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Average Bond Length Differences by Model Chemistry

Calculated at CCSD(T)/cc-pVDZ

Species Name Bond type Bond Length (Å)
Experimental unc. Calculated Difference atom1 atom2
C4H10O Methyl propyl ether rCC 1.530   1.108 -0.422 5 13
C5H8O Methyl cyclopropyl ketone rCH 1.126   1.102 -0.024 3 7
C2H2O2 Ethanedial rCH 1.132   1.119 -0.013 1 3
LiOH lithium hydroxide rOH 0.969   0.958 -0.011 1 3
C3F6 hexafluoropropene rCF 1.329 ±0.003 1.319 -0.010 1 4
HF+ hydrogen fluoride cation rHF 1.014   1.007 -0.007 1 2
CH3CH2CH2CH3 Butane rCH 1.117   1.110 -0.007 1 5
CH3OCl methyl hypochlorite rCH 1.111 ±0.018 1.105 -0.006 3 4
C4H8O2 Ethyl acetate rCH 1.105   1.101 -0.004 1 7
H2Cl+ dihydrogen monochloride cation rHCl 1.321 ±0.000 1.317 -0.004 1 2
CF3COOH trifluoroacetic acid rCC 1.546 ±0.005 1.543 -0.003 1 2
ArH+ Argon hydride cation rArH 1.292 ±0.000 1.290 -0.002 1 2
CH3OC2H5 Ethane, methoxy- rCO 1.415 ±0.005 1.414 -0.001 1 2
HClO4 perchloric acid rOH 0.980   0.980 0.000 3 6
SiH2Cl2 dichlorosilane rSiH 1.480 ±0.015 1.480 0.000 1 2
C5H8 Ethenylcyclopropane rCH 1.099   1.099 0.000 1 6
HOCl hypochlorous acid rOH 0.973 ±0.002 0.973 0.000 1 2
HeH+ Helium hydride cation rHHe 0.790   0.790 0.000 1 2
HSe Selenium monohydride rSeH 1.475 ±0.010 1.476 0.001 1 2
KrH+ Protonated Krypton rHKr 1.421 ±0.000 1.423 0.002 1 2
CH3CH2CHO Propanal rCH 1.103   1.105 0.002 1 6
CH3NH2 methyl amine rCN 1.471 ±0.003 1.474 0.003 1 2
DF Hydrofluoric acid-d rDF 0.917 ±0.000 0.920 0.003 1 2
NH4+ ammonium cation rHN 1.029 ±0.000 1.032 0.003 1 2
HF Hydrogen fluoride rHF 0.917 ±0.000 0.920 0.003 1 2
AsH Arsenic monohydride rAsH 1.535 ±0.001 1.538 0.004 1 2
C2H2O2 Ethanedial rCC 1.526   1.530 0.004 1 2
He2+ helium diatomic cation rHeHe 1.081 ±0.001 1.085 0.004 1 2
C3H6O 2-Propen-1-ol rCH 1.102 ±0.020 1.106 0.004 1 6
CH2CHCH2CH3 1-Butene rCC 1.536   1.541 0.005 1 2
NH2F monofluoroamine rNF 1.433   1.438 0.005 1 2
B2H6 Diborane rBH 1.200   1.206 0.006 1 5
CH2NH Methanimine rCH 1.103   1.109 0.006 1 3
CH3CH2CHO Propanal rCH 1.105   1.111 0.006 2 8
C3H3NO Oxazole rCO 1.357 ±0.003 1.363 0.006 1 2
CH3CH2CH2CH3 Butane rCC 1.531   1.537 0.006 1 2
HS+ sulfur monohydride cation rSH 1.374   1.380 0.006 1 2
FNO2 Nitryl fluoride rNF 1.467 ±0.015 1.474 0.007 1 2
NaF sodium fluoride rNaF 1.926 ±0.000 1.933 0.007 1 2
C4H8O2 Ethyl acetate rCC 1.515   1.522 0.007 5 6
HBr+ hydrogen bromide cation rHBr 1.448   1.455 0.007 1 2
