 1.475   1.486 0.011 1 3
CH3OCl methyl hypochlorite rCH 1.086 ±0.018 1.097 0.011 3 5
OCSe Carbonyl selenide rC=O 1.159   1.170 0.012 1 2
CH3NH2 methyl amine rCH 1.093 ±0.000 1.104 0.012 1 3
CH3CH2O Ethoxy radical rCH 1.085   1.097 0.012 1 5
BN boron nitride rB=N 1.325   1.337 0.012 1 2
CH Methylidyne rCH 1.120   1.132 0.012 1 2
C4H8O2 Ethyl acetate rCO 1.345   1.357 0.012 2 3
LiOH lithium hydroxide rLiO 1.582   1.594 0.012 1 2
CH2CHCH2CH3 1-Butene rCC 1.493   1.505 0.012 2 3
BH Boron monohydride rBH 1.232   1.245 0.012 1 2
C2H6O2S Dimethyl sulfone rCS 1.777 ±0.006 1.790 0.013 1 4
CH3CH2O Ethoxy radical rCH 1.086   1.099 0.013 1 4
HCl Hydrogen chloride rHCl 1.275 ±0.000 1.287 0.013 1 2
H2O Water rOH 0.958 ±0.000 0.971 0.013 1 2
C2H2 Acetylene rC#C 1.203   1.216 0.013 1 2
HNCNH diiminomethane rC=N 1.224 ±0.001 1.237 0.013 1 2
BF3 Borane, trifluoro- rBF 1.307   1.320 0.013 1 2
C2 Carbon diatomic rC=C 1.243   1.256 0.014 1 2
SiH+ silicon monohydride cation rSiH 1.504   1.518 0.014 1 2
HS Mercapto radical rSH 1.341   1.355 0.014 1 2
ClCN chlorocyanogen rC#N 1.161   1.174 0.014 2 3
BO boron monoxide rB=O 1.205   1.218 0.014 1 2
SiH3Cl chlorosilane rSiCl 2.051   2.065 0.014 1 2
CH2F2 Methane, difluoro- rCF 1.351 ±0.001 1.365 0.014 1 4
CH3OC2H5 Ethane, methoxy- rCO 1.407 ±0.004 1.421 0.014 2 3
N3 azide radical rNN 1.181   1.196 0.014 1 2
NO Nitric oxide rN=O 1.154 ±0.000 1.168 0.014 1 2
C4H8O2 Ethyl acetate rC=O 1.203   1.217 0.014 2 4
BeH beryllium monohydride rBeH 1.343   1.357 0.015 1 2
SiP Silicon monophosphide rSiP 2.078 ±0.002 2.092 0.015 1 2
HO2 Hydroperoxy radical rOH 0.971   0.985 0.015 1 3
CHF3 Methane, trifluoro- rCF 1.328 ±0.003 1.343 0.015 1 3
OH Hydroxyl radical rOH 0.970   0.985 0.015 1 2
CSe Carbon monoselenide rC=Se 1.676 ±0.000 1.691 0.015 1 2
AsF Arsenic monofluoride rFAs 1.736 ±0.001 1.751 0.015 1 2
COBr2 Carbonic dibromide rC=O 1.172 ±0.003 1.187 0.015 1 2
H2CS Thioformaldehyde rC=S 1.611   1.626 0.015 1 2
GeF Germanium monofluoride rFGe 1.745   1.761 0.016 1 2
ClOF3 Chlorine trifluoride oxide rFCl 1.713 ±0.003 1.729 0.016 1 4
CO+ carbon monoxide cation rC=O 1.115 ±0.000 1.131 0.016 1 2
P2+ phosphorus diatomic cation rPP 1.986   2.002 0.016 1 2
BF Boron monofluoride rBF 1.267 ±0.000 1.283 0.016 1 2
LiNH2 lithium amide rLiN 1.736 ±0.003 1.752 0.016 1 2
