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IV.D.8.

Average Bond Length Differences by Model Chemistry

Calculated at CCD/6-311G*

Species Name Bond type Bond Length (Å)
Experimental unc. Calculated Difference atom1 atom2
LiO lithium oxide rLiO 1.688   1.588 -0.100 1 2
Si2 Silicon diatomic rSiSi 2.246   2.159 -0.087 1 2
PS phosphorus sulfide rP=S 1.900   1.832 -0.068 1 2
LiCl- lithium chloride anion rLiCl 2.180   2.127 -0.053 1 2
NaK Sodium Potassium rNaK 3.589 ±0.010 3.544 -0.045 1 2
C2Cl2 dichloroacetylene rC#C 1.246 ±0.030 1.204 -0.042 1 2
C6H6 Fulvene rCH 1.130 ±0.030 1.088 -0.042 2 7
C5H6 Bicyclo[2.1.0]pent-2-ene rCC 1.560   1.520 -0.040 3 5
NS Mononitrogen monosulfide rNS 1.497 ±0.000 1.458 -0.039 1 2
CN Cyano radical rC#N 1.172   1.135 -0.037 1 2
SiN Silicon nitride rSiN 1.575   1.539 -0.036 1 2
C2H Ethynyl radical rC#C 1.217   1.184 -0.032 1 2
CH2O2 Dioxirane rOO 1.516 ±0.003 1.484 -0.032 4 5
C5H8 Bicyclo[2.1.0]pentane rCC 1.536   1.506 -0.030 1 5
CP Carbon monophosphide rC#P 1.562   1.537 -0.025 1 2
N2O3 Dinitrogen trioxide rN=O 1.217   1.193 -0.024 2 5
CO+ carbon monoxide cation rC=O 1.115 ±0.000 1.093 -0.023 1 2
C3H8O2 1,3-Propanediol rOH 0.980   0.958 -0.022 6 8
HO2 Hydroperoxy radical rOO 1.331   1.309 -0.021 1 2
LiOH lithium hydroxide rOH 0.969   0.948 -0.021 1 3
NO Nitric oxide rN=O 1.154 ±0.000 1.133 -0.021 1 2
C7H16 heptane rCH 1.121 ±0.007 1.101 -0.020 1 8
CH3OCl methyl hypochlorite rHC 1.111 ±0.018 1.093 -0.018 3 4
Si(CH3)4 tetramethylsilane rCH 1.115 ±7.000 1.097 -0.018 2 6
HF+ hydrogen fluoride cation rHF 1.014   0.997 -0.018 1 2
C9H8 Indene rCC 1.415 ±0.170 1.401 -0.014 1 2
CHF2Cl difluorochloromethane rCF 1.350 ±0.010 1.336 -0.014 1 4
BN boron nitride rB=N 1.325   1.311 -0.014 1 2
CH2CHCHO Acrolein rC=O 1.219 ±0.005 1.206 -0.013 1 4
O2 Oxygen diatomic rO=O 1.208   1.195 -0.012 1 2
CH2FCl fluorochloromethane rCF 1.370 ±0.001 1.358 -0.012 1 2
P2+ phosphorus dimer cation rPP 1.986   1.974 -0.012 1 2
HClO4 perchloric acid rHO 0.980   0.968 -0.012 3 6
OCSe Carbonyl selenide rC=O 1.159   1.147 -0.012 1 2
C2H5F fluoroethane rCF 1.398 ±0.007 1.387 -0.011 1 3
O2+ diatomic oxygen cation rOO 1.116   1.106 -0.010 1 2
LiOH lithium hydroxide rLiO 1.582   1.572 -0.010 1 2
BeO beryllium oxide rBe=O 1.331   1.321 -0.010 1 2
F2 Fluorine diatomic rFF 1.412   1.402 -0.010 1 2
CH2Cl chloromethyl radical rHC 1.090 ±0.010 1.080 -0.010 1 3
N2O3 Dinitrogen trioxide rN=O 1.202   1.192 -0.010 2 4
N3 azide radical rNN 1.181   1.172 -0.009 1 2
CH3CH2CHO Propanal rCH 1.103   1.094 -0.009 1 6
PO Phosphorus monoxide rP=O 1.476   1.467 -0.009 1 2
NF nitrogen fluoride rNF 1.317   1.309 -0.008 1 2