NO Nitric oxide rN=O 1.154 ±0.000 1.161 0.007 1 2
HNO3 Nitric acid rNO 1.406   1.414 0.008 1 2
HO2 Hydroperoxy radical rOH 0.971   0.978 0.008 1 3
C3H3NO Oxazole rCO 1.370 ±0.002 1.378 0.008 1 5
CH3NH2 methyl amine rNH 1.018 ±0.001 1.026 0.008 2 6
C4H8O2 Ethyl acetate rCC 1.508   1.516 0.008 1 2
O2 Oxygen diatomic rO=O 1.208   1.216 0.009 1 2
H2O Water rOH 0.958 ±0.000 0.966 0.009 1 2
C5H6 Propellane rCC 1.525 ±0.002 1.534 0.009 1 2
CH3CH2CHO Propanal rCC 1.523   1.532 0.009 1 2
C3H6O 2-Propen-1-ol rCH 1.091 ±0.010 1.100 0.009 3 9
CH3CCH propyne rCH 1.096   1.105 0.009 1 5
HSiCl Chlorosilylene rSiH 1.525 ±0.005 1.534 0.009 1 3
CH3CH2CHO Propanal rCH 1.115   1.124 0.009 3 10
CH3CH2CHO Propanal rCH 1.096   1.105 0.009 1 5
O2+ diatomic oxygen cation rOO 1.116   1.126 0.009 1 2
SiH3F monofluorosilane rSiH 1.476   1.485 0.009 1 3
C3H6O 2-Propen-1-ol rCH 1.092 ±0.010 1.101 0.009 2 7
CH2PH Phosphaethene rCH 1.090 ±0.015 1.100 0.010 1 3
OCSe Carbonyl selenide rC=O 1.159   1.168 0.010 1 2
FNO2 Nitryl fluoride rN=O 1.180 ±0.005 1.190 0.010 1 3
HBr hydrogen bromide rHBr 1.414 ±0.000 1.424 0.010 1 2
CH2CO Ketene rCH 1.083   1.092 0.010 1 4
DO Hydroxyl-d rDO 0.970   0.980 0.010 1 2
H2Se Hydrogen selenide rSeH 1.460   1.470 0.010 1 2
OH Hydroxyl radical rOH 0.970   0.980 0.010 1 2
HCCl Chloromethylene rCH 1.119 ±0.036 1.129 0.010 1 3
CH3CHO Acetaldehyde rCH 1.114   1.124 0.010 1 4
CH3NO nitrosomethane rCH 1.094   1.104 0.010 1 4
CH2F2 Methane, difluoro- rCF 1.351 ±0.001 1.361 0.010 1 4
CH2 Methylene rCH 1.085   1.096 0.011 1 2
CH2PH Phosphaethene rCH 1.090 ±0.015 1.101 0.011 1 4
CHF3 Methane, trifluoro- rCH 1.091 ±0.014 1.102 0.011 1 2
NH3BF3 Amminetrifluoroboron rBN 1.673   1.684 0.011 1 2
SiH3Cl chlorosilane rSiH 1.475   1.486 0.011 1 3
HO2 Hydroperoxy radical rOO 1.331   1.341 0.011 1 2
SiH4 Silane rSiH 1.480 ±0.000 1.491 0.011 1 2
NH2SH Thiohydroxylamine rSH 1.344 ±0.029 1.355 0.011 2 3
H2CSe Selenoformaldehyde rHC 1.090   1.102 0.011 1 3
C4H8O2 Ethyl acetate rC=O 1.203   1.215 0.012 2 4
CH3CH2CHO Propanal rCC 1.509   1.521 0.012 2 3
CH3CHFCH3 2-Fluoropropane rCH 1.093 ±0.006 1.105 0.012 4 8
CH3OC2H5 Ethane, methoxy- rCO 1.407 ±0.004 1.419 0.012 2 3
CH3CHFCH3 2-Fluoropropane rCH 1.094 ±0.005 1.106 0.012 4 10
CHF3 Methane, trifluoro- rCF 1.328 ±0.003 1.341 0.012 1 3
NF nitrogen fluoride rNF 1.317   1.329 0.012 1 2
C2H2ClF 1-chloro-1-fluoroethylene rCH 1.082 ±0.001 1.094 0.013 2 5
