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Average Bond Length Differences by Model Chemistry

Calculated at CCD/aug-cc-pVDZ

Species Name Bond type Bond Length (Å)
Experimental unc. Calculated Difference atom1 atom2
C4H10O Methyl propyl ether rCC 1.530   1.104 -0.426 5 13
FNO2 Nitryl fluoride rNF 1.467 ±0.015 1.438 -0.029 1 2
CN Cyano radical rC#N 1.172   1.144 -0.028 1 2
C5H8O Methyl cyclopropyl ketone rCH 1.126   1.099 -0.027 3 7
C2H Ethynyl radical rC#C 1.217   1.197 -0.020 1 2
C2H2O2 Ethanedial rCH 1.132   1.113 -0.019 1 3
NH3BF3 Amminetrifluoroboron rBN 1.673   1.654 -0.019 1 2
LiOH lithium hydroxide rOH 0.969   0.952 -0.017 1 3
CO+ carbon monoxide cation rC=O 1.115 ±0.000 1.100 -0.015 1 2
NO Nitric oxide rN=O 1.154 ±0.000 1.141 -0.013 1 2
CH3CH2CH2CH3 Butane rCH 1.117   1.107 -0.010 1 5
HF+ hydrogen fluoride cation rHF 1.014   1.006 -0.009 1 2
FO Oxygen monofluoride rFO 1.354   1.347 -0.008 1 2
C4H8O2 Ethyl acetate rCH 1.105   1.098 -0.007 1 7
HO2 Hydroperoxy radical rOO 1.331   1.323 -0.007 1 2
HOCl hypochlorous acid rOH 0.973 ±0.002 0.969 -0.004 1 2
C5H8 Ethenylcyclopropane rCH 1.099   1.095 -0.004 1 6
NH2F monofluoroamine rNF 1.433   1.429 -0.004 1 2
HeH+ Helium hydride cation rHHe 0.790   0.786 -0.004 1 2
O2 Oxygen diatomic rO=O 1.208   1.205 -0.003 1 2
H2Cl+ dihydrogen monochloride cation rHCl 1.321 ±0.000 1.318 -0.002 1 2
BN boron nitride rB=N 1.325   1.323 -0.002 1 2
SiH2Cl2 dichlorosilane rSiH 1.480 ±0.015 1.479 -0.001 1 2
CH3CH2CHO Propanal rCH 1.103   1.102 -0.001 1 6
NH4+ ammonium cation rHN 1.029 ±0.000 1.028 -0.001 1 2
OCSe Carbonyl selenide rC=O 1.159   1.158 -0.001 1 2
HSe Selenium monohydride rSeH 1.475 ±0.010 1.475 0.000 1 2
O2+ diatomic oxygen cation rOO 1.116   1.116 0.000 1 2
CH2NH Methanimine rCH 1.103   1.103 0.000 1 3
N3 azide radical rNN 1.181   1.182 0.000 1 2
C10H8 Azulene rC:C 1.414   1.415 0.001 7 9
ArH+ Argon hydride cation rArH 1.292 ±0.000 1.293 0.001 1 2
B2H6 Diborane rBH 1.200   1.201 0.001 1 5
CH3NH2 methyl amine rNH 1.018 ±0.001 1.020 0.002 2 6
AsH Arsenic monohydride rAsH 1.535 ±0.001 1.537 0.002 1 2
F2 Fluorine diatomic rFF 1.412   1.414 0.002 1 2
CBrClF2 Methane, bromochlorodifluoro- rCBr 1.932 ±0.004 1.934 0.002 1 2
NSe Nitrogen monoselenide rN=Se 1.652   1.654 0.002 1 2
H2CSe Selenoformaldehyde rC=Se 1.753   1.755 0.002 1 2
