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Release 22May 2022
NIST Standard Reference Database 101
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IV.D.8.

Average Bond Length Differences by Model Chemistry

Calculated at MP4/6-311G**

Species Name Bond type Bond Length (Å)
Experimental unc. Calculated Difference atom1 atom2
C4H10O Methyl propyl ether rCC 1.530   1.098 -0.432 5 13
SiP Silicon monophosphide rSiP 2.078 ±0.002 2.008 -0.069 1 2
CuH Copper monohydride rCuH 1.463   1.418 -0.045 1 2
ScH Scandium monohydride rScH 1.775 ±0.000 1.736 -0.039 1 2
C5H8O Methyl cyclopropyl ketone rCH 1.126   1.094 -0.032 3 7
C2H Ethynyl radical rC#C 1.217   1.188 -0.029 1 2
CrH Chromium hydride rHCr 1.655 ±0.001 1.634 -0.021 1 2
HF+ hydrogen fluoride cation rHF 1.014   0.994 -0.020 1 2
TiCl Titanium Monochloride rClTi 2.265 ±0.000 2.246 -0.019 1 2
H2Cl+ dihydrogen monochloride cation rHCl 1.321 ±0.000 1.302 -0.018 1 2
LiOH lithium hydroxide rOH 0.969   0.951 -0.018 1 3
SiC silicon monocarbide rCSi 1.722   1.704 -0.017 1 2
Si(CH3)4 tetramethylsilane rCH 1.115 ±7.000 1.098 -0.017 2 6
CH3OCl methyl hypochlorite rCH 1.111 ±0.018 1.095 -0.016 3 4
CH3CH2CH2CH3 Butane rCH 1.117   1.101 -0.016 1 5
SiH2Cl2 dichlorosilane rSiH 1.480 ±0.015 1.464 -0.016 1 2
ArH+ Argon hydride cation rArH 1.292 ±0.000 1.278 -0.014 1 2
NO Nitric oxide rN=O 1.154 ±0.000 1.140 -0.014 1 2
CO+ carbon monoxide cation rC=O 1.115 ±0.000 1.101 -0.014 1 2
FO Oxygen monofluoride rFO 1.354   1.341 -0.013 1 2
HS+ sulfur monohydride cation rSH 1.374   1.362 -0.013 1 2
C3F6 hexafluoropropene rCF 1.329 ±0.003 1.316 -0.013 1 4
C4H8O2 Ethyl acetate rCH 1.105   1.092 -0.013 1 7
B2H6 Diborane rBH 1.200   1.191 -0.009 1 5
C5H8 Ethenylcyclopropane rCH 1.099   1.090 -0.009 1 6
HClO4 perchloric acid rOH 0.980   0.972 -0.008 3 6
HOCl hypochlorous acid rOH 0.973 ±0.002 0.965 -0.008 1 2
CH3CH2CHO Propanal rCH 1.103   1.095 -0.008 1 6
HSe Selenium monohydride rSeH 1.475 ±0.010 1.468 -0.007 1 2
NH2F monofluoroamine rNF 1.433   1.426 -0.007 1 2
HO2 Hydroperoxy radical rOO 1.331   1.324 -0.006 1 2
PO Phosphorus monoxide rP=O 1.476   1.470 -0.006 1 2
C3H6O 2-Propen-1-ol rCH 1.102 ±0.020 1.097 -0.005 1 6
CHF2Cl difluorochloromethane rCF 1.350 ±0.010 1.345 -0.005 1 4
SiH3Cl chlorosilane rSiH 1.475   1.470 -0.005 1 3
CH2NH Methanimine rCH 1.103   1.098 -0.005 1 3
