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Average Bond Length Differences by Model Chemistry

Calculated at B2PLYP/aug-cc-pVTZ

Species Name Bond type Bond Length (Å)
Experimental unc. Calculated Difference atom1 atom2
C4H10O Methyl propyl ether rCC 1.530   1.090 -0.440 5 13
C4H6 Methylenecyclopropane rCC 1.457   1.412 -0.045 2 5
NSe Nitrogen monoselenide rN=Se 1.652   1.612 -0.040 1 2
C2H2O2 Ethanedial rCH 1.132   1.102 -0.030 1 3
CH2ClCH2Cl Ethane, 1,2-dichloro- rCH 1.112   1.084 -0.028 1 5
CH3CH2CH2CH3 Butane rCH 1.117   1.093 -0.024 1 5
CH3OCl methyl hypochlorite rCH 1.111 ±0.018 1.088 -0.023 3 4
CH2ClCH2Cl Ethane, 1,2-dichloro- rCC 1.531   1.510 -0.021 1 2
C4H8O2 Ethyl acetate rCH 1.105   1.084 -0.021 1 7
N(CH3)3 Trimethylamine rCH 1.109   1.089 -0.020 2 8
CH3COCl Acetyl Chloride rCH 1.105   1.086 -0.019 2 5
C3F6 hexafluoropropene rCF 1.329 ±0.003 1.310 -0.019 1 4
ScH Scandium monohydride rScH 1.775 ±0.000 1.757 -0.019 1 2
LiOH lithium hydroxide rOH 0.969   0.951 -0.018 1 3
C5H8 Ethenylcyclopropane rCH 1.099   1.082 -0.017 1 6
B2H6 Diborane rBH 1.200   1.184 -0.016 1 5
C5H6 Propellane rCC 1.596 ±0.005 1.581 -0.015 2 5
CH3CH2CHO Propanal rCH 1.103   1.088 -0.015 1 6
ClO Monochlorine monoxide rClO 1.596 ±0.001 1.582 -0.014 1 2
CH3ONO Methyl nitrite rCH 1.102   1.088 -0.014 1 4
F2O Difluorine monoxide rFO 1.405   1.391 -0.014 1 2
C3H6O Propylene oxide rCC 1.513   1.499 -0.014 2 6
C2H Ethynyl radical rC#C 1.217   1.203 -0.014 1 2
SiC silicon monocarbide rCSi 1.722   1.708 -0.014 1 2
CH2NH Methanimine rCH 1.103   1.091 -0.012 1 3
C10H8 Azulene rC:C 1.414   1.402 -0.012 7 9
C2H3Cl Ethene, chloro- rCH 1.090   1.078 -0.012 1 4
TiCl Titanium Monochloride rClTi 2.265 ±0.000 2.253 -0.012 1 2
C8H8 cubane rCH 1.097   1.085 -0.012 1 9
CH2FCl fluorochloromethane rCF 1.370 ±0.001 1.359 -0.011 1 2
SiH2Cl2 dichlorosilane rSiH 1.480 ±0.015 1.469 -0.011 1 2
CH3COCl Acetyl Chloride rCC 1.506   1.495 -0.011 1 2
F2 Fluorine diatomic rFF 1.412   1.401 -0.011 1 2
H2Cl+ dihydrogen monochloride cation rHCl 1.321 ±0.000 1.310 -0.011 1 2
CH3CH2CHO Propanal rCH 1.115   1.105 -0.010 3 10
CH3SeH Methane selenol rSeH 1.473 ±0.020 1.463 -0.010 1 3
AsH Arsenic monohydride rAsH 1.535 ±0.001 1.525 -0.010 1 2
CH2 Methylene rCH 1.085   1.075 -0.010 1 2
CH3CH2OH Ethanol rCH 1.098   1.089 -0.009 1 6
B2H6 Diborane rBH 1.320   1.311 -0.009 1 3
CH3CH2CHO Propanal rCH 1.105   1.096 -0.009 2 8