AlF Aluminum monofluoride rAlF 1.654 ±0.000 1.671 0.016 1 2
CF3COOH trifluoroacetic acid rC=O 1.192 ±0.003 1.208 0.016 2 4
CBrClF2 Methane, bromochlorodifluoro- rCBr 1.932 ±0.004 1.949 0.017 1 2
SF4 Sulfur tetrafluoride rSF 1.646 ±0.003 1.663 0.017 1 2
PH phosphorus monohydride rPH 1.422   1.439 0.017 1 2
HCCl Chloromethylene rCCl 1.696 ±0.003 1.713 0.017 1 2
SiH2Cl2 dichlorosilane rSiCl 2.033 ±0.003 2.050 0.017 1 4
CH2CO Ketene rC=O 1.162   1.180 0.018 2 3
NS+ nitrogen sulfide cation rNS 1.440   1.458 0.018 1 2
HF+ hydrogen fluoride cation rHF 1.014   1.032 0.018 1 2
GeH3F monofluorogermane rGeF 1.731 ±0.000 1.749 0.018 1 2
DF Hydrofluoric acid-d rDF 0.917 ±0.000 0.935 0.018 1 2
SiH2F2 difluorosilane rSiH 1.462   1.479 0.018 1 4
CN- cyanide anion rC#N 1.177 ±0.004 1.195 0.018 1 2
HOBr Hypobromous acid rOH 0.961   0.979 0.018 1 2
BeO beryllium oxide rBe=O 1.331   1.349 0.018 1 2
HF Hydrogen fluoride rHF 0.917 ±0.000 0.935 0.018 1 2
AlNC Aluminum isocyanide rAlN 1.855 ±0.005 1.873 0.018 1 2
FNO2 Nitryl fluoride rN=O 1.180 ±0.005 1.199 0.019 1 3
MgO magnesium oxide rMgO 1.749   1.768 0.019 1 2
CF Fluoromethylidyne rCF 1.276   1.295 0.019 1 2
SiCl Clorosilylidyne rSiCl 2.061 ±0.000 2.080 0.019 1 2
TiCl Titanium Monochloride rClTi 2.265 ±0.000 2.283 0.019 1 2
LiBr Lithium Bromide rLiBr 2.170 ±0.000 2.189 0.019 1 2
CO Carbon monoxide rC#O 1.128 ±0.000 1.147 0.019 1 2
ClCN chlorocyanogen rCCl 1.629   1.648 0.019 1 2
SiBr+ Silicon monobromide cation rSiBr 2.095 ±0.000 2.115 0.019 1 2
SiH Silylidyne rSiH 1.520   1.540 0.020 1 2
SiS silicon monosulfide rSiS 1.929 ±0.000 1.949 0.020 1 2
CH2NN diazomethane rN=N 1.139   1.159 0.020 2 3
CH3CH2O Ethoxy radical rCH 1.088   1.108 0.020 2 7
HO2 Hydroperoxy radical rOO 1.331   1.351 0.020 1 2
HS- mercapto anion rSH 1.343   1.363 0.020 1 2
HSiCl Chlorosilylene rSiCl 2.067 ±0.003 2.087 0.020 1 2
CH4 Methane rCH 1.087 ±0.001 1.108 0.021 1 2
O2 Oxygen diatomic rO=O 1.208   1.229 0.021 1 2
PN Phosphorus mononitride rP#N 1.491   1.512 0.021 1 2
CH3SeH Methane selenol rSeH 1.473 ±0.020 1.494 0.021 1 3
N2 Nitrogen diatomic rN#N 1.098   1.119 0.021 1 2
NO+ nitric oxide cation rN=O 1.066   1.088 0.022 1 2
CH2Br2 dibromomethane rCBr 1.925 ±0.002 1.947 0.022 1 4
NF nitrogen fluoride rNF 1.317   1.339 0.022 1 2
GeS Germanium monosulfide rS=Ge 2.012 ±0.000 2.034 0.022 1 2