CH2FCl fluorochloromethane rCF 1.370 ±0.001 1.366 -0.004 1 2
NH2SH Thiohydroxylamine rSH 1.344 ±0.029 1.340 -0.004 2 3
DF Hydrofluoric acid-d rDF 0.917 ±0.000 0.913 -0.004 1 2
SiH+ silicon monohydride cation rSiH 1.504   1.500 -0.004 1 2
HF Hydrogen fluoride rHF 0.917 ±0.000 0.913 -0.004 1 2
AsH Arsenic monohydride rAsH 1.535 ±0.001 1.531 -0.004 1 2
SiH4 Silane rSiH 1.480 ±0.000 1.476 -0.004 1 2
CH3CH2CHO Propanal rCH 1.105   1.102 -0.003 2 8
C2H5F fluoroethane rCF 1.398 ±0.007 1.395 -0.003 1 3
HCl+ hydrogen chloride cation rHCl 1.315   1.312 -0.003 1 2
CH2 Methylene rCH 1.085   1.082 -0.003 1 2
HCCl Chloromethylene rCH 1.119 ±0.036 1.116 -0.003 1 3
NH4+ ammonium cation rHN 1.029 ±0.000 1.026 -0.003 1 2
HBr+ hydrogen bromide cation rHBr 1.448   1.447 -0.002 1 2
HeH+ Helium hydride cation rHHe 0.790   0.788 -0.002 1 2
CF3COOH trifluoroacetic acid rCC 1.546 ±0.005 1.544 -0.002 1 2
BN boron nitride rB=N 1.325   1.323 -0.002 1 2
CH2PH Phosphaethene rCH 1.090 ±0.015 1.089 -0.001 1 3
C10H8 Azulene rC:C 1.414   1.413 -0.001 7 9
C3H6O 2-Propen-1-ol rCH 1.091 ±0.010 1.090 -0.001 3 9
CH3NH2 methyl amine rNH 1.018 ±0.001 1.017 -0.001 2 6
LiOH lithium hydroxide rLiO 1.582   1.581 -0.001 1 2
CH3OC2H5 Ethane, methoxy- rCO 1.415 ±0.005 1.414 -0.001 1 2
HO2 Hydroperoxy radical rOH 0.971   0.970 0.000 1 3
C3H6O 2-Propen-1-ol rCH 1.092 ±0.010 1.092 0.000 2 7
CH2CO Ketene rCH 1.083   1.082 0.000 1 4
SiH3+ Silyl cation rSiH 1.460 ±0.010 1.460 0.000 1 2
CH3CH2CHO Propanal rCH 1.096   1.096 0.000 1 5
KrH+ Protonated Krypton rHKr 1.421 ±0.000 1.421 0.000 1 2
CH2PH Phosphaethene rCH 1.090 ±0.015 1.090 0.000 1 4
OH Hydroxyl radical rOH 0.970   0.970 0.000 1 2
CH3CCH propyne rCH 1.096   1.096 0.000 1 5
H2 Hydrogen diatomic rHH 0.741   0.742 0.001 1 2
B2H6 Diborane rBH 1.320   1.321 0.001 1 3
CH3CH2CHO Propanal rCH 1.115   1.116 0.001 3 10
CH3NH2 methyl amine rCN 1.471 ±0.003 1.472 0.001 1 2
N2O3 Dinitrogen trioxide rN=O 1.217   1.218 0.001 2 5
BeH beryllium monohydride rBeH 1.343   1.344 0.001 1 2
LiNH2 lithium amide rLiN 1.736 ±0.003 1.737 0.001 1 2
H2O Water rOH 0.958 ±0.000 0.959 0.001 1 2
CH3CHO Acetaldehyde rCH 1.114   1.115 0.001 1 4
CH2FCl fluorochloromethane rCH 1.090 ±0.010 1.091 0.001 1 4
SiH2F2 difluorosilane rSiH 1.462   1.463 0.001 1 4
HBr hydrogen bromide rHBr 1.414 ±0.000 1.416 0.002 1 2
LiCl lithium chloride rLiCl 2.021 ±0.000 2.022 0.002 1 2