SiH2Cl2 dichlorosilane rSiH 1.480 ±0.015 1.472 -0.008 1 2
CH2O2 Dioxirane rCO 1.388 ±0.004 1.380 -0.007 1 4
SeO2 Selenium dioxide rSeO 1.607 ±0.001 1.600 -0.007 1 2
NS+ nitrogen sulfide cation rNS 1.440   1.433 -0.007 1 2
BO boron monoxide rB=O 1.205   1.198 -0.006 1 2
CH2CHCHO Acrolein rC=C 1.345 ±0.003 1.339 -0.006 2 3
KF Potassium Fluoride rKF 2.171 ±0.000 2.165 -0.006 1 2
CH2NH Methanimine rCH 1.103   1.097 -0.006 1 3
CF3COOH trifluoroacetic acid rCC 1.546 ±0.005 1.540 -0.006 1 2
CH2NN diazomethane rN=N 1.139   1.133 -0.006 2 3
B2H6 Diborane rBH 1.200   1.194 -0.006 1 5
NH+ imidogen cation rHN 1.070 ±0.001 1.065 -0.005 1 2
CH3NH2 methyl amine rNH 1.018 ±0.001 1.013 -0.005 2 6
CH3NH2 methyl amine rCN 1.471 ±0.003 1.466 -0.005 1 2
SOCl2 thionyl chloride rS=O 1.443 ±0.006 1.438 -0.005 1 2
C5H6 Bicyclo[2.1.0]pent-2-ene rCC 1.530   1.525 -0.005 1 3
CF Fluoromethylidyne rCF 1.276   1.271 -0.005 1 2
C6H6 Fulvene rC=C 1.349 ±0.002 1.344 -0.005 1 2
CH3CH2CHO Propanal rCH 1.105   1.100 -0.005 2 8
NO+ nitric oxide cation rN=O 1.066   1.061 -0.005 1 2
C8H8 cubane rCH 1.097   1.093 -0.004 1 9
C2HF3 Trifluoroethylene rCF 1.316 ±0.011 1.312 -0.004 1 3
PH+ phosphorus monohydride cation rHP 1.435   1.431 -0.004 1 2
CuH Copper monohydride rHCu 1.463   1.459 -0.004 1 2
HO2 Hydroperoxy radical rOH 0.971   0.967 -0.004 1 3
CH3CH2OH Ethanol rCH 1.098   1.095 -0.003 1 6
CS carbon monosulfide rC#S 1.535   1.532 -0.003 1 2
C7H16 heptane rCC 1.534   1.531 -0.003 1 2
CH2 Methylene rCH 1.085   1.082 -0.003 1 2
CH3CH2CHO Propanal rCH 1.115   1.112 -0.003 3 10
SiS silicon monosulfide rSiS 1.929 ±0.000 1.927 -0.003 1 2
CSe Carbon monoselenide rC=Se 1.676 ±0.000 1.674 -0.003 1 2
CH2PH H2CPH rCH 1.090 ±0.015 1.087 -0.003 1 3
SH+ sulfur monohydride cation rHS 1.374   1.372 -0.003 1 2
HNCO Isocyanic acid rC=O 1.164   1.161 -0.003 3 4
ArH+ Argon hydride cation rHAr 1.292 ±0.000 1.290 -0.002 1 2
C6H6 Fulvene rC=C 1.355 ±0.004 1.353 -0.002 3 5
CH3NC methyl isocyanide rCH 1.094   1.092 -0.002 1 4
C5H8 Cyclopentene rCC 1.518   1.516 -0.002 2 4
PO2 Phosphorus dioxide rP=O 1.467   1.465 -0.002 1 2
H2O Water rOH 0.958 ±0.000 0.956 -0.002 1 2
DF Hydrofluoric acid-d rDF 0.917 ±0.000 0.916 -0.002 1 2
CO Carbon monoxide rC#O 1.128 ±0.000 1.127 -0.001 1 2
CH2PH H2CPH rCH 1.090 ±0.015 1.089 -0.001 1 4
HOCl hypochlorous acid rOH 0.964   0.962 -0.001 1 2
CH3CH2CHO Propanal rCH 1.096   1.095 -0.001 1 5
SiO Silicon monoxide rSiO 1.510 ±0.000 1.509 -0.001 1 2
HF Hydrogen fluoride rHF 0.917 ±0.000 0.916 -0.001 1 2
PN Phosphorus mononitride rP#N 1.491   1.490 -0.001 1 2
H2CS Thioformaldehyde rC=S 1.611   1.610 -0.001 1 2