SiH3F monofluorosilane rSiF 1.595   1.618 0.023 1 2
C2H Ethynyl radical rCH 1.047   1.070 0.024 1 3
C3H5 Allyl radical rCH 1.069   1.093 0.024 1 2
HSe Selenium monohydride rSeH 1.475 ±0.010 1.499 0.024 1 2
FO Oxygen monofluoride rFO 1.354   1.378 0.024 1 2
PO Phosphorus monoxide rP=O 1.476   1.500 0.024 1 2
OH- hydroxide anion rOH 0.964   0.988 0.024 1 2
ScH Scandium monohydride rScH 1.775 ±0.000 1.800 0.025 1 2
SiF silicon monofluoride rSiF 1.604   1.629 0.025 1 2
NSe Nitrogen monoselenide rN=Se 1.652   1.677 0.025 1 2
SiO Silicon monoxide rSiO 1.510 ±0.000 1.535 0.025 1 2
P2 Phosphorus diatomic rP#P 1.893   1.919 0.026 1 2
SOF4 Sulfur tetrafluoride oxide rFS 1.596 ±0.003 1.622 0.026 1 3
SiF2 Silicon difluoride rFSi 1.590 ±0.000 1.616 0.026 1 2
As2 Arsenic diatomic rAs#As 2.103   2.129 0.026 1 2
CH3Br methyl bromide rCBr 1.934 ±0.000 1.960 0.026 1 2
O2+ diatomic oxygen cation rOO 1.116   1.143 0.026 1 2
LiO lithium oxide rLiO 1.688   1.715 0.027 1 2
C5H8O Cyclopentanone rCC 1.504   1.532 0.028 2 3
NS Mononitrogen monosulfide rNS 1.497 ±0.000 1.525 0.028 1 2
Se2 Selenium diatomic rSe=Se 2.166 ±0.001 2.195 0.029 1 2
SeCl2 Selenium Dichloride rClSe 2.157 ±0.003 2.186 0.029 1 2
HBr hydrogen bromide rHBr 1.414 ±0.000 1.444 0.030 1 2
GeF+ Germanium monofluoride cation rFGe 1.665 ±0.000 1.695 0.030 1 2
C3O2 Carbon suboxide rC=C 1.251   1.281 0.030 1 2
PF2 Phosphorus difluoride rPF 1.579   1.610 0.030 1 2
HSSSH trisulfane rSS 2.054 ±0.000 2.084 0.030 1 2
SeO2 Selenium dioxide rSeO 1.607 ±0.001 1.637 0.030 1 2
GeCl Germanium monochloride rClGe 2.164 ±0.000 2.195 0.031 1 2
PS phosphorus sulfide rP=S 1.900   1.931 0.031 1 2
F2 Fluorine diatomic rFF 1.412   1.443 0.031 1 2
SeO Selenium monoxide rSeO 1.639 ±0.001 1.671 0.032 1 2
C3O2 Carbon suboxide rC=O 1.146   1.178 0.032 2 4
NaCl Sodium Chloride rNaCl 2.361 ±0.000 2.393 0.032 1 2
H2Se Hydrogen selenide rSeH 1.460   1.492 0.032 1 2
AlN Aluminum nitride rN#Al 1.786   1.819 0.033 1 2
F2SO Thionyl Fluoride rO=S 1.413 ±0.000 1.447 0.034 1 2
S2 Sulfur diatomic rS=S 1.889   1.923 0.034 1 2
ClO Monochlorine monoxide rClO 1.596 ±0.001 1.630 0.034 1 2
BrF Bromine monofluoride rFBr 1.759 ±0.000 1.794 0.035 1 2
SF Monosulfur monofluoride rSF 1.599   1.635 0.035 1 2
HOCl hypochlorous acid rClO 1.697 ±0.001 1.733 0.035 1 3
F2SO Thionyl Fluoride rFS 1.585 ±0.000 1.621 0.036 1 3