CH3NO nitrosomethane rCH 1.094   1.096 0.002 1 4
SiH Silylidyne rSiH 1.520   1.522 0.002 1 2
HS Mercapto radical rSH 1.341   1.343 0.002 1 2
HCl Hydrogen chloride rHCl 1.275 ±0.000 1.276 0.002 1 2
PH phosphorus monohydride rPH 1.422   1.424 0.002 1 2
C2H5F fluoroethane rCH 1.095 ±0.007 1.097 0.002 1 4
LiH Lithium Hydride rLiH 1.595 ±0.000 1.597 0.002 1 2
CH3CHFCH3 2-Fluoropropane rCH 1.093 ±0.006 1.096 0.003 4 8
C2H2ClF 1-chloro-1-fluoroethylene rCH 1.082 ±0.001 1.085 0.003 2 5
CH3CHFCH3 2-Fluoropropane rCH 1.094 ±0.005 1.097 0.003 4 10
CH2CHCH2CH3 1-Butene rCC 1.536   1.539 0.003 1 2
CH3CH2CH2CH3 Butane rCC 1.531   1.534 0.003 1 2
H2Se Hydrogen selenide rSeH 1.460   1.463 0.003 1 2
C3H8 Propane rCH 1.096   1.099 0.003 1 4
BeH2 beryllium dihydride rBeH 1.326 ±0.000 1.330 0.004 1 2
BH3 boron trihydride rBH 1.190   1.194 0.004 1 2
CH3OC2H5 Ethane, methoxy- rCH 1.092 ±0.007 1.096 0.004 4 11
C3H6 Cyclopropane rCH 1.083   1.087 0.004 1 4
CH2Cl2 Methylene chloride rCH 1.085 ±0.002 1.089 0.004 1 2
C2H2 Acetylene rCH 1.063   1.067 0.004 1 3
HS- mercapto anion rSH 1.343   1.347 0.004 1 2
C5H6 Propellane rCC 1.525 ±0.002 1.529 0.004 1 2
CH3OC2H5 Ethane, methoxy- rCH 1.099 ±0.007 1.103 0.004 1 6
CH3CHClCH3 Propane, 2-chloro- rCH 1.091   1.095 0.004 2 5
C4H8 cyclobutane rCH 1.093   1.098 0.004 1 5
MgH magnesium monohydride rMgH 1.730   1.734 0.004 1 2
CH3NO nitrosomethane rCH 1.092   1.096 0.004 1 5
KH Potassium hydride rKH 2.243 ±0.001 2.247 0.005 1 2
C4H8O2 Ethyl acetate rCC 1.515   1.520 0.005 5 6
HOBr Hypobromous acid rOH 0.961   0.966 0.005 1 2
C3H3NO Oxazole rCO 1.370 ±0.002 1.375 0.005 1 5
C4H8 cyclobutane rCH 1.091   1.096 0.005 1 6
CH2NN diazomethane rCH 1.075   1.080 0.005 1 4
CH3OC2H5 Ethane, methoxy- rCH 1.100 ±0.003 1.105 0.005 3 8
C3H4 cyclopropene rCH 1.088   1.093 0.005 1 6
C2H5F fluoroethane rCH 1.090 ±0.007 1.095 0.005 2 7
N3 azide radical rNN 1.181   1.187 0.006 1 2
C2H2+ acetylene cation rCH 1.077 ±0.005 1.083 0.006 1 3
C3H3NO Oxazole rCO 1.357 ±0.003 1.363 0.006 1 2
C2H5F fluoroethane rCH 1.091 ±0.007 1.097 0.006 2 6
CH3CHClCH3 Propane, 2-chloro- rCH 1.092   1.098 0.006 3 6
CH3CH2CHO Propanal rCC 1.523   1.529 0.006 1 2
C3H3NO Oxazole rCH 1.073 ±0.001 1.080 0.007 5 8
C3H3NO Oxazole rCH 1.075 ±0.001 1.082 0.007 4 7
CH3CCH propyne rCH 1.060   1.067 0.007 3 4