CH3CH2CHO Propanal rCH 1.105   1.107 0.002 2 8
CH3CH2CHO Propanal rCH 1.115   1.117 0.002 3 10
FNO2 Nitryl fluoride rN=O 1.180 ±0.005 1.183 0.003 1 3
CH3NH2 methyl amine rCN 1.471 ±0.003 1.474 0.003 1 2
C5H6 Propellane rCC 1.596 ±0.005 1.599 0.003 2 5
C2H2O2 Ethanedial rCC 1.526   1.529 0.003 1 2
CH3CHO Acetaldehyde rCH 1.114   1.117 0.003 1 4
HO2 Hydroperoxy radical rOH 0.971   0.974 0.003 1 3
DF Hydrofluoric acid-d rDF 0.917 ±0.000 0.921 0.004 1 2
C3H3NO Oxazole rCO 1.357 ±0.003 1.361 0.004 1 2
HF Hydrogen fluoride rHF 0.917 ±0.000 0.921 0.004 1 2
CH3OC2H5 Ethane, methoxy- rCO 1.415 ±0.005 1.419 0.004 1 2
C5H6 Propellane rCC 1.525 ±0.002 1.529 0.004 1 2
HCCl Chloromethylene rCH 1.119 ±0.036 1.123 0.005 1 3
OH- hydroxide anion rOH 0.964   0.969 0.005 1 2
KrH+ Protonated Krypton rHKr 1.421 ±0.000 1.426 0.005 1 2
CH2PH Phosphaethene rCH 1.090 ±0.015 1.095 0.005 1 3
C3H6O 2-Propen-1-ol rCH 1.091 ±0.010 1.096 0.005 3 9
C3H6O 2-Propen-1-ol rCH 1.092 ±0.010 1.097 0.005 2 7
He2+ helium diatomic cation rHeHe 1.081 ±0.001 1.086 0.005 1 2
NO+ nitric oxide cation rN=O 1.066   1.071 0.005 1 2
C4H8O2 Ethyl acetate rCC 1.508   1.514 0.006 1 2
H2O Water rOH 0.958 ±0.000 0.963 0.006 1 2
CH2CHCH2CH3 1-Butene rCC 1.536   1.542 0.006 1 2
C3H6O 2-Propen-1-ol rCH 1.102 ±0.020 1.108 0.006 1 6
C3H3NO Oxazole rCO 1.370 ±0.002 1.376 0.006 1 5
CH3CCH propyne rCH 1.096   1.102 0.006 1 5
BO boron monoxide rB=O 1.205   1.211 0.006 1 2
CH3CH2CHO Propanal rCH 1.096   1.102 0.006 1 5
CH2CO Ketene rCH 1.083   1.089 0.006 1 4
CH3CH2CH2CH3 Butane rCC 1.531   1.537 0.006 1 2
CH2PH Phosphaethene rCH 1.090 ±0.015 1.096 0.006 1 4
CSe Carbon monoselenide rC=Se 1.676 ±0.000 1.683 0.006 1 2
H2CSe Selenoformaldehyde rHC 1.090   1.097 0.007 1 3
CH2CO Ketene rC=O 1.162   1.169 0.007 2 3
OH Hydroxyl radical rOH 0.970   0.976 0.007 1 2
HBr+ hydrogen bromide cation rHBr 1.448   1.455 0.007 1 2
CHF3 Methane, trifluoro- rCH 1.091 ±0.014 1.098 0.007 1 2
HS+ sulfur monohydride cation rSH 1.374   1.381 0.007 1 2
AsF5 Arsenic pentafluoride rAsF 1.711 ±0.005 1.718 0.007 1 5
CH2 Methylene rCH 1.085   1.092 0.007 1 2
CHONH2 formamide rNH 1.001   1.008 0.007 3 6
CH3NO nitrosomethane rCH 1.094   1.101 0.007 1 4
HOBr Hypobromous acid rOH 0.961   0.968 0.007 1 2
HSiCl Chlorosilylene rSiH 1.525 ±0.005 1.533 0.008 1 3
C4H8O2 Ethyl acetate rCC 1.515   1.523 0.008 5 6