CO+ carbon monoxide cation rC=O 1.115 ±0.000 1.128 0.013 1 2
BeH2 beryllium dihydride rBeH 1.326 ±0.000 1.339 0.013 1 2
HOBr Hypobromous acid rOH 0.961   0.974 0.013 1 2
C5H8O Methyl cyclopropyl ketone rCC 1.510   1.523 0.013 2 3
COBr2 Carbonic dibromide rC=O 1.172 ±0.003 1.185 0.013 1 2
CH3OC2H5 Ethane, methoxy- rCH 1.092 ±0.007 1.105 0.013 4 11
NO+ nitric oxide cation rN=O 1.066   1.079 0.013 1 2
CH3NO nitrosomethane rCH 1.092   1.105 0.013 1 5
C4H8 cyclobutane rCH 1.093   1.107 0.013 1 5
HCl+ hydrogen chloride cation rHCl 1.315   1.328 0.013 1 2
C3H6 Cyclopropane rCH 1.083   1.097 0.014 1 4
AsH3 Arsine rAsH 1.511 ±0.000 1.525 0.014 1 2
ScH Scandium monohydride rScH 1.775 ±0.000 1.789 0.014 1 2
CH3OC2H5 Ethane, methoxy- rCH 1.099 ±0.007 1.113 0.014 1 6
CH2NN diazomethane rC=N 1.300   1.314 0.014 1 2
CH3CHClCH3 Propane, 2-chloro- rCH 1.091   1.105 0.014 2 5
C4H8 cyclobutane rCH 1.091   1.105 0.014 1 6
B2H6 Diborane rBH 1.320   1.334 0.014 1 3
CH2CO Ketene rC=O 1.162   1.176 0.014 2 3
GeH germylidene rGeH 1.588   1.602 0.014 1 2
AlH aluminum monohydride rAlH 1.648   1.662 0.014 1 2
MgH magnesium monohydride rMgH 1.730   1.744 0.014 1 2
CH2Cl2 Methylene chloride rCH 1.085 ±0.002 1.099 0.014 1 2
CF3COOH trifluoroacetic acid rC=O 1.192 ±0.003 1.207 0.015 2 4
C5H8 Ethenylcyclopropane rCC 1.475   1.490 0.015 1 2
CH3OC2H5 Ethane, methoxy- rCH 1.100 ±0.003 1.115 0.015 3 8
BO boron monoxide rB=O 1.205   1.220 0.015 1 2
SiH2F2 difluorosilane rSiH 1.462   1.477 0.015 1 4
CH2NN diazomethane rCH 1.075   1.090 0.015 1 4
CH2CHF Ethene, fluoro- rCH 1.082   1.097 0.015 1 4
C2H Ethynyl radical rC#C 1.217   1.232 0.015 1 2
C4H8O2 Ethyl acetate rCO 1.345   1.360 0.015 2 3
N3 azide radical rNN 1.181   1.197 0.015 1 2
CH3CHClCH3 Propane, 2-chloro- rCH 1.092   1.108 0.016 3 6
C3H4 cyclopropene rCH 1.088   1.104 0.016 1 6
DCl Hydrochloric acid-d rDCl 1.275 ±0.000 1.290 0.016 1 2
HCl Hydrogen chloride rHCl 1.275 ±0.000 1.290 0.016 1 2
C3H3NO Oxazole rCH 1.075 ±0.001 1.091 0.016 4 7
C3F6 hexafluoropropene rC=C 1.329 ±0.003 1.345 0.016 1 2
C2H2 Acetylene rCH 1.063   1.079 0.016 1 3
C3H3NO Oxazole rCH 1.073 ±0.001 1.089 0.016 5 8
C3H3NO Oxazole rCH 1.075 ±0.001 1.091 0.016 2 6
CF Fluoromethylidyne rCF 1.276   1.292 0.016 1 2
BeH beryllium monohydride rBeH 1.343   1.359 0.016 1 2
SiH3+ Silyl cation rSiH 1.460 ±0.010 1.476 0.016 1 2
CO Carbon monoxide rC#O 1.128 ±0.000 1.145 0.016 1 2
CH4 Methane rCH 1.087 ±0.001 1.104 0.017 1 2