CH4 Methane rCH 1.087 ±0.001 1.094 0.007 1 2
CH3CSNH2 Ethanethioamide rC=S 1.647 ±0.002 1.654 0.007 1 2
CH3CHFCH3 2-Fluoropropane rCH 1.092   1.099 0.007 1 3
BH Boron monohydride rBH 1.232   1.239 0.007 1 2
AsH3 Arsine rAsH 1.511 ±0.000 1.518 0.007 1 2
C3H6O 2-Propen-1-ol rCH 1.096 ±0.030 1.103 0.007 1 5
C3H3NO Oxazole rCH 1.075 ±0.001 1.082 0.007 2 6
C4H8O2 Ethyl acetate rCC 1.508   1.515 0.007 1 2
CF Fluoromethylidyne rCF 1.276   1.283 0.007 1 2
C10H8 Azulene rCH 1.084   1.091 0.007 4 14
C10H8 Azulene rCH 1.080   1.087 0.007 9 17
CH3CHO Acetaldehyde rCH 1.086   1.094 0.008 2 5
OH- hydroxide anion rOH 0.964   0.972 0.008 1 2
CH3OC2H5 Ethane, methoxy- rCH 1.086 ±0.010 1.094 0.008 1 5
AlCl Aluminum monochloride rAlCl 2.130 ±0.000 2.138 0.008 1 2
LiF lithium fluoride rLiF 1.564 ±0.000 1.572 0.008 1 2
CH3OC2H5 Ethane, methoxy- rCH 1.089 ±0.008 1.097 0.008 4 10
C3H4 cyclopropene rCH 1.072   1.080 0.008 2 4
CH3Br methyl bromide rCH 1.082 ±0.001 1.091 0.008 1 3
C5H8 Ethenylcyclopropane rCC 1.475   1.483 0.008 1 2
BF Boron monofluoride rBF 1.267 ±0.000 1.275 0.008 1 2
C2H2+ acetylene cation rC=C 1.253 ±0.001 1.261 0.009 1 2
C10H8 Azulene rC:C 1.398   1.407 0.009 1 3
LiO lithium oxide rLiO 1.688   1.697 0.009 1 2
CH3CHFCH3 2-Fluoropropane rCH 1.088 ±0.006 1.097 0.009 4 6
C10H8 Azulene rC:C 1.405 ±0.001 1.414 0.010 2 9
C2H3 vinyl rCH 1.085   1.095 0.010 2 4
C3H6O 2-Propen-1-ol rCH 1.078 ±0.010 1.088 0.010 3 8
CH3CH2CHO Propanal rCC 1.509   1.519 0.010 2 3
BO boron monoxide rB=O 1.205   1.215 0.010 1 2
CH3NH2 methyl amine rCH 1.093 ±0.000 1.103 0.010 1 3
GeH germylidene rGeH 1.588   1.598 0.010 1 2
CH2Cl2 Methylene chloride rCCl 1.767 ±0.002 1.778 0.011 1 4
C10H8 Azulene rCH 1.081   1.092 0.011 1 11
SiH3Cl chlorosilane rSiCl 2.051   2.061 0.011 1 2
CH3CH2O Ethoxy radical rCH 1.085   1.096 0.011 1 5
BF3 Borane, trifluoro- rBF 1.307   1.318 0.011 1 2
Si(CH3)4 tetramethylsilane rSiC 1.875 ±0.002 1.886 0.011 1 2
CH3OC2H5 Ethane, methoxy- rCO 1.407 ±0.004 1.418 0.011 2 3
C3F6 hexafluoropropene rC=C 1.329 ±0.003 1.340 0.011 1 2
C5H8O Methyl cyclopropyl ketone rCC 1.510   1.521 0.011 2 3
C4H8O2 Ethyl acetate rC=O 1.203   1.214 0.011 2 4
C10H8 Azulene rCH 1.083   1.094 0.011 5 15
CH3OCl methyl hypochlorite rCH 1.086 ±0.018 1.097 0.011 3 5
CH3CH2O Ethoxy radical rCH 1.086   1.098 0.012 1 4
FNO2 Nitryl fluoride rN=O 1.180 ±0.005 1.193 0.013 1 3