CH2CHCH2CH3 1-Butene rCC 1.536   1.535 -0.001 1 2
BS boron sulfide rBS 1.609   1.609 -0.000 1 2
LiCl lithium chloride rLiCl 2.021 ±0.000 2.020 -0.000 1 2
CF3COOH trifluoroacetic acid rC=O 1.192 ±0.003 1.192 -0.000 2 4
CH2FCl fluorochloromethane rCH 1.090 ±0.010 1.090 -0.000 1 4
BeS beryllium sulfide rBe=S 1.742   1.742 0.000 1 2
DO Hydroxyl-d rDO 0.970   0.970 0.000 1 2
OH Hydroxyl radical rOH 0.970   0.970 0.000 1 2
CH2O2 Dioxirane rCH 1.090 ±0.002 1.091 0.000 1 2
BCl boron monochloride rBCl 1.719 ±0.000 1.720 0.000 1 2
CH2CHCHO Acrolein rCH 1.086 ±0.007 1.087 0.001 3 7
C4H6S Thiophene, 2,5-dihydro- rCH 1.095   1.096 0.001 2 6
C5H8 Bicyclo[2.1.0]pentane rCC 1.565   1.566 0.001 3 4
C2H5F fluoroethane rCH 1.095 ±0.007 1.096 0.001 1 4
CN- cyanide anion rC#N 1.177 ±0.004 1.178 0.001 1 2
CH3NC methyl isocyanide rCN 1.426 ±0.003 1.427 0.001 1 2
NO- nitric oxide anion rN=O 1.258 ±0.010 1.259 0.001 1 2
C6H8 1,4-Cyclohexadiene rCH 1.100   1.101 0.001 1 11
HOBr Hypobromous acid rOH 0.961   0.963 0.002 1 2
BF Boron monofluoride rBF 1.267 ±0.000 1.268 0.002 1 2
N2O3 Dinitrogen trioxide rN=O 1.142   1.144 0.002 1 3
C5H8 Cyclobutane, methylene- rCC 1.524   1.526 0.002 1 3
LiF lithium fluoride rLiF 1.564 ±0.000 1.566 0.002 1 2
C5H10 Cyclopropane, 1,1-dimethyl- rCC 1.514   1.517 0.003 1 4
P2 Phosphorus diatomic rP#P 1.893   1.896 0.003 1 2
B2H6 Diborane rBH 1.320   1.323 0.003 1 3
N2 Nitrogen diatomic rN#N 1.098   1.101 0.003 1 2
AlS Aluminum sulfide rAlS 2.029   2.032 0.003 1 2
CH2CHCHO Acrolein rCH 1.086 ±0.007 1.089 0.003 3 8
CH2NN diazomethane rC=N 1.300   1.303 0.003 1 2
NH Imidogen rNH 1.036   1.039 0.003 1 2
C3H6 Cyclopropane rCH 1.083   1.086 0.003 1 4
CH3CH2CHO Propanal rCC 1.523   1.526 0.003 1 2
CH2CHCHO Acrolein rCH 1.108 ±0.005 1.112 0.004 1 5
CH2NN diazomethane rHC 1.075   1.079 0.004 1 4
BF3 Borane, trifluoro- rBF 1.307   1.311 0.004 1 2
C2H2 Acetylene rCH 1.063   1.067 0.004 1 3
SeO Selenium monoxide rSeO 1.639 ±0.001 1.644 0.004 1 2
C2H5F fluoroethane rCH 1.090 ±0.007 1.094 0.004 2 7
C3H4 cyclopropene rCH 1.088   1.092 0.004 1 6
CH3I methyl iodide rCH 1.084 ±0.003 1.088 0.004 1 3
CH3CH2CHO Propanal rCC 1.509   1.513 0.004 2 3
SiH3Cl chlorosilane rSiH 1.475   1.479 0.005 1 3
D2 Deuterium diatomic rDD 0.742   0.746 0.005 1 2
SiH3F monofluorosilane rSiH 1.476   1.481 0.005 1 3
H2 Hydrogen diatomic rHH 0.741   0.746 0.005 1 2
BeCl beryllium chloride rBeCl 1.797   1.802 0.005 1 2
HD Deuterium hydride rDH 0.741   0.746 0.005 1 2
C2H2 Acetylene rC#C 1.203   1.207 0.005 1 2
CH2CHCHO Acrolein rCH 1.084 ±0.005 1.089 0.005 2 6
C2H5F fluoroethane rCH 1.091 ±0.007 1.096 0.005 2 6