CH3CHS Thioacetaldehyde rCH 1.098   1.106 0.008 2 6
CH3CH2CHO Propanal rCC 1.509   1.517 0.008 2 3
ScH Scandium monohydride rScH 1.775 ±0.000 1.783 0.008 1 2
B2H6 Diborane rBH 1.320   1.328 0.008 1 3
CH3CHFCH3 2-Fluoropropane rCH 1.093 ±0.006 1.102 0.009 4 8
NO- nitric oxide anion rN=O 1.258 ±0.010 1.267 0.009 1 2
CH3CH2CHO Propanal rCC 1.523   1.532 0.009 1 2
CH3CHFCH3 2-Fluoropropane rCH 1.094 ±0.005 1.103 0.009 4 10
HBr hydrogen bromide rHBr 1.414 ±0.000 1.424 0.009 1 2
C10H8 Azulene rC:C 1.398   1.407 0.009 1 3
CH3OC2H5 Ethane, methoxy- rCH 1.099 ±0.007 1.108 0.009 1 6
COBr2 Carbonic dibromide rC=O 1.172 ±0.003 1.181 0.009 1 2
C2H2ClF 1-chloro-1-fluoroethylene rCH 1.082 ±0.001 1.091 0.009 2 5
CO Carbon monoxide rC#O 1.128 ±0.000 1.138 0.009 1 2
C3H8 Propane rCH 1.096   1.105 0.009 1 4
C4H8O2 Ethyl acetate rC=O 1.203   1.212 0.009 2 4
C4H8O2 Ethyl acetate rCO 1.345   1.355 0.010 2 3
C4H8 cyclobutane rCH 1.093   1.103 0.010 1 5
CH3CHClCH3 Propane, 2-chloro- rCH 1.091   1.101 0.010 2 5
SiH3F monofluorosilane rSiH 1.476   1.486 0.010 1 3
CSe2 Carbon diselenide rC=Se 1.692 ±0.000 1.702 0.010 1 2
CH3CHS Thioacetaldehyde rCH 1.090   1.100 0.010 2 5
NH2SH Thiohydroxylamine rSH 1.344 ±0.029 1.354 0.010 2 3
C3H6 Cyclopropane rCH 1.083   1.093 0.010 1 4
CHONH2 formamide rNH 1.001   1.011 0.010 3 5
C5H8O Methyl cyclopropyl ketone rCC 1.510   1.520 0.010 2 3
CH3OC2H5 Ethane, methoxy- rCH 1.100 ±0.003 1.110 0.010 3 8
CH2Cl2 Methylene chloride rCH 1.085 ±0.002 1.095 0.010 1 2
CH3OC2H5 Ethane, methoxy- rCH 1.092 ±0.007 1.102 0.010 4 11
SiH3Cl chlorosilane rSiH 1.475   1.485 0.010 1 3
C4H8 cyclobutane rCH 1.091   1.101 0.010 1 6
H2Se Hydrogen selenide rSeH 1.460   1.470 0.010 1 2
CH2CHF Ethene, fluoro- rCH 1.082   1.092 0.010 1 4
C3H6O 2-Propen-1-ol rCH 1.096 ±0.030 1.106 0.010 1 5
C10H8 Azulene rC:C 1.405 ±0.001 1.415 0.011 2 9
CH3NO nitrosomethane rCH 1.092   1.103 0.011 1 5
SCSe Carbon sulfide selenide rC=Se 1.695 ±0.002 1.706 0.011 1 3
C10H8 Azulene rCH 1.084   1.095 0.011 4 14
C3H4 cyclopropene rCH 1.088   1.099 0.011 1 6
C4H6 Bicyclo[1.1.0]butane rCC 1.497   1.508 0.011 1 2
SiH4 Silane rSiH 1.480 ±0.000 1.491 0.012 1 2
C10H8 Azulene rCH 1.080   1.091 0.012 9 17
CH3CHFCH3 2-Fluoropropane rCH 1.092   1.104 0.012 1 3
C3H3NO Oxazole rCH 1.075 ±0.001 1.087 0.012 2 6
BeH2 beryllium dihydride rBeH 1.326 ±0.000 1.339 0.012 1 2