He2+ helium diatomic cation rHeHe 1.081 ±0.001 1.093 0.013 1 2
MgH+ magnesium monohydride cation rMgH 1.652   1.665 0.013 1 2
CH2NN diazomethane rN=N 1.139   1.152 0.013 2 3
SiH2Cl2 dichlorosilane rSiCl 2.033 ±0.003 2.046 0.013 1 4
CH3Br methyl bromide rCBr 1.934 ±0.000 1.947 0.013 1 2
C2H5F fluoroethane rCC 1.505 ±0.007 1.518 0.013 1 2
CH2NN diazomethane rC=N 1.300   1.313 0.013 1 2
H2CS Thioformaldehyde rC=S 1.611   1.625 0.014 1 2
HCCl Chloromethylene rCCl 1.696 ±0.003 1.710 0.014 1 2
NH2CONH2 Urea rNH 0.998   1.012 0.014 4 8
NH3BF3 Amminetrifluoroboron rBN 1.673   1.687 0.014 1 2
CH2CO Ketene rC=O 1.162   1.177 0.015 2 3
CF3COOH trifluoroacetic acid rC=O 1.192 ±0.003 1.207 0.015 2 4
C3H6 Cyclopropane rCC 1.501   1.516 0.015 1 2
AsF5 Arsenic pentafluoride rAsF 1.711 ±0.005 1.726 0.015 1 5
HNCNH diiminomethane rC=N 1.224 ±0.001 1.239 0.015 1 2
C2H2 Acetylene rC#C 1.203   1.218 0.015 1 2
C4H8O2 Ethyl acetate rCO 1.345   1.360 0.015 2 3
COBr2 Carbonic dibromide rC=O 1.172 ±0.003 1.187 0.015 1 2
C10H8 naphthalene rC:C 1.410   1.425 0.015 2 3
CH2CHCH2CH3 1-Butene rCC 1.493   1.509 0.016 2 3
O2 Oxygen diatomic rO=O 1.208   1.223 0.016 1 2
LiBr Lithium Bromide rLiBr 2.170 ±0.000 2.186 0.016 1 2
CaF Calcium monofluoride rFCa 1.967 ±0.001 1.983 0.016 1 2
CH2FCl fluorochloromethane rCCl 1.762 ±0.000 1.778 0.016 1 3
CH2Br2 dibromomethane rCBr 1.925 ±0.002 1.941 0.016 1 4
CBrClF2 Methane, bromochlorodifluoro- rCBr 1.932 ±0.004 1.949 0.017 1 2
C4H6 Bicyclo[1.1.0]butane rCC 1.497   1.515 0.018 1 2
CH3CH2O Ethoxy radical rCH 1.088   1.106 0.018 2 7
C2H6O2S Dimethyl sulfone rCS 1.777 ±0.006 1.795 0.018 1 4
CN- cyanide anion rC#N 1.177 ±0.004 1.195 0.018 1 2
CBr4 Carbon tetrabromide rCBr 1.942 ±0.002 1.960 0.018 1 2
OCSe Carbonyl selenide rC=Se 1.709   1.728 0.019 1 3
CO Carbon monoxide rC#O 1.128 ±0.000 1.147 0.019 1 2
OCSe Carbonyl selenide rC=O 1.159   1.178 0.019 1 2
C2H Ethynyl radical rCH 1.047   1.066 0.019 1 3
C5H6 Propellane rCC 1.596 ±0.005 1.616 0.020 2 5
NaH sodium hydride rNaH 1.887 ±0.000 1.906 0.020 1 2
AlC Aluminum carbide rC=Al 1.955   1.976 0.021 1 2
N2 Nitrogen diatomic rN#N 1.098   1.119 0.021 1 2
CaH Calcium monohydride rCaH 2.003 ±0.000 2.024 0.022 1 2
SiBr+ Silicon monobromide cation rSiBr 2.095 ±0.000 2.118 0.022 1 2
C3H5 Allyl radical rCH 1.069   1.091 0.022 1 2
N2O3 Dinitrogen trioxide rN=O 1.202   1.224 0.022 2 4