C3H6O 2-Propen-1-ol rCH 1.091 ±0.010 1.082 -0.009 3 9
CH2PH Phosphaethene rCH 1.090 ±0.015 1.081 -0.009 1 3
HSe Selenium monohydride rSeH 1.475 ±0.010 1.466 -0.009 1 2
C3H6O 2-Propen-1-ol rCH 1.092 ±0.010 1.084 -0.008 2 7
C5H6 Propellane rCC 1.525 ±0.002 1.517 -0.008 1 2
CH2CCHCH3 1,2-Butadiene rC=C 1.314   1.306 -0.008 1 2
CH3CH(CH3)CH3 Isobutane rCH 1.100   1.092 -0.008 3 6
CH2PH Phosphaethene rCH 1.090 ±0.015 1.082 -0.008 1 4
CH3NHCH3 Dimethylamine rCH 1.098   1.090 -0.008 3 7
HS+ sulfur monohydride cation rSH 1.374   1.367 -0.008 1 2
CH3NC methyl isocyanide rCH 1.094   1.087 -0.007 1 4
CH3CHO Acetaldehyde rCH 1.114   1.107 -0.007 1 4
HeH+ Helium hydride cation rHHe 0.790   0.782 -0.007 1 2
CH3NH2 methyl amine rCN 1.471 ±0.003 1.464 -0.007 1 2
H2CSe Selenoformaldehyde rHC 1.090   1.083 -0.007 1 3
CH3OCHO methyl formate rCH 1.101   1.094 -0.007 3 8
CH3CH2CHO Propanal rCC 1.509   1.502 -0.007 2 3
CH3NH2 methyl amine rNH 1.018 ±0.001 1.011 -0.007 2 6
CH3CCH propyne rCH 1.096   1.089 -0.007 1 5
C3H6O 2-Propen-1-ol rCH 1.102 ±0.020 1.095 -0.007 1 6
CH2C(CH3)CH3 1-Propene, 2-methyl- rCH 1.088   1.081 -0.007 2 3
NH4+ ammonium cation rHN 1.029 ±0.000 1.022 -0.007 1 2
C2H2O2 Ethanedial rCC 1.526   1.520 -0.006 1 2
CH3ONO Methyl nitrite rCH 1.090   1.084 -0.006 1 3
C2H2+ acetylene cation rC=C 1.253 ±0.001 1.246 -0.006 1 2
HOCl hypochlorous acid rOH 0.973 ±0.002 0.967 -0.006 1 2
CH3CH2CHO Propanal rCH 1.096   1.090 -0.006 1 5
CH2CO Ketene rCH 1.083   1.076 -0.006 1 4
CH3NO nitrosomethane rCH 1.094   1.088 -0.006 1 4
C2H5F fluoroethane rCH 1.095 ±0.007 1.089 -0.006 1 4
C4H6 Bicyclo[1.1.0]butane rCC 1.497   1.491 -0.006 1 2
HF+ hydrogen fluoride cation rHF 1.014   1.009 -0.006 1 2
CH3CHS Thioacetaldehyde rCH 1.098   1.093 -0.005 2 6
CH3CHFCH3 2-Fluoropropane rCH 1.093 ±0.006 1.088 -0.005 4 8
C4H8O2 Ethyl acetate rCC 1.508   1.503 -0.005 1 2
CHF3 Methane, trifluoro- rCH 1.091 ±0.014 1.086 -0.005 1 2
C4H8O2 Ethyl acetate rCC 1.515   1.510 -0.005 5 6
CH2FCl fluorochloromethane rCH 1.090 ±0.010 1.085 -0.005 1 4
OH Hydroxyl radical rOH 0.970   0.965 -0.005 1 2
BH Boron monohydride rBH 1.232   1.228 -0.005 1 2
CH3CHFCH3 2-Fluoropropane rCH 1.094 ±0.005 1.089 -0.005 4 10
CH3NC methyl isocyanide rCN 1.426 ±0.003 1.421 -0.005 1 2
CH2O2 Dioxirane rCH 1.090 ±0.002 1.086 -0.005 1 2
CH2CHCH2CH3 1-Butene rCC 1.536   1.531 -0.005 1 2
CH3CH2CH2CH3 Butane rCC 1.531   1.527 -0.004 1 2
C10H8 Azulene rC:C 1.398   1.394 -0.004 1 3