CuF Copper monofluoride rCuF 1.745 ±0.000 1.750 0.005 1 2
CH4 Methane rCH 1.087 ±0.001 1.092 0.005 1 2
C5H7N Cyclobutanecarbonitrile rCC 1.551   1.556 0.005 3 6
HCCCN Cyanoacetylene rCH 1.062 ±0.001 1.068 0.005 4 5
CH3NC methyl isocyanide rC#N 1.166 ±0.003 1.172 0.006 2 3
MgOH magnesium hydroxide rOH 0.940   0.946 0.006 1 3
SO+ sulfur monoxide cation rO=S 1.424   1.430 0.006 1 2
HClO4 perchloric acid rO=Cl 1.414 ±0.001 1.420 0.006 1 2
P2H4 H2PPH2 rPH 1.417   1.423 0.006 1 3
AlCl Aluminum monochloride rAlCl 2.130 ±0.000 2.136 0.006 1 2
C6H6 Fulvene rCH 1.080 ±0.005 1.086 0.006 5 11
CBr4 Carbon tetrabromide rCBr 1.942 ±0.002 1.948 0.006 1 2
SiH4 Silane rSiH 1.480 ±0.000 1.486 0.006 1 2
CH3Br methyl bromide rCH 1.082 ±0.001 1.089 0.007 1 3
HCl+ hydrogen chloride cation rHCl 1.315   1.321 0.007 1 2
S2+ sulfur dimer cation rS=S 1.825 ±0.010 1.832 0.007 1 2
C5H8 Bicyclo[2.1.0]pentane rCC 1.528   1.535 0.007 1 3
P2H4 H2PPH2 rPH 1.414   1.421 0.007 1 4
C6H6 Fulvene rCH 1.078 ±0.005 1.085 0.007 3 9
C3H4 cyclopropene rCH 1.072   1.079 0.007 2 4
CH Methylidyne rCH 1.120   1.127 0.007 1 2
C5H10 Cyclopropane, 1,1-dimethyl- rCH 1.080   1.087 0.007 2 6
MgOH magnesium hydroxide rMgO 1.767   1.775 0.008 1 2
CH3CH2OH Ethanol rCH 1.088   1.096 0.008 1 5
PO- phosphorus monoxide anion rOP 1.540   1.548 0.008 1 2
SiH+ silicon monohydride cation rHSi 1.504   1.512 0.008 1 2
BH3 boron trihydride rBH 1.190   1.198 0.008 1 2
C2 Carbon diatomic rC=C 1.243   1.251 0.008 1 2
C2H3 vinyl rCH 1.085   1.094 0.009 2 4
F2SO Thionyl Fluoride rO=S 1.413 ±0.000 1.422 0.009 1 2
CH3NH2 methyl amine rCH 1.093 ±0.000 1.102 0.009 1 3
CCl2 dichloromethylene rCCl 1.711   1.720 0.009 1 2
Si(CH3)4 tetramethylsilane rSiC 1.875 ±0.002 1.884 0.009 1 2
C3H6 Cyclopropane rCC 1.501   1.510 0.009 1 2
CH3OCl methyl hypochlorite rHC 1.086 ±0.018 1.095 0.009 3 5
C6H6 Fulvene rCC 1.476 ±0.008 1.485 0.009 5 6
OH- hydroxide anion rOH 0.964   0.974 0.010 1 2
NH2CONH2 Urea rNH 0.998   1.008 0.010 4 8
C2H5F fluoroethane rCC 1.505 ±0.007 1.515 0.010 1 2
CH3Br methyl bromide rCBr 1.934 ±0.000 1.945 0.011 1 2
CH2FCl fluorochloromethane rCCl 1.762 ±0.000 1.773 0.011 1 3
CH2Br2 dibromomethane rCBr 1.925 ±0.002 1.936 0.011 1 4
C6H6 Fulvene rCC 1.470 ±0.004 1.482 0.012 1 3
BeF Beryllium monofluoride rBeF 1.361   1.373 0.012 1 2
AlH aluminum monohydride rAlH 1.648   1.660 0.012 1 2
BH Boron monohydride rBH 1.232   1.245 0.013 1 2
SiH2Cl2 dichlorosilane rSiCl 2.033 ±0.003 2.046 0.013 1 4
SiH3Cl chlorosilane rSiCl 2.051   2.064 0.013 1 2
CHBr3 bromoform rCBr 1.924 ±0.005 1.937 0.013 1 3
CH3SeH Methane selenol rHSe 1.473 ±0.020 1.487 0.014 1 3