CH2I2 Diiodomethane rCH 1.066 ±0.015 1.088 0.022 1 4
CaOH Calcium monohydroxide rOH 0.930 ±0.007 0.952 0.022 2 3
NaF sodium fluoride rNaF 1.926 ±0.000 1.949 0.023 1 2
C10H8 Azulene rC:C 1.377   1.400 0.023 5 7
CHF2Cl difluorochloromethane rCCl 1.747 ±0.010 1.770 0.023 1 3
C10H8 Azulene rC:C 1.484   1.508 0.024 7 8
CaOH Calcium monohydroxide rOCa 1.976 ±0.004 2.001 0.025 1 2
NaCl Sodium Chloride rNaCl 2.361 ±0.000 2.386 0.025 1 2
SiF silicon monofluoride rSiF 1.604   1.630 0.026 1 2
B2 Boron diatomic rBB 1.590   1.616 0.026 1 2
SCSe Carbon sulfide selenide rC=S 1.553 ±0.002 1.579 0.026 1 2
NSe Nitrogen monoselenide rN=Se 1.652   1.678 0.027 1 2
NO+ nitric oxide cation rN=O 1.066   1.093 0.028 1 2
SiF2 Silicon difluoride rFSi 1.590 ±0.000 1.618 0.028 1 2
F2 Fluorine diatomic rFF 1.412   1.440 0.028 1 2
O2+ diatomic oxygen cation rOO 1.116   1.145 0.028 1 2
PF2 Phosphorus difluoride rPF 1.579   1.609 0.030 1 2
SCSe Carbon sulfide selenide rC=Se 1.695 ±0.002 1.725 0.030 1 3
F2SO Thionyl Fluoride rO=S 1.413 ±0.000 1.443 0.030 1 2
HClO4 perchloric acid rO=Cl 1.414 ±0.001 1.446 0.032 1 2
GaF Gallium monofluoride rFGa 1.774 ±0.000 1.806 0.032 1 2
P2 Phosphorus diatomic rP#P 1.893   1.925 0.032 1 2
PO- phosphorus monoxide anion rOP 1.540   1.573 0.033 1 2
NaBr Sodium Bromide rNaBr 2.502 ±0.000 2.535 0.033 1 2
C2H6O2S Dimethyl sulfone rS=O 1.431 ±0.004 1.464 0.033 1 2
C3O2 Carbon suboxide rC=C 1.251   1.285 0.034 1 2
GeCl Germanium monochloride rClGe 2.164 ±0.000 2.198 0.034 1 2
PF+ phosphorus monofluoride cation rFP 1.500   1.535 0.035 1 2
CSe2 Carbon diselenide rC=Se 1.692 ±0.000 1.728 0.036 1 2
C5H8O Cyclopentanone rCC 1.504   1.540 0.036 2 3
AlN Aluminum nitride rN#Al 1.786   1.822 0.036 1 2
C3O2 Carbon suboxide rC=O 1.146   1.183 0.037 2 4
SeO Selenium monoxide rSeO 1.639 ±0.001 1.676 0.037 1 2
S2+ sulfur diatomic cation rS=S 1.825 ±0.010 1.862 0.037 1 2
SO Sulfur monoxide rS=O 1.481   1.519 0.038 1 2
Li2 Lithium diatomic rLiLi 2.673   2.712 0.039 1 2
SOF4 Sulfur tetrafluoride oxide rFS 1.596 ±0.003 1.635 0.039 1 3
SF4 Sulfur tetrafluoride rSF 1.646 ±0.003 1.685 0.039 1 2
SF4 Sulfur tetrafluoride rSF 1.545 ±0.003 1.584 0.039 1 4
SF Monosulfur monofluoride rSF 1.599   1.640 0.040 1 2
NS Mononitrogen monosulfide rNS 1.497 ±0.000 1.537 0.040 1 2
S2 Sulfur diatomic rS=S 1.889   1.930 0.041 1 2