C3H8 Propane rCH 1.096   1.092 -0.004 1 4
C5H8 Ethenylcyclopropane rCC 1.475   1.471 -0.004 1 2
C4H8 cyclobutane rCH 1.093   1.089 -0.004 1 5
CH3CHS Thioacetaldehyde rCH 1.090   1.086 -0.004 2 5
CH3CHClCH3 Propane, 2-chloro- rCH 1.091   1.087 -0.004 2 5
CH2Cl2 Methylene chloride rCH 1.085 ±0.002 1.081 -0.004 1 2
C2H2ClF 1-chloro-1-fluoroethylene rCH 1.082 ±0.001 1.078 -0.004 2 5
CH3OC2H5 Ethane, methoxy- rCH 1.099 ±0.007 1.095 -0.004 1 6
ClCN chlorocyanogen rC#N 1.161   1.157 -0.004 2 3
C3H6 Cyclopropane rCH 1.083   1.079 -0.004 1 4
C4H6 Cyclobutene rCH 1.094   1.090 -0.004 3 7
ArH+ Argon hydride cation rArH 1.292 ±0.000 1.288 -0.004 1 2
CH3OCH3 Dimethyl ether rCH 1.099 ±0.001 1.095 -0.004 2 6
CH2O2 Dioxirane rOO 1.516 ±0.003 1.512 -0.004 4 5
CH3OC2H5 Ethane, methoxy- rCH 1.092 ±0.007 1.088 -0.004 4 11
N3 azide radical rNN 1.181   1.178 -0.004 1 2
FO Oxygen monofluoride rFO 1.354   1.351 -0.003 1 2
CH3COCl Acetyl Chloride rC=O 1.187   1.184 -0.003 1 3
C10H8 Azulene rC:C 1.405 ±0.001 1.401 -0.003 2 9
NH2BHNH2 diaminoborane rNH 1.005 ±0.005 1.002 -0.003 3 5
C4H8 cyclobutane rCH 1.091   1.088 -0.003 1 6
CH3OC2H5 Ethane, methoxy- rCH 1.100 ±0.003 1.097 -0.003 3 8
BeH beryllium monohydride rBeH 1.343   1.340 -0.003 1 2
C4H6 Cyclobutene rCC 1.517   1.514 -0.003 1 3
CH2NN diazomethane rC=N 1.300   1.297 -0.003 1 2
CH3OCHO methyl formate rCH 1.086   1.083 -0.003 1 5
NS Mononitrogen monosulfide rNS 1.497 ±0.000 1.494 -0.003 1 2
C3H6O 2-Propen-1-ol rCH 1.096 ±0.030 1.093 -0.003 1 5
CH3OC2H5 Ethane, methoxy- rCO 1.415 ±0.005 1.412 -0.003 1 2
CH2CHF Ethene, fluoro- rCH 1.082   1.079 -0.003 1 4
C2H2 Acetylene rCH 1.063   1.061 -0.003 1 3
BrO Bromine monoxide rOBr 1.718   1.715 -0.002 1 2
HSiCl Chlorosilylene rSiH 1.525 ±0.005 1.523 -0.002 1 3
C4H6 Cyclobutene rCH 1.083   1.081 -0.002 1 5
C3H4 cyclopropene rCH 1.088   1.086 -0.002 1 6
CH3NO nitrosomethane rCH 1.092   1.090 -0.002 1 5
CH Methylidyne rCH 1.120   1.118 -0.002 1 2
C2H5F fluoroethane rCH 1.090 ±0.007 1.088 -0.002 2 7
NH2F monofluoroamine rNF 1.433   1.431 -0.002 1 2
LiH Lithium Hydride rLiH 1.595 ±0.000 1.593 -0.002 1 2
SiHCl3 Trichlorosilane rSiH 1.464   1.462 -0.002 1 2
C10H8 Azulene rCH 1.084   1.082 -0.002 4 14
CH3CH(CH3)CH3 Isobutane rCH 1.092   1.090 -0.002 3 9
C3H3NO Oxazole rCO 1.357 ±0.003 1.356 -0.002 1 2
HO2 Hydroperoxy radical rOO 1.331   1.329 -0.002 1 2
FNO2 Nitryl fluoride rN=O 1.180 ±0.005 1.179 -0.001 1 3