SO+ sulfur monoxide cation rO=S 1.424   1.461 0.037 1 2
GeH3F monofluorogermane rGeH 1.515 ±0.000 1.552 0.038 1 3
HClO4 perchloric acid rO=Cl 1.414 ±0.001 1.452 0.038 1 2
SCl2 Sulfur dichloride rSCl 2.013 ±0.001 2.052 0.039 1 2
C2H6O2S Dimethyl sulfone rS=O 1.431 ±0.004 1.470 0.039 1 2
SSO Disulfur monoxide rS=S 1.884   1.924 0.039 2 3
AsH3 Arsine rAsH 1.511 ±0.000 1.550 0.039 1 2
KrH+ Protonated Krypton rHKr 1.421 ±0.000 1.461 0.039 1 2
SO Sulfur monoxide rS=O 1.481   1.521 0.040 1 2
SSO Disulfur monoxide rS=O 1.456   1.497 0.041 1 2
SF4 Sulfur tetrafluoride rSF 1.545 ±0.003 1.586 0.041 1 4
GeH germylidene rGeH 1.588   1.630 0.042 1 2
MgH magnesium monohydride rMgH 1.730   1.772 0.042 1 2
ClF Chlorine monofluoride rFCl 1.628 ±0.000 1.671 0.042 1 2
CFCl chlorofluoromethylene rCCl 1.714   1.757 0.043 1 3
SCl sulfur monochloride rSCl 1.975   2.019 0.044 1 2
KBr Potassium Bromide rKBr 2.821 ±0.000 2.865 0.045 1 2
LiCl lithium chloride rLiCl 2.021 ±0.000 2.065 0.045 1 2
SOF4 Sulfur tetrafluoride oxide rFS 1.539 ±0.003 1.585 0.046 1 5
HOBr Hypobromous acid rBrO 1.834   1.880 0.046 2 3
Br2 Bromine diatomic rBrBr 2.281   2.329 0.048 1 2
Cl2 Chlorine diatomic rClCl 1.988   2.038 0.050 1 2
BrCl Bromine monochloride rClBr 2.136 ±0.000 2.186 0.050 1 2
HBr+ hydrogen bromide cation rHBr 1.448   1.499 0.051 1 2
Li2 Lithium diatomic rLiLi 2.673   2.724 0.051 1 2
HClO4 perchloric acid rOCl 1.641 ±0.002 1.694 0.053 1 3
NaLi lithium sodium rLiNa 2.889   2.945 0.056 1 2
LiH Lithium Hydride rLiH 1.595 ±0.000 1.652 0.057 1 2
HClO4 perchloric acid rO=Cl 1.404 ±0.001 1.463 0.059 1 4
BrO Bromine monoxide rOBr 1.718   1.779 0.061 1 2
ClOF3 Chlorine trifluoride oxide rFCl 1.603 ±0.004 1.668 0.065 1 3
C4H8O2 Ethyl acetate rCO 1.448   1.515 0.067 5 6
KCl Potassium Chloride rKCl 2.667 ±0.000 2.743 0.076 1 2
He2+ helium diatomic cation rHeHe 1.081 ±0.001 1.163 0.083 1 2
HCl+ hydrogen chloride cation rHCl 1.315   1.418 0.104 1 2
KH Potassium hydride rKH 2.243 ±0.001 2.347 0.105 1 2
CrH Chromium hydride rHCr 1.655 ±0.001 1.806 0.151 1 2
CaH Calcium monohydride rCaH 2.003 ±0.000 2.154 0.152 1 2
CaO Calcium monoxide rOCa 1.822   1.980 0.157 1 2
Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- rAlCl 2.040 ±0.040 2.267 0.227 1 3
C4H10O Methyl propyl ether rCH 1.099   1.417 0.318 1 2
296 molecules.