HSSSH trisulfane rSS 2.054 ±0.000 2.095 0.041 1 2
N2O3 Dinitrogen trioxide rN=O 1.142   1.183 0.041 1 3
HOCl hypochlorous acid rClO 1.697 ±0.001 1.739 0.041 1 3
C2 Carbon diatomic rC=C 1.243   1.285 0.042 1 2
GeS Germanium monosulfide rS=Ge 2.012 ±0.000 2.054 0.042 1 2
AsF Arsenic monofluoride rFAs 1.736 ±0.001 1.779 0.043 1 2
HOBr Hypobromous acid rBrO 1.834   1.878 0.044 2 3
BrO Bromine monoxide rOBr 1.718   1.763 0.045 1 2
AsF5 Arsenic pentafluoride rAsF 1.656 ±0.004 1.702 0.046 1 2
CaCl calcium monochloride rClCa 2.437   2.483 0.046 1 2
SOF4 Sulfur tetrafluoride oxide rFS 1.539 ±0.003 1.586 0.047 1 5
CFCl chlorofluoromethylene rCCl 1.714   1.762 0.048 1 3
Br2 Bromine diatomic rBrBr 2.281   2.329 0.048 1 2
As4 Arsenic tetramer rAsAs 2.435   2.484 0.049 1 2
NS+ nitrogen sulfide cation rNS 1.440   1.491 0.051 1 2
Se2 Selenium diatomic rSe=Se 2.166 ±0.001 2.217 0.051 1 2
PS phosphorus sulfide rP=S 1.900   1.952 0.052 1 2
HClO4 perchloric acid rO=Cl 1.404 ±0.001 1.456 0.052 1 4
SO+ sulfur monoxide cation rO=S 1.424   1.476 0.052 1 2
BrCl Bromine monochloride rClBr 2.136 ±0.000 2.189 0.053 1 2
SCl2 Sulfur dichloride rSCl 2.013 ±0.001 2.066 0.053 1 2
SCl sulfur monochloride rSCl 1.975   2.030 0.055 1 2
F2SO Thionyl Fluoride rFS 1.585 ±0.000 1.642 0.057 1 3
BrF Bromine monofluoride rFBr 1.759 ±0.000 1.817 0.058 1 2
FNO2 Nitryl fluoride rNF 1.467 ±0.015 1.527 0.060 1 2
ClF Chlorine monofluoride rFCl 1.628 ±0.000 1.689 0.061 1 2
GeF Germanium monofluoride rFGe 1.745   1.806 0.061 1 2
GeF+ Germanium monofluoride cation rFGe 1.665 ±0.000 1.727 0.061 1 2
SeO2 Selenium dioxide rSeO 1.607 ±0.001 1.669 0.062 1 2
Cl2 Chlorine diatomic rClCl 1.988   2.050 0.062 1 2
As2 Arsenic diatomic rAs#As 2.103   2.164 0.062 1 2
C4H8O2 Ethyl acetate rCO 1.448   1.520 0.072 5 6
GaAs Gallium arsenide rGa#As 2.530 ±0.020 2.602 0.072 1 2
HClO4 perchloric acid rOCl 1.641 ±0.002 1.722 0.081 1 3
BeO beryllium oxide rBe=O 1.331   1.418 0.087 1 2
ClOF3 Chlorine trifluoride oxide rFCl 1.713 ±0.003 1.813 0.100 1 4
GeO Germanium monoxide rOGe 1.625   1.738 0.113 1 2
ClOF3 Chlorine trifluoride oxide rFCl 1.603 ±0.004 1.752 0.149 1 3
Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- rAlCl 2.040 ±0.040 2.261 0.221 1 3
CaO Calcium monoxide rOCa 1.822   2.118 0.296 1 2
C4H10O Methyl propyl ether rCH 1.099   1.415 0.316 1 2
299 molecules.