SO Sulfur monoxide rS=O 1.481   1.495 0.014 1 2
DCl Hydrochloric acid-d rDCl 1.275 ±0.000 1.289 0.014 1 2
HCl Hydrogen chloride rHCl 1.275 ±0.000 1.289 0.014 1 2
SH Mercapto radical rSH 1.341   1.355 0.014 1 2
PH phosphorus monohydride rPH 1.422   1.437 0.014 1 2
OCSe Carbonyl selenide rC=Se 1.709   1.723 0.014 1 3
CH2CHCH2CH3 1-Butene rCC 1.493   1.507 0.014 2 3
SiH Silylidyne rSiH 1.520   1.535 0.015 1 2
DS Mercapto-d rSD 1.341   1.355 0.015 1 2
NaF sodium fluoride rNaF 1.926 ±0.000 1.941 0.015 1 2
SiCl Clorosilylidyne rSiCl 2.061 ±0.000 2.077 0.015 1 2
CH3CH2OH Ethanol rCH 1.086   1.101 0.015 2 8
LiBr Lithium Bromide rLiBr 2.170 ±0.000 2.186 0.015 1 2
SiF silicon monofluoride rSiF 1.604   1.620 0.016 1 2
BeH beryllium monohydride rBeH 1.343   1.358 0.016 1 2
HClO4 perchloric acid rOCl 1.641 ±0.002 1.657 0.016 1 3
CH2CHCHO Acrolein rCC 1.470 ±0.003 1.486 0.016 1 2
CHF2Cl difluorochloromethane rCCl 1.747 ±0.010 1.763 0.016 1 3
PF+ phosphorus monofluoride cation rFP 1.500   1.517 0.017 1 2
HSe Selenium monohydride rHSe 1.475 ±0.010 1.492 0.017 1 2
HBr+ hydrogen bromide cation rHBr 1.448   1.466 0.017 1 2
SiH3F monofluorosilane rSiF 1.595   1.612 0.017 1 2
CCl carbon monochloride rCCl 1.649   1.667 0.018 1 2
SF4 Sulfur tetrafluoride rSF 1.646 ±0.003 1.664 0.018 1 2
SiF2 Silicon difluoride rFSi 1.590 ±0.000 1.608 0.018 1 2
AsH Arsenic monohydride rHAs 1.535 ±0.001 1.553 0.019 1 2
SeS Selenium monosulfide rS=Se 2.037 ±0.001 2.055 0.019 1 2
BrF3 Bromine trifluoride rFBr 1.810 ±0.000 1.829 0.019 1 3
CaF Calcuium monofluoride rFCa 1.967 ±0.001 1.986 0.019 1 2
CaOH Calcium monohydroxide rHO 0.930 ±0.007 0.949 0.019 2 3
S2 Sulfur diatomic rS=S 1.889   1.909 0.020 1 2
C2H Ethynyl radical rCH 1.047   1.066 0.020 1 3
Li2 Lithium diatomic rLiLi 2.673   2.693 0.020 1 2
PF phosphorus monofluoride rPF 1.593   1.613 0.020 1 2
LiH Lithium Hydride rLiH 1.595 ±0.000 1.615 0.020 1 2
GaF Gallium monofluoride rFGa 1.774 ±0.000 1.795 0.020 1 2
CH3I methyl iodide rCI 2.136 ±0.002 2.157 0.021 1 2
AlF Aluminum monofluoride rAlF 1.654 ±0.000 1.676 0.021 1 2
As2 Arsenic diatomic rAs#As 2.103   2.124 0.022 1 2
HOBr Hypobromous acid rBrO 1.834   1.856 0.022 2 3
CaOH Calcium monohydroxide rOCa 1.976 ±0.004 1.998 0.022 1 2
C3H5 Allyl radical rCH 1.069   1.091 0.022 1 2
SF4 Sulfur tetrafluoride rSF 1.545 ±0.003 1.567 0.022 1 4
HBr hydrogen bromide rHBr 1.414 ±0.000 1.437 0.022 1 2
MgCl magnesium monochloride rMgCl 2.199   2.222 0.023 1 2
NaCl Sodium Chloride rNaCl 2.361 ±0.000 2.384 0.023 1 2
B2 Boron diatomic rBB 1.590   1.613 0.023 1 2
F2SO Thionyl Fluoride rFS 1.585 ±0.000 1.610 0.025 1 3