C3H6O 2-Propen-1-ol rCH 1.096 ±0.030 1.113 0.017 1 5
SiH+ silicon monohydride cation rSiH 1.504   1.521 0.017 1 2
CH3CHO Acetaldehyde rCH 1.086   1.103 0.017 2 5
CH3OC2H5 Ethane, methoxy- rCH 1.089 ±0.008 1.106 0.017 4 10
H2CSe Selenoformaldehyde rC=Se 1.753   1.770 0.017 1 2
CH3CHFCH3 2-Fluoropropane rCH 1.092   1.109 0.017 1 3
CH2NN diazomethane rN=N 1.139   1.156 0.017 2 3
CH3OC2H5 Ethane, methoxy- rCH 1.086 ±0.010 1.104 0.018 1 5
HS Mercapto radical rSH 1.341   1.359 0.018 1 2
CH3CHFCH3 2-Fluoropropane rCH 1.088 ±0.006 1.106 0.018 4 6
DS Mercapto-d rSD 1.341   1.359 0.018 1 2
CH3Br methyl bromide rCH 1.082 ±0.001 1.101 0.018 1 3
C2H2+ acetylene cation rCH 1.077 ±0.005 1.095 0.018 1 3
CH3Br methyl bromide rCBr 1.934 ±0.000 1.953 0.019 1 2
BH3 boron trihydride rBH 1.190   1.209 0.019 1 2
CH2CHF Ethene, fluoro- rCH 1.077   1.096 0.019 2 5
CH3CCH propyne rCH 1.060   1.079 0.019 3 4
GeH3F monofluorogermane rGeH 1.515 ±0.000 1.534 0.019 1 3
CH3CSNH2 Ethanethioamide rC=S 1.647 ±0.002 1.666 0.019 1 2
C3H4 cyclopropene rCH 1.072   1.091 0.019 2 4
CBr4 Carbon tetrabromide rCBr 1.942 ±0.002 1.961 0.019 1 2
D2 Deuterium diatomic rDD 0.742   0.761 0.019 1 2
AsF5 Arsenic pentafluoride rAsF 1.711 ±0.005 1.730 0.019 1 5
HD Deuterium hydride rDH 0.741   0.761 0.019 1 2
FO Oxygen monofluoride rFO 1.354   1.374 0.020 1 2
H2 Hydrogen diatomic rHH 0.741   0.761 0.020 1 2
C3H6O 2-Propen-1-ol rCH 1.078 ±0.010 1.098 0.020 3 8
C3H6 Cyclopropane rCC 1.501   1.521 0.020 1 2
NH Imidogen rNH 1.036   1.056 0.020 1 2
C2H3 vinyl rCH 1.085   1.105 0.020 2 4
CH2CHCH2CH3 1-Butene rCC 1.493   1.513 0.020 2 3
LiOH lithium hydroxide rLiO 1.582   1.602 0.020 1 2
SiH Silylidyne rSiH 1.520   1.540 0.020 1 2
CH3NH2 methyl amine rCH 1.093 ±0.000 1.113 0.020 1 3
C2H2+ acetylene cation rC=C 1.253 ±0.001 1.273 0.020 1 2
SCSe Carbon sulfide selenide rC=Se 1.695 ±0.002 1.716 0.021 1 3
CH3CH2O Ethoxy radical rCH 1.085   1.106 0.021 1 5
CH2Cl2 Methylene chloride rCCl 1.767 ±0.002 1.788 0.021 1 4
CBrClF2 Methane, bromochlorodifluoro- rCBr 1.932 ±0.004 1.953 0.021 1 2
HNCNH diiminomethane rC=N 1.224 ±0.001 1.245 0.021 1 2
BF3 Borane, trifluoro- rBF 1.307   1.328 0.021 1 2
CH3CH2O Ethoxy radical rCH 1.086   1.107 0.021 1 4
CH3OCl methyl hypochlorite rCH 1.086 ±0.018 1.107 0.021 3 5
BN boron nitride rB=N 1.325   1.346 0.021 1 2
CH2F2 Methane, difluoro- rCH 1.084 ±0.003 1.105 0.021 1 2
CSe2 Carbon diselenide rC=Se 1.692 ±0.000 1.713 0.021 1 2