H2 Hydrogen diatomic rHH 0.741   0.740 -0.001 1 2
CH2NN diazomethane rN=N 1.139   1.138 -0.001 2 3
CH2NN diazomethane rCH 1.075   1.074 -0.001 1 4
C3H3NO Oxazole rCH 1.075 ±0.001 1.074 -0.001 4 7
C3H3NO Oxazole rCH 1.073 ±0.001 1.072 -0.001 5 8
HNCNH diiminomethane rC=N 1.224 ±0.001 1.223 -0.001 1 2
HCCCN Cyanoacetylene rCH 1.062 ±0.001 1.061 -0.001 4 5
CH3CH2Cl Ethyl chloride rCH 1.086   1.085 -0.001 2 7
C10H8 Azulene rCH 1.080   1.078 -0.001 9 17
HOBr Hypobromous acid rBrO 1.834   1.833 -0.001 2 3
C2H5F fluoroethane rCH 1.091 ±0.007 1.090 -0.001 2 6
CH3CHClCH3 Propane, 2-chloro- rCH 1.092   1.091 -0.001 3 6
SiH3F monofluorosilane rSiH 1.476   1.475 -0.001 1 3
NH2BHNH2 diaminoborane rBH 1.193 ±0.001 1.192 -0.001 1 2
CH3CHFCH3 2-Fluoropropane rCH 1.092   1.091 -0.001 1 3
C3H3NO Oxazole rCH 1.075 ±0.001 1.074 -0.001 2 6
SiH3Cl chlorosilane rSiH 1.475   1.474 -0.001 1 3
NH2SH Thiohydroxylamine rSH 1.344 ±0.029 1.343 -0.001 2 3
SiH4 Silane rSiH 1.480 ±0.000 1.479 0.000 1 2
CH4 Methane rCH 1.087 ±0.001 1.087 0.000 1 2
NO Nitric oxide rN=O 1.154 ±0.000 1.153 0.000 1 2
C3F6 hexafluoropropene rC=C 1.329 ±0.003 1.329 0.000 1 2
C2H2+ acetylene cation rCH 1.077 ±0.005 1.077 0.000 1 3
C2H2 Acetylene rC#C 1.203   1.202 0.000 1 2
C2H3Cl Ethene, chloro- rCH 1.079   1.079 0.000 2 5
CH3CHO Acetaldehyde rCH 1.086   1.086 0.000 2 5
CH3Br methyl bromide rCH 1.082 ±0.001 1.082 0.000 1 3
C3H3NO Oxazole rCO 1.370 ±0.002 1.370 0.000 1 5
CH3CCH propyne rCH 1.060   1.060 0.000 3 4
BF Boron monofluoride rBF 1.267 ±0.000 1.267 0.000 1 2
LiNH2 lithium amide rLiN 1.736 ±0.003 1.736 0.000 1 2
CH3CH2CHO Propanal rCC 1.523   1.523 0.000 1 2
CH3OC2H5 Ethane, methoxy- rCH 1.089 ±0.008 1.089 0.000 4 10
CH3CHS Thioacetaldehyde rCH 1.089   1.089 0.000 1 4
CH3OCH3 Dimethyl ether rCO 1.411 ±0.001 1.411 0.000 1 2
CH3CH2Cl Ethyl chloride rCH 1.090   1.091 0.001 1 3
CH3OC2H5 Ethane, methoxy- rCH 1.086 ±0.010 1.087 0.001 1 5
CH3ONO Methyl nitrite rCO 1.437   1.438 0.001 1 2
H2CSe Selenoformaldehyde rC=Se 1.753   1.754 0.001 1 2
NO+ nitric oxide cation rN=O 1.066   1.066 0.001 1 2
OCSe Carbonyl selenide rC=O 1.159   1.160 0.001 1 2
CF Fluoromethylidyne rCF 1.276   1.277 0.001 1 2
C3H4 cyclopropene rCH 1.072   1.073 0.001 2 4
CN Cyano radical rC#N 1.172   1.173 0.001 1 2
BN boron nitride rB=N 1.325   1.326 0.001 1 2
CH3OCH3 Dimethyl ether rCH 1.085 ±0.001 1.086 0.001 2 4
H2Se Hydrogen selenide rSeH 1.460   1.461 0.001 1 2