GeH germylidene rGeH 1.588   1.601 0.013 1 2
CH3CHClCH3 Propane, 2-chloro- rCH 1.092   1.105 0.013 3 6
C3H3NO Oxazole rCH 1.075 ±0.001 1.088 0.013 4 7
HNCNH diiminomethane rC=N 1.224 ±0.001 1.237 0.013 1 2
CH3CHS Thioacetaldehyde rCH 1.089   1.102 0.013 1 4
NS+ nitrogen sulfide cation rNS 1.440   1.453 0.013 1 2
SeO2 Selenium dioxide rSeO 1.607 ±0.001 1.620 0.013 1 2
C3H3NO Oxazole rCH 1.073 ±0.001 1.086 0.013 5 8
C2H2+ acetylene cation rC=C 1.253 ±0.001 1.266 0.013 1 2
AsH3 Arsine rAsH 1.511 ±0.000 1.524 0.014 1 2
CH3CSNH2 Ethanethioamide rC=S 1.647 ±0.002 1.661 0.014 1 2
C2H2 Acetylene rCH 1.063   1.077 0.014 1 3
CH3CHO Acetaldehyde rCH 1.086   1.100 0.014 2 5
BeH beryllium monohydride rBeH 1.343   1.356 0.014 1 2
CH4 Methane rCH 1.087 ±0.001 1.101 0.014 1 2
C5H8 Ethenylcyclopropane rCC 1.475   1.489 0.014 1 2
CH2Br2 dibromomethane rCBr 1.925 ±0.002 1.939 0.014 1 4
CH3OC2H5 Ethane, methoxy- rCH 1.086 ±0.010 1.100 0.014 1 5
CH3OC2H5 Ethane, methoxy- rCH 1.089 ±0.008 1.103 0.014 4 10
H2CS Thioformaldehyde rC=S 1.611   1.625 0.014 1 2
N2 Nitrogen diatomic rN#N 1.098   1.112 0.015 1 2
C10H8 Azulene rCH 1.083   1.097 0.015 5 15
HCl+ hydrogen chloride cation rHCl 1.315   1.329 0.015 1 2
CH3Br methyl bromide rCH 1.082 ±0.001 1.097 0.015 1 3
BH3 boron trihydride rBH 1.190   1.205 0.015 1 2
SCSe Carbon sulfide selenide rC=S 1.553 ±0.002 1.568 0.015 1 2
C3H4 cyclopropene rCH 1.072   1.087 0.015 2 4
C10H8 Azulene rCH 1.081   1.096 0.015 1 11
CH3CCH propyne rCH 1.060   1.075 0.015 3 4
CH3NH2 methyl amine rCH 1.093 ±0.000 1.108 0.015 1 3
HCl Hydrogen chloride rHCl 1.275 ±0.000 1.290 0.015 1 2
CH2CHF Ethene, fluoro- rCH 1.077   1.092 0.015 2 5
CN- cyanide anion rC#N 1.177 ±0.004 1.192 0.015 1 2
SiH2F2 difluorosilane rSiH 1.462   1.477 0.015 1 4
CH3CHFCH3 2-Fluoropropane rCH 1.088 ±0.006 1.104 0.016 4 6
C2H2+ acetylene cation rCH 1.077 ±0.005 1.092 0.016 1 3
C2H3 vinyl rCH 1.085   1.101 0.016 2 4
NH2CONH2 Urea rNH 0.998   1.014 0.016 4 8
BeO beryllium oxide rBe=O 1.331   1.347 0.016 1 2
C3H6O 2-Propen-1-ol rCH 1.078 ±0.010 1.094 0.016 3 8
CH2F2 Methane, difluoro- rCH 1.084 ±0.003 1.100 0.016 1 2
GeO Germanium monoxide rOGe 1.625   1.641 0.016 1 2
CH3Br methyl bromide rCBr 1.934 ±0.000 1.950 0.016 1 2
HS- mercapto anion rSH 1.343   1.360 0.016 1 2
SeO Selenium monoxide rSeO 1.639 ±0.001 1.656 0.017 1 2