N2 Nitrogen diatomic rN#N 1.098   1.119 0.021 1 2
CH2Br2 dibromomethane rCBr 1.925 ±0.002 1.946 0.021 1 4
OCSe Carbonyl selenide rC=Se 1.709   1.730 0.021 1 3
PH phosphorus monohydride rPH 1.422   1.444 0.022 1 2
LiNH2 lithium amide rLiN 1.736 ±0.003 1.758 0.022 1 2
GaF Gallium monofluoride rFGa 1.774 ±0.000 1.796 0.022 1 2
OH- hydroxide anion rOH 0.964   0.987 0.023 1 2
CN- cyanide anion rC#N 1.177 ±0.004 1.200 0.023 1 2
C5H6 Propellane rCC 1.596 ±0.005 1.619 0.023 2 5
HS- mercapto anion rSH 1.343   1.367 0.023 1 2
BH Boron monohydride rBH 1.232   1.256 0.023 1 2
CH Methylidyne rCH 1.120   1.144 0.024 1 2
LiH Lithium Hydride rLiH 1.595 ±0.000 1.619 0.024 1 2
BeCl beryllium monochloride rBeCl 1.797   1.821 0.024 1 2
MgH+ magnesium monohydride cation rMgH 1.652   1.676 0.024 1 2
C4H6 Bicyclo[1.1.0]butane rCC 1.497   1.522 0.025 1 2
H2CS Thioformaldehyde rC=S 1.611   1.635 0.025 1 2
SCSe Carbon sulfide selenide rC=S 1.553 ±0.002 1.578 0.025 1 2
C2H2 Acetylene rC#C 1.203   1.229 0.026 1 2
LiF lithium fluoride rLiF 1.564 ±0.000 1.590 0.026 1 2
BCl boron monochloride rBCl 1.719 ±0.000 1.746 0.026 1 2
C2H6O2S Dimethyl sulfone rCS 1.777 ±0.006 1.804 0.027 1 4
TiCl Titanium Monochloride rClTi 2.265 ±0.000 2.292 0.028 1 2
C2 Carbon diatomic rC=C 1.243   1.271 0.028 1 2
GeBr4 Germanium tetrabromide rGeBr 2.272 ±0.001 2.300 0.028 1 2
CSe Carbon monoselenide rC=Se 1.676 ±0.000 1.705 0.028 1 2
NS+ nitrogen sulfide cation rNS 1.440   1.469 0.029 1 2
BF Boron monofluoride rBF 1.267 ±0.000 1.295 0.029 1 2
CH3CH2O Ethoxy radical rCH 1.088   1.117 0.029 2 7
C3O2 Carbon suboxide rC=O 1.146   1.175 0.029 2 4
HCCl Chloromethylene rCCl 1.696 ±0.003 1.726 0.030 1 2
SiC silicon monocarbide rCSi 1.722   1.753 0.031 1 2
C3H5 Allyl radical rCH 1.069   1.101 0.032 1 2
CS carbon monosulfide rC#S 1.535   1.567 0.032 1 2
GeH3F monofluorogermane rGeF 1.731 ±0.000 1.763 0.033 1 2
Se2 Selenium diatomic rSe=Se 2.166 ±0.001 2.199 0.033 1 2
C2H Ethynyl radical rCH 1.047   1.080 0.033 1 3
NSe Nitrogen monoselenide rN=Se 1.652   1.685 0.033 1 2
GeO Germanium monoxide rOGe 1.625   1.658 0.034 1 2
GeF Germanium monofluoride rFGe 1.745   1.779 0.034 1 2
PN Phosphorus mononitride rP#N 1.491   1.524 0.034 1 2
SeO2 Selenium dioxide rSeO 1.607 ±0.001 1.641 0.034 1 2
SiP Silicon monophosphide rSiP 2.078 ±0.002 2.112 0.035 1 2
SOCl2 thionyl chloride rS=O 1.443 ±0.006 1.478 0.035 1 2
BeS beryllium sulfide rBe=S 1.742   1.777 0.036 1 2