CH3CH2OH Ethanol rCH 1.088   1.089 0.001 1 5
CO+ carbon monoxide cation rC=O 1.115 ±0.000 1.117 0.001 1 2
CH3ONO Methyl nitrite rN=O 1.182   1.184 0.002 6 7
CH2CHF Ethene, fluoro- rCH 1.077   1.079 0.002 2 5
CH3NHCH3 Dimethylamine rCH 1.098   1.100 0.002 3 5
CH3CHFCH3 2-Fluoropropane rCH 1.088 ±0.006 1.090 0.002 4 6
CH2CO Ketene rC=O 1.162   1.164 0.002 2 3
N2 Nitrogen diatomic rN#N 1.098   1.100 0.002 1 2
CH2O2 Dioxirane rCO 1.388 ±0.004 1.390 0.002 1 4
CCl2O Phosgene rC=O 1.177   1.179 0.002 1 2
CH3NC methyl isocyanide rC#N 1.166 ±0.003 1.168 0.002 2 3
CH3NH2 methyl amine rCH 1.093 ±0.000 1.095 0.002 1 3
CN- cyanide anion rC#N 1.177 ±0.004 1.179 0.002 1 2
C10H8 Azulene rCH 1.081   1.084 0.002 1 11
C3H6O 2-Propen-1-ol rCH 1.078 ±0.010 1.080 0.002 3 8
C10H8 naphthalene rC:C 1.410   1.412 0.002 2 3
C10H8 Azulene rCH 1.083   1.085 0.002 5 15
C2H5F fluoroethane rCF 1.398 ±0.007 1.400 0.002 1 3
HBr+ hydrogen bromide cation rHBr 1.448   1.451 0.002 1 2
OH- hydroxide anion rOH 0.964   0.967 0.003 1 2
GeH germylidene rGeH 1.588   1.591 0.003 1 2
PH phosphorus monohydride rPH 1.422   1.425 0.003 1 2
C2H5F fluoroethane rCC 1.505 ±0.007 1.508 0.003 1 2
CS carbon monosulfide rC#S 1.535   1.538 0.003 1 2
H2O Water rOH 0.958 ±0.000 0.961 0.003 1 2
SOCl2 thionyl chloride rS=O 1.443 ±0.006 1.446 0.003 1 2
HS- mercapto anion rSH 1.343   1.346 0.003 1 2
CH2F2 Methane, difluoro- rCH 1.084 ±0.003 1.087 0.003 1 2
CH3OCl methyl hypochlorite rCH 1.086 ±0.018 1.089 0.003 3 5
HBr hydrogen bromide rHBr 1.414 ±0.000 1.418 0.003 1 2
H2CS Thioformaldehyde rC=S 1.611   1.614 0.003 1 2
C3H6 Cyclopropane rCC 1.501   1.504 0.003 1 2
HO2 Hydroperoxy radical rOH 0.971   0.974 0.004 1 3
AsH3 Arsine rAsH 1.511 ±0.000 1.514 0.004 1 2
HS Mercapto radical rSH 1.341   1.345 0.004 1 2
C2H3 vinyl rCH 1.085   1.089 0.004 2 4
HOBr Hypobromous acid rOH 0.961   0.965 0.004 1 2
KrH+ Protonated Krypton rHKr 1.421 ±0.000 1.426 0.004 1 2
DS Mercapto-d rSD 1.341   1.345 0.004 1 2
CH3OCHO methyl formate rCO 1.437   1.441 0.004 1 2
CH3NHCH3 Dimethylamine rCH 1.084   1.089 0.005 3 9
CO Carbon monoxide rC#O 1.128 ±0.000 1.133 0.005 1 2
OCSe Carbonyl selenide rC=Se 1.709   1.714 0.005 1 3
CH2CHCH2CH3 1-Butene rCC 1.493   1.498 0.005 2 3
HCl Hydrogen chloride rHCl 1.275 ±0.000 1.280 0.005 1 2
ClF Chlorine monofluoride rFCl 1.628 ±0.000 1.633 0.005 1 2
SiH3+ Silyl cation rSiH 1.460 ±0.010 1.465 0.005 1 2