CH3OC2H5 Ethane, methoxy- rCO 1.407 ±0.004 1.424 0.017 2 3
SiH3+ Silyl cation rSiH 1.460 ±0.010 1.477 0.017 1 2
HS Mercapto radical rSH 1.341   1.358 0.017 1 2
GeH3F monofluorogermane rGeH 1.515 ±0.000 1.532 0.017 1 3
CH Methylidyne rCH 1.120   1.137 0.017 1 2
CH3CH2O Ethoxy radical rCH 1.085   1.103 0.018 1 5
SiC silicon monocarbide rCSi 1.722   1.740 0.018 1 2
CHF3 Methane, trifluoro- rCF 1.328 ±0.003 1.346 0.018 1 3
CH3CH2O Ethoxy radical rCH 1.086   1.104 0.018 1 4
As2 Arsenic diatomic rAs#As 2.103   2.121 0.018 1 2
SiH+ silicon monohydride cation rSiH 1.504   1.523 0.019 1 2
BH Boron monohydride rBH 1.232   1.251 0.019 1 2
HOBr Hypobromous acid rBrO 1.834   1.853 0.019 2 3
OCSe Carbonyl selenide rC=Se 1.709   1.728 0.019 1 3
C3O2 Carbon suboxide rC=O 1.146   1.165 0.019 2 4
C3H6 Cyclopropane rCC 1.501   1.520 0.019 1 2
C2H2 Acetylene rC#C 1.203   1.222 0.019 1 2
MgH magnesium monohydride rMgH 1.730   1.749 0.019 1 2
SiH Silylidyne rSiH 1.520   1.540 0.019 1 2
H2 Hydrogen diatomic rHH 0.741   0.761 0.020 1 2
PH phosphorus monohydride rPH 1.422   1.442 0.020 1 2
CH2Cl2 Methylene chloride rCCl 1.767 ±0.002 1.787 0.020 1 4
CH2F2 Methane, difluoro- rCF 1.351 ±0.001 1.371 0.020 1 4
CH2CHCH2CH3 1-Butene rCC 1.493   1.513 0.020 2 3
PN Phosphorus mononitride rP#N 1.491   1.511 0.020 1 2
CF Fluoromethylidyne rCF 1.276   1.296 0.020 1 2
GaF Gallium monofluoride rFGa 1.774 ±0.000 1.795 0.021 1 2
C2H6O2S Dimethyl sulfone rCS 1.777 ±0.006 1.798 0.021 1 4
C2 Carbon diatomic rC=C 1.243   1.264 0.022 1 2
CH3CH2O Ethoxy radical rCH 1.088   1.110 0.022 2 7
C10H8 Azulene rC:C 1.484   1.506 0.022 7 8
GeS Germanium monosulfide rS=Ge 2.012 ±0.000 2.035 0.023 1 2
Se2 Selenium diatomic rSe=Se 2.166 ±0.001 2.190 0.024 1 2
C10H8 Azulene rC:C 1.377   1.401 0.024 5 7
BF3 Borane, trifluoro- rBF 1.307   1.332 0.025 1 2
HCCl Chloromethylene rCCl 1.696 ±0.003 1.721 0.025 1 2
BrF Bromine monofluoride rFBr 1.759 ±0.000 1.784 0.025 1 2
MgH+ magnesium monohydride cation rMgH 1.652   1.677 0.025 1 2
GeF+ Germanium monofluoride cation rFGe 1.665 ±0.000 1.692 0.027 1 2
C3H5 Allyl radical rCH 1.069   1.097 0.028 1 2
P2 Phosphorus diatomic rP#P 1.893   1.921 0.028 1 2
NS Mononitrogen monosulfide rNS 1.497 ±0.000 1.525 0.028 1 2
LiH Lithium Hydride rLiH 1.595 ±0.000 1.623 0.029 1 2
AsF3 Arsenic trifluoride rAsF 1.706 ±0.002 1.735 0.029 1 2