GeS Germanium monosulfide rS=Ge 2.012 ±0.000 2.048 0.036 1 2
AsF3 Arsenic trifluoride rAsF 1.706 ±0.002 1.743 0.037 1 2
NaH sodium hydride rNaH 1.887 ±0.000 1.924 0.037 1 2
As4 Arsenic tetramer rAsAs 2.435   2.472 0.037 1 2
B2 Boron diatomic rBB 1.590   1.628 0.038 1 2
As2 Arsenic diatomic rAs#As 2.103   2.140 0.038 1 2
GaBr Gallium monobromide rGaBr 2.352 ±0.000 2.390 0.038 1 2
SeCl2 Selenium Dichloride rClSe 2.157 ±0.003 2.195 0.038 1 2
BeO beryllium oxide rBe=O 1.331   1.369 0.038 1 2
C5H8O Cyclopentanone rCC 1.504   1.542 0.038 2 3
SeO Selenium monoxide rSeO 1.639 ±0.001 1.678 0.039 1 2
LiO lithium oxide rLiO 1.688   1.727 0.039 1 2
GeCl Germanium monochloride rClGe 2.164 ±0.000 2.204 0.040 1 2
SF4 Sulfur tetrafluoride rSF 1.646 ±0.003 1.687 0.041 1 2
SiH3Cl chlorosilane rSiCl 2.051   2.091 0.041 1 2
AsF Arsenic monofluoride rFAs 1.736 ±0.001 1.777 0.041 1 2
NaCl Sodium Chloride rNaCl 2.361 ±0.000 2.403 0.042 1 2
NS Mononitrogen monosulfide rNS 1.497 ±0.000 1.539 0.042 1 2
SiS silicon monosulfide rSiS 1.929 ±0.000 1.972 0.042 1 2
C3O2 Carbon suboxide rC=C 1.251   1.294 0.043 1 2
MgS magnesium sulfide rMgS 2.143   2.186 0.043 1 2
PF5 Phosphorus pentafluoride rFP 1.577   1.621 0.044 1 5
P2 Phosphorus diatomic rP#P 1.893   1.937 0.044 1 2
SiH2Cl2 dichlorosilane rSiCl 2.033 ±0.003 2.077 0.044 1 4
GeF+ Germanium monofluoride cation rFGe 1.665 ±0.000 1.710 0.044 1 2
F2SO Thionyl Fluoride rO=S 1.413 ±0.000 1.458 0.046 1 2
SiO Silicon monoxide rSiO 1.510 ±0.000 1.556 0.046 1 2
F2 Fluorine diatomic rFF 1.412   1.458 0.046 1 2
S2+ sulfur diatomic cation rS=S 1.825 ±0.010 1.872 0.047 1 2
PS phosphorus sulfide rP=S 1.900   1.948 0.048 1 2
AlC Aluminum carbide rC=Al 1.955   2.003 0.048 1 2
SOF4 Sulfur tetrafluoride oxide rFS 1.596 ±0.003 1.645 0.049 1 3
AlNC Aluminum isocyanide rAlN 1.855 ±0.005 1.904 0.049 1 2
S2 Sulfur diatomic rS=S 1.889   1.939 0.050 1 2
HClO4 perchloric acid rO=Cl 1.414 ±0.001 1.464 0.050 1 2
Si2 Silicon diatomic rSiSi 2.246   2.296 0.050 1 2
NaBr Sodium Bromide rNaBr 2.502 ±0.000 2.552 0.050 1 2
HSiCl Chlorosilylene rSiCl 2.067 ±0.003 2.118 0.051 1 2
SiCl Clorosilylidyne rSiCl 2.061 ±0.000 2.113 0.052 1 2
HOBr Hypobromous acid rBrO 1.834   1.886 0.052 2 3
BeF Beryllium monofluoride rBeF 1.361   1.413 0.052 1 2
CaH Calcium monohydride rCaH 2.003 ±0.000 2.054 0.052 1 2
C2H6O2S Dimethyl sulfone rS=O 1.431 ±0.004 1.483 0.052 1 2