HF Hydrogen fluoride rHF 0.917 ±0.000 0.922 0.005 1 2
CH3OCHO methyl formate rCO 1.334   1.339 0.005 2 3
BO boron monoxide rB=O 1.205   1.210 0.005 1 2
C4H8O2 Ethyl acetate rCO 1.345   1.351 0.006 2 3
C4H8O2 Ethyl acetate rC=O 1.203   1.209 0.006 2 4
SiH Silylidyne rSiH 1.520   1.526 0.006 1 2
HCl+ hydrogen chloride cation rHCl 1.315   1.321 0.006 1 2
LiOH lithium hydroxide rLiO 1.582   1.588 0.006 1 2
SiH2F2 difluorosilane rSiH 1.462   1.468 0.006 1 4
HOCl hypochlorous acid rClO 1.697 ±0.001 1.704 0.007 1 3
CH3CSNH2 Ethanethioamide rC=S 1.647 ±0.002 1.654 0.007 1 2
SCSe Carbon sulfide selenide rC=S 1.553 ±0.002 1.560 0.007 1 2
SiH+ silicon monohydride cation rSiH 1.504   1.511 0.007 1 2
O2+ diatomic oxygen cation rOO 1.116   1.123 0.007 1 2
MgH magnesium monohydride rMgH 1.730   1.737 0.007 1 2
SCSe Carbon sulfide selenide rC=Se 1.695 ±0.002 1.702 0.007 1 3
NH3BF3 Amminetrifluoroboron rBN 1.673   1.680 0.007 1 2
LiO lithium oxide rLiO 1.688   1.696 0.008 1 2
HNO3 Nitric acid rNO 1.406   1.414 0.008 1 2
O2 Oxygen diatomic rO=O 1.208   1.215 0.008 1 2
CH3CH2OH Ethanol rCH 1.086   1.094 0.008 2 8
C3H7N Cyclopropylamine rCH 1.080   1.088 0.008 1 2
NH2CONH2 Urea rNH 0.998   1.006 0.008 4 8
ClCN chlorocyanogen rCCl 1.629   1.637 0.008 1 2
CSe2 Carbon diselenide rC=Se 1.692 ±0.000 1.701 0.009 1 2
NO- nitric oxide anion rN=O 1.258 ±0.010 1.267 0.009 1 2
SiP Silicon monophosphide rSiP 2.078 ±0.002 2.086 0.009 1 2
GeH3F monofluorogermane rGeH 1.515 ±0.000 1.523 0.009 1 3
CSe Carbon monoselenide rC=Se 1.676 ±0.000 1.686 0.009 1 2
LiCl lithium chloride rLiCl 2.021 ±0.000 2.030 0.009 1 2
CH2Br2 dibromomethane rCBr 1.925 ±0.002 1.935 0.010 1 4
CH3ONO Methyl nitrite rNO 1.398   1.408 0.010 2 6
C10H8 Azulene rC:C 1.484   1.494 0.010 7 8
CHF3 Methane, trifluoro- rCF 1.328 ±0.003 1.339 0.010 1 3
C10H8 Azulene rC:C 1.377   1.387 0.010 5 7
CH3OC2H5 Ethane, methoxy- rCO 1.407 ±0.004 1.417 0.010 2 3
BrF Bromine monofluoride rFBr 1.759 ±0.000 1.769 0.010 1 2
CH2F2 Methane, difluoro- rCF 1.351 ±0.001 1.361 0.011 1 4
SeCl2 Selenium Dichloride rClSe 2.157 ±0.003 2.168 0.011 1 2
CuH Copper monohydride rCuH 1.463   1.474 0.011 1 2
CH2Cl2 Methylene chloride rCCl 1.767 ±0.002 1.779 0.012 1 4
LiBr Lithium Bromide rLiBr 2.170 ±0.000 2.182 0.012 1 2
CrH Chromium hydride rHCr 1.655 ±0.001 1.667 0.012 1 2
CH2ClCH2Cl Ethane, 1,2-dichloro- rCCl 1.790   1.803 0.013 1 3
CH3Br methyl bromide rCBr 1.934 ±0.000 1.947 0.013 1 2