C2H Ethynyl radical rCH 1.047   1.076 0.030 1 3
HOCl hypochlorous acid rClO 1.697 ±0.001 1.727 0.030 1 3
GeH3F monofluorogermane rGeF 1.731 ±0.000 1.761 0.030 1 2
As4 Arsenic tetramer rAsAs 2.435   2.465 0.030 1 2
LiOH lithium hydroxide rLiO 1.582   1.612 0.031 1 2
SiS silicon monosulfide rSiS 1.929 ±0.000 1.960 0.031 1 2
PO Phosphorus monoxide rP=O 1.476   1.507 0.031 1 2
GeF Germanium monofluoride rFGe 1.745   1.776 0.031 1 2
S2+ sulfur diatomic cation rS=S 1.825 ±0.010 1.857 0.032 1 2
Si2 Silicon diatomic rSiSi 2.246   2.278 0.032 1 2
C5H8O Cyclopentanone rCC 1.504   1.537 0.033 2 3
SO+ sulfur monoxide cation rO=S 1.424   1.457 0.033 1 2
SeCl2 Selenium Dichloride rClSe 2.157 ±0.003 2.190 0.033 1 2
ClO Monochlorine monoxide rClO 1.596 ±0.001 1.630 0.034 1 2
OPCl Phosphorus oxychloride rP=O 1.462 ±0.011 1.497 0.035 1 2
ClOF3 Chlorine trifluoride oxide rFCl 1.713 ±0.003 1.749 0.036 1 4
AsF Arsenic monofluoride rFAs 1.736 ±0.001 1.772 0.036 1 2
SiO Silicon monoxide rSiO 1.510 ±0.000 1.546 0.036 1 2
LiF lithium fluoride rLiF 1.564 ±0.000 1.600 0.037 1 2
BF Boron monofluoride rBF 1.267 ±0.000 1.303 0.037 1 2
AsF5 Arsenic pentafluoride rAsF 1.656 ±0.004 1.694 0.038 1 2
SSO Disulfur monoxide rS=S 1.884   1.922 0.038 2 3
LiNH2 lithium amide rLiN 1.736 ±0.003 1.774 0.038 1 2
LiO lithium oxide rLiO 1.688   1.727 0.039 1 2
C3O2 Carbon suboxide rC=C 1.251   1.290 0.039 1 2
NaH sodium hydride rNaH 1.887 ±0.000 1.926 0.040 1 2
SOF4 Sulfur tetrafluoride oxide rFS 1.596 ±0.003 1.636 0.040 1 3
SO Sulfur monoxide rS=O 1.481   1.521 0.040 1 2
S2 Sulfur diatomic rS=S 1.889   1.929 0.040 1 2
ClF Chlorine monofluoride rFCl 1.628 ±0.000 1.669 0.041 1 2
F2SO Thionyl Fluoride rO=S 1.413 ±0.000 1.454 0.041 1 2
B2 Boron diatomic rBB 1.590   1.632 0.042 1 2
SSO Disulfur monoxide rS=O 1.456   1.499 0.042 1 2
AlF Aluminum monofluoride rAlF 1.654 ±0.000 1.697 0.043 1 2
SF4 Sulfur tetrafluoride rSF 1.646 ±0.003 1.689 0.043 1 2
SiBr+ Silicon monobromide cation rSiBr 2.095 ±0.000 2.139 0.044 1 2
CFCl chlorofluoromethylene rCCl 1.714   1.758 0.044 1 3
PO- phosphorus monoxide anion rOP 1.540   1.584 0.044 1 2
BrO Bromine monoxide rOBr 1.718   1.763 0.045 1 2
PS phosphorus sulfide rP=S 1.900   1.948 0.048 1 2
SF4 Sulfur tetrafluoride rSF 1.545 ±0.003 1.595 0.050 1 4
Cl2+ chlorine diatomic cation rClCl 1.892   1.942 0.050 1 2