AsF5 Arsenic pentafluoride rAsF 1.656 ±0.004 1.708 0.052 1 2
AlCl Aluminum monochloride rAlCl 2.130 ±0.000 2.183 0.052 1 2
HOCl hypochlorous acid rClO 1.697 ±0.001 1.750 0.053 1 3
ClO Monochlorine monoxide rClO 1.596 ±0.001 1.650 0.054 1 2
SO Sulfur monoxide rS=O 1.481   1.535 0.054 1 2
HSSSH trisulfane rSS 2.054 ±0.000 2.108 0.054 1 2
PF5 Phosphorus pentafluoride rPF 1.534   1.589 0.055 1 2
ClOF3 Chlorine trifluoride oxide rFCl 1.713 ±0.003 1.768 0.055 1 4
Li2 Lithium diatomic rLiLi 2.673   2.728 0.055 1 2
AlF Aluminum monofluoride rAlF 1.654 ±0.000 1.710 0.056 1 2
SSO Disulfur monoxide rS=O 1.456   1.513 0.057 1 2
GaAs Gallium arsenide rGa#As 2.530 ±0.020 2.587 0.057 1 2
SF Monosulfur monofluoride rSF 1.599   1.658 0.059 1 2
BrF Bromine monofluoride rFBr 1.759 ±0.000 1.818 0.059 1 2
SiH3F monofluorosilane rSiF 1.595   1.654 0.059 1 2
AlN Aluminum nitride rN#Al 1.786   1.846 0.060 1 2
CFCl chlorofluoromethylene rCCl 1.714   1.774 0.060 1 3
Br2 Bromine diatomic rBrBr 2.281   2.341 0.060 1 2
SCl2 Sulfur dichloride rSCl 2.013 ±0.001 2.073 0.060 1 2
PF2 Phosphorus difluoride rPF 1.579   1.640 0.061 1 2
LiBr Lithium Bromide rLiBr 2.170 ±0.000 2.232 0.061 1 2
SF4 Sulfur tetrafluoride rSF 1.545 ±0.003 1.606 0.061 1 4
PO- phosphorus monoxide anion rOP 1.540   1.602 0.062 1 2
BrCl Bromine monochloride rClBr 2.136 ±0.000 2.199 0.063 1 2
LiCl lithium chloride rLiCl 2.021 ±0.000 2.084 0.063 1 2
SCl sulfur monochloride rSCl 1.975   2.039 0.064 1 2
SSO Disulfur monoxide rS=S 1.884   1.948 0.064 2 3
SOF4 Sulfur tetrafluoride oxide rFS 1.539 ±0.003 1.603 0.064 1 5
SiF silicon monofluoride rSiF 1.604   1.670 0.065 1 2
SiF2 Silicon difluoride rFSi 1.590 ±0.000 1.656 0.066 1 2
F2SO Thionyl Fluoride rFS 1.585 ±0.000 1.652 0.066 1 3
Cl2 Chlorine diatomic rClCl 1.988   2.055 0.067 1 2
ClF Chlorine monofluoride rFCl 1.628 ±0.000 1.695 0.067 1 2
PF+ phosphorus monofluoride cation rFP 1.500   1.569 0.069 1 2
HClO4 perchloric acid rO=Cl 1.404 ±0.001 1.474 0.070 1 4
C4H8O2 Ethyl acetate rCO 1.448   1.522 0.074 5 6
BrO Bromine monoxide rOBr 1.718   1.793 0.076 1 2
NaLi lithium sodium rLiNa 2.889   2.968 0.079 1 2
HClO4 perchloric acid rOCl 1.641 ±0.002 1.723 0.082 1 3
ClOF3 Chlorine trifluoride oxide rFCl 1.603 ±0.004 1.715 0.112 1 3
CaO Calcium monoxide rOCa 1.822   1.968 0.146 1 2
Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- rAlCl 2.040 ±0.040 2.314 0.274 1 3
C4H10O Methyl propyl ether rCH 1.099   1.414 0.315 1 2
312 molecules.