As4 Arsenic tetramer rAsAs 2.435   2.448 0.013 1 2
C2 Carbon diatomic rC=C 1.243   1.256 0.013 1 2
CHBr3 bromoform rCBr 1.924 ±0.005 1.938 0.014 1 3
LiF lithium fluoride rLiF 1.564 ±0.000 1.578 0.014 1 2
PN Phosphorus mononitride rP#N 1.491   1.505 0.014 1 2
C2H6O2S Dimethyl sulfone rCS 1.777 ±0.006 1.791 0.014 1 4
PS phosphorus sulfide rP=S 1.900   1.914 0.014 1 2
SeO Selenium monoxide rSeO 1.639 ±0.001 1.654 0.015 1 2
C3H5 Allyl radical rCH 1.069   1.084 0.015 1 2
PF5 Phosphorus pentafluoride rFP 1.577   1.592 0.015 1 5
N(CH3)3 Trimethylamine rCH 1.088   1.103 0.015 2 5
C2H Ethynyl radical rCH 1.047   1.061 0.015 1 3
NCl nitrogen monochloride rNCl 1.611 ±0.000 1.626 0.015 1 2
P2 Phosphorus diatomic rP#P 1.893   1.909 0.015 1 2
OPCl Phosphorus oxychloride rP=O 1.462 ±0.011 1.478 0.016 1 2
CCl2O Phosgene rCCl 1.737   1.753 0.016 2 3
SeO2 Selenium dioxide rSeO 1.607 ±0.001 1.624 0.017 1 2
GeH3F monofluorogermane rGeF 1.731 ±0.000 1.748 0.017 1 2
AsF3 Arsenic trifluoride rAsF 1.706 ±0.002 1.723 0.017 1 2
SF Monosulfur monofluoride rSF 1.599   1.617 0.017 1 2
B2 Boron diatomic rBB 1.590   1.607 0.017 1 2
GeO Germanium monoxide rOGe 1.625   1.642 0.017 1 2
AsF Arsenic monofluoride rFAs 1.736 ±0.001 1.753 0.017 1 2
AlNC Aluminum isocyanide rAlN 1.855 ±0.005 1.872 0.018 1 2
SO+ sulfur monoxide cation rO=S 1.424   1.442 0.018 1 2
SiO Silicon monoxide rSiO 1.510 ±0.000 1.528 0.018 1 2
GeF+ Germanium monofluoride cation rFGe 1.665 ±0.000 1.684 0.019 1 2
GeBr4 Germanium tetrabromide rGeBr 2.272 ±0.001 2.291 0.019 1 2
GeS Germanium monosulfide rS=Ge 2.012 ±0.000 2.031 0.019 1 2
SiS silicon monosulfide rSiS 1.929 ±0.000 1.948 0.019 1 2
SCl2 Sulfur dichloride rSCl 2.013 ±0.001 2.032 0.019 1 2
GeF Germanium monofluoride rFGe 1.745   1.764 0.019 1 2
Se2 Selenium diatomic rSe=Se 2.166 ±0.001 2.185 0.019 1 2
PO Phosphorus monoxide rP=O 1.476   1.495 0.019 1 2
C3O2 Carbon suboxide rC=O 1.146   1.165 0.019 2 4
GaF Gallium monofluoride rFGa 1.774 ±0.000 1.794 0.020 1 2
PF5 Phosphorus pentafluoride rPF 1.534   1.554 0.020 1 2
Br2 Bromine diatomic rBrBr 2.281   2.301 0.020 1 2
NaLi lithium sodium rLiNa 2.889   2.909 0.020 1 2
SiH3F monofluorosilane rSiF 1.595   1.615 0.020 1 2
CH2FCl fluorochloromethane rCCl 1.762 ±0.000 1.783 0.020 1 3
BrCl Bromine monochloride rClBr 2.136 ±0.000 2.157 0.021 1 2
AlC Aluminum carbide rC=Al 1.955   1.976 0.021 1 2
PF2 Phosphorus difluoride rPF 1.579   1.601 0.021 1 2