SOF4 Sulfur tetrafluoride oxide rFS 1.539 ±0.003 1.589 0.050 1 5
SF Monosulfur monofluoride rSF 1.599   1.650 0.050 1 2
HSSSH trisulfane rSS 2.054 ±0.000 2.105 0.051 1 2
SiH2Cl2 dichlorosilane rSiCl 2.033 ±0.003 2.086 0.053 1 4
NaF sodium fluoride rNaF 1.926 ±0.000 1.979 0.053 1 2
SiH3Cl chlorosilane rSiCl 2.051   2.104 0.054 1 2
BrCl Bromine monochloride rClBr 2.136 ±0.000 2.190 0.054 1 2
C2H6O2S Dimethyl sulfone rS=O 1.431 ±0.004 1.485 0.054 1 2
Li2 Lithium diatomic rLiLi 2.673   2.728 0.055 1 2
TiCl Titanium Monochloride rClTi 2.265 ±0.000 2.320 0.055 1 2
SCl2 Sulfur dichloride rSCl 2.013 ±0.001 2.068 0.056 1 2
Br2 Bromine diatomic rBrBr 2.281   2.337 0.056 1 2
SiH3F monofluorosilane rSiF 1.595   1.650 0.056 1 2
OPCl Phosphorus oxychloride rPCl 2.059 ±0.004 2.115 0.056 1 3
GeCl Germanium monochloride rClGe 2.164 ±0.000 2.220 0.056 1 2
F2SO Thionyl Fluoride rFS 1.585 ±0.000 1.643 0.057 1 3
NCl nitrogen monochloride rNCl 1.611 ±0.000 1.668 0.058 1 2
AlNC Aluminum isocyanide rAlN 1.855 ±0.005 1.913 0.058 1 2
SiF2 Silicon difluoride rFSi 1.590 ±0.000 1.648 0.058 1 2
PF2 Phosphorus difluoride rPF 1.579   1.638 0.059 1 2
ClOF3 Chlorine trifluoride oxide rFCl 1.603 ±0.004 1.662 0.059 1 3
SiF silicon monofluoride rSiF 1.604   1.664 0.059 1 2
SiP Silicon monophosphide rSiP 2.078 ±0.002 2.137 0.060 1 2
PF+ phosphorus monofluoride cation rFP 1.500   1.560 0.060 1 2
Cl2 Chlorine diatomic rClCl 1.988   2.048 0.061 1 2
SCl sulfur monochloride rSCl 1.975   2.037 0.062 1 2
GaAs Gallium arsenide rGa#As 2.530 ±0.020 2.592 0.062 1 2
NaCl Sodium Chloride rNaCl 2.361 ±0.000 2.424 0.063 1 2
LiCl lithium chloride rLiCl 2.021 ±0.000 2.084 0.063 1 2
GaBr Gallium monobromide rGaBr 2.352 ±0.000 2.416 0.064 1 2
SiCl Clorosilylidyne rSiCl 2.061 ±0.000 2.126 0.065 1 2
HSiCl Chlorosilylene rSiCl 2.067 ±0.003 2.133 0.066 1 2
AlC Aluminum carbide rC=Al 1.955   2.023 0.068 1 2
LiBr Lithium Bromide rLiBr 2.170 ±0.000 2.239 0.068 1 2
C4H8O2 Ethyl acetate rCO 1.448   1.523 0.075 5 6
AlBr Aluminum monobromide rAlBr 2.295   2.371 0.076 1 2
AlCl Aluminum monochloride rAlCl 2.130 ±0.000 2.207 0.076 1 2
NaLi lithium sodium rLiNa 2.889   2.968 0.079 1 2
Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- rAlCl 2.040 ±0.040 2.316 0.276 1 3
C4H10O Methyl propyl ether rCH 1.099   1.419 0.320 1 2
301 molecules.