H2Se Hydrogen selenide rHSe 1.460   1.485 0.025 1 2
AlH+ aluminum monohydride cation rHAl 1.602   1.627 0.025 1 2
SF Monosulfur monofluoride rSF 1.599   1.625 0.025 1 2
HOCl hypochlorous acid rClO 1.691   1.716 0.025 1 3
MgS magnesium sulfide rMgS 2.143   2.168 0.026 1 2
AsH3 Arsine rHAs 1.511 ±0.000 1.537 0.026 1 2
MgF Magnesium monofluoride rMgF 1.750   1.776 0.026 1 2
HClO4 perchloric acid rO=Cl 1.404 ±0.001 1.431 0.027 1 4
C5H8 Bicyclo[2.1.0]pentane rCC 1.507   1.534 0.027 1 2
ClO Monochlorine monoxide rClO 1.596 ±0.001 1.624 0.028 1 2
Se2 Selenium diatomic rSe=Se 2.166 ±0.001 2.194 0.028 1 2
AsF Arsenic monofluoride rFAs 1.736 ±0.001 1.765 0.029 1 2
GeCl Germanium monochloride rCl-Ge 2.164 ±0.000 2.193 0.029 1 2
GeH germylidene rHGe 1.588   1.618 0.030 1 2
As4 Arsenic tetramer rAsAs 2.435   2.465 0.030 1 2
MgH magnesium monohydride rMgH 1.730   1.761 0.031 1 2
NaBr Sodium Bromide rNaBr 2.502 ±0.000 2.535 0.033 1 2
AlN Aluminum nitride rN#Al 1.786   1.821 0.034 1 2
PCl phosphorus chloride rPCl 2.018   2.052 0.035 1 2
NaH sodium hydride rNaH 1.887 ±0.000 1.921 0.035 1 2
Cl2+ chlorine diatomic cation rClCl 1.892   1.927 0.036 1 2
BrF3 Bromine trifluoride rFBr 1.721   1.757 0.036 1 2
C2Cl2 dichloroacetylene rCCl 1.612 ±0.030 1.649 0.037 1 3
HI Hydrogen iodide rHI 1.609 ±0.000 1.647 0.038 1 2
KCl Potassium Chloride rKCl 2.667 ±0.000 2.705 0.038 1 2
BrF Bromine monofluoride rFBr 1.759 ±0.000 1.798 0.039 1 2
KH Potassium hydride rHK 2.243 ±0.001 2.282 0.039 1 2
Br2 Bromine diatomic rBrBr 2.281   2.321 0.040 1 2
MgO magnesium oxide rMgO 1.749   1.789 0.040 1 2
ClF Chlorine monofluoride rFCl 1.628 ±0.000 1.669 0.041 1 2
MgH+ magnesium monohydride cation rHMg 1.652   1.693 0.041 1 2
BrCl Bromine monochloride rClBr 2.136 ±0.000 2.178 0.042 1 2
KBr Potassium Bromide rKBr 2.821 ±0.000 2.863 0.043 1 2
NCl nitrogen monochloride rNCl 1.611 ±0.000 1.655 0.045 1 2
AlO Aluminum monoxide rAlO 1.618   1.666 0.048 1 2
GeF Germanium monofluoride rF-Ge 1.745   1.793 0.048 1 2
SCl sulfur monochloride rSCl 1.975   2.024 0.048 1 2
BrO Bromine monoxide rOBr 1.718   1.766 0.048 1 2
CuCl Copper monochloride rCuCl 2.051 ±0.000 2.100 0.049 1 2
NaLi lithium sodium rLiNa 2.889   2.938 0.049 1 2
Cl2 Chlorine diatomic rClCl 1.988   2.037 0.049 1 2
IBr Iodine monobromide rBr-I 2.469 ±0.000 2.518 0.049 1 2
CaCl calcium monochloride rClCa 2.437   2.486 0.050 1 2
CaH Calcium monohydride rHCa 2.003 ±0.000 2.053 0.051 1 2
He2+ helium dimer cation rHeHe 1.081 ±0.001 1.135 0.054 1 2
Cu2 Copper dimer rCuCu 2.220   2.277 0.057 1 2
I2 Iodine diatomic rII 2.665   2.730 0.065 1 2
Na2 Sodium diatomic rNaNa 3.079   3.159 0.080 1 2
292 molecules.