SiH3Cl chlorosilane rSiCl 2.051   2.072 0.022 1 2
C5H8O Cyclopentanone rCC 1.504   1.526 0.022 2 3
HSSSH trisulfane rSS 2.054 ±0.000 2.076 0.022 1 2
C3O2 Carbon suboxide rC=C 1.251   1.273 0.022 1 2
SO Sulfur monoxide rS=O 1.481   1.504 0.023 1 2
SiF silicon monofluoride rSiF 1.604   1.628 0.023 1 2
SCl sulfur monochloride rSCl 1.975   1.999 0.024 1 2
SF4 Sulfur tetrafluoride rSF 1.545 ±0.003 1.569 0.024 1 4
S2 Sulfur diatomic rS=S 1.889   1.913 0.024 1 2
SiH2Cl2 dichlorosilane rSiCl 2.033 ±0.003 2.057 0.024 1 4
SOF4 Sulfur tetrafluoride oxide rFS 1.596 ±0.003 1.620 0.024 1 3
GeCl Germanium monochloride rClGe 2.164 ±0.000 2.189 0.025 1 2
Cl2 Chlorine diatomic rClCl 1.988   2.014 0.026 1 2
SiF2 Silicon difluoride rFSi 1.590 ±0.000 1.616 0.026 1 2
CH3COCl Acetyl Chloride rCCl 1.798   1.824 0.026 1 4
SSO Disulfur monoxide rS=O 1.456   1.483 0.027 1 2
Cl2+ chlorine diatomic cation rClCl 1.892   1.919 0.027 1 2
AlF Aluminum monofluoride rAlF 1.654 ±0.000 1.682 0.027 1 2
SiCl Clorosilylidyne rSiCl 2.061 ±0.000 2.089 0.027 1 2
SOF4 Sulfur tetrafluoride oxide rFS 1.539 ±0.003 1.567 0.028 1 5
SiBr+ Silicon monobromide cation rSiBr 2.095 ±0.000 2.123 0.028 1 2
SiHCl3 Trichlorosilane rSiCl 2.020   2.048 0.028 1 3
C2H6O2S Dimethyl sulfone rS=O 1.431 ±0.004 1.459 0.028 1 2
SF4 Sulfur tetrafluoride rSF 1.646 ±0.003 1.674 0.028 1 2
SSO Disulfur monoxide rS=S 1.884   1.913 0.029 2 3
He2+ helium diatomic cation rHeHe 1.081 ±0.001 1.110 0.029 1 2
GaBr Gallium monobromide rGaBr 2.352 ±0.000 2.382 0.030 1 2
FNO2 Nitryl fluoride rNF 1.467 ±0.015 1.497 0.030 1 2
C3H4O Cyclopropanone rCC 1.575   1.605 0.030 3 4
NaCl Sodium Chloride rNaCl 2.361 ±0.000 2.392 0.031 1 2
HSiCl Chlorosilylene rSiCl 2.067 ±0.003 2.098 0.031 1 2
GaAs Gallium arsenide rGa#As 2.530 ±0.020 2.563 0.033 1 2
AlCl Aluminum monochloride rAlCl 2.130 ±0.000 2.164 0.033 1 2
NaF sodium fluoride rNaF 1.926 ±0.000 1.960 0.034 1 2
OPCl Phosphorus oxychloride rPCl 2.059 ±0.004 2.094 0.035 1 3
AlBr Aluminum monobromide rAlBr 2.295   2.333 0.038 1 2
CFCl chlorofluoromethylene rCCl 1.714   1.754 0.040 1 3
ClOF3 Chlorine trifluoride oxide rFCl 1.713 ±0.003 1.757 0.044 1 4
ClOF3 Chlorine trifluoride oxide rFCl 1.603 ±0.004 1.651 0.048 1 3
C4H8O2 Ethyl acetate rCO 1.448   1.510 0.062 5 6
Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- rAlCl 2.040 ±0.040 2.284 0.244 1 3
C4H10O Methyl propyl ether rCH 1.099   1.412 0.313 1 2
358 molecules.