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Release 17bSeptember 2015
NIST Standard Reference Database 101
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IV.D.8.

Average Bond Length Differences by Model Chemistry

Calculated at QCISD/cc-pVDZ

Species Name Bond type Bond Length (Å)
Experimental unc. Calculated Difference atom1 atom2
Si2 Silicon diatomic rSiSi 2.246   2.197 -0.049 1 2
C6H6 Fulvene rCH 1.130 ±0.030 1.096 -0.034 2 7
C5H6 Bicyclo[2.1.0]pent-2-ene rCC 1.560   1.527 -0.033 3 5
C2Cl2 dichloroacetylene rC#C 1.246 ±0.030 1.218 -0.028 1 2
C5H8 Bicyclo[2.1.0]pentane rCC 1.536   1.513 -0.023 1 5
C3H8O2 1,3-Propanediol rOH 0.980   0.965 -0.015 6 8
N2O3 Dinitrogen trioxide rN=O 1.217   1.204 -0.013 2 5
LiOH lithium hydroxide rOH 0.969   0.957 -0.012 1 3
C7H16 heptane rCH 1.121 ±0.007 1.110 -0.011 1 8
HF+ hydrogen fluoride cation rHF 1.014   1.006 -0.008 1 2
CH3OCl methyl hypochlorite rHC 1.111 ±0.018 1.104 -0.007 3 4
C9H8 Indene rCC 1.415 ±0.170 1.408 -0.007 1 2
CH2FCl fluorochloromethane rCF 1.370 ±0.001 1.363 -0.007 1 2
C2H5F fluoroethane rCF 1.398 ±0.007 1.392 -0.006 1 3
CF3COOH trifluoroacetic acid rCC 1.546 ±0.005 1.542 -0.004 1 2
CH3SeH Methane selenol rHSe 1.473 ±0.020 1.470 -0.003 1 3
HClO4 perchloric acid rHO 0.980   0.977 -0.003 3 6
CH2CHCHO Acrolein rC=O 1.219 ±0.005 1.216 -0.003 1 4
ArH+ Argon hydride cation rHAr 1.292 ±0.000 1.289 -0.003 1 2
SiH2Cl2 dichlorosilane rSiH 1.480 ±0.015 1.478 -0.002 1 2
CH3NH2 methyl amine rCN 1.471 ±0.003 1.470 -0.001 1 2
CH2O2 Dioxirane rOO 1.516 ±0.003 1.515 -0.001 4 5
CH3OCH3 Dimethyl ether rCO 1.411 ±0.001 1.411 -0.000 1 2
HSe Selenium monohydride rHSe 1.475 ±0.010 1.475 -0.000 1 2
CH3CH(NH2)COOH Alanine rCC 1.544   1.544 0.000 3 4
C7H16 heptane rCC 1.534   1.535 0.001 1 2
CH2O2 Dioxirane rCO 1.388 ±0.004 1.389 0.001 1 4
O2 Oxygen diatomic rO=O 1.208   1.208 0.001 1 2
O2+ diatomic oxygen cation rOO 1.116   1.118 0.001 1 2
DF Hydrofluoric acid-d rDF 0.917 ±0.000 0.919 0.002 1 2
C5H6 Bicyclo[2.1.0]pent-2-ene rCC 1.530   1.532 0.002 1 3
AsH Arsenic monohydride rHAs 1.535 ±0.001 1.537 0.002 1 2
HO2 Hydroperoxy radical rOO 1.331   1.333 0.002 1 2
CH2Cl chloromethyl radical rHC 1.090 ±0.010 1.092 0.002 1 3
HF Hydrogen fluoride rHF 0.917 ±0.000 0.919 0.003 1 2
CH2CHCH2CH3 1-Butene rCC 1.536   1.539 0.003 1 2
OCSe Carbonyl selenide rC=O 1.159   1.162 0.003 1 2
C5H8 Cyclopentene rCC 1.518   1.522 0.004 2 4
N2O3 Dinitrogen trioxide rN=O 1.202   1.206 0.004 2 4
C8H8 cubane rCH 1.097   1.101 0.004 1 9
CH2NH Methanimine rCH 1.103   1.107 0.004 1 3
SH+ sulfur monohydride cation rHS 1.374   1.379 0.004 1 2
CH2CHCHO Acrolein rC=C 1.345 ±0.003 1.349 0.004 2 3
B2H6 Diborane rBH 1.200   1.205 0.005 1 5
CH2CHCl Ethene, chloro- rCH 1.090   1.095 0.005 1 4
C2HF3 Trifluoroethylene rCF 1.316 ±0.011 1.321 0.005 1 3
He2+ helium dimer cation rHeHe 1.081 ±0.001 1.086 0.005 1 2
C6H6 Fulvene rC=C 1.349 ±0.002 1.354 0.005 1 2
PH+ phosphorus monohydride cation rHP 1.435   1.441 0.006 1 2
C5H8 Bicyclo[2.1.0]pentane rCC 1.565   1.571 0.006 3 4
HBr+ hydrogen bromide cation rHBr 1.448   1.454 0.006 1 2
CH3NH2 methyl amine rNH 1.018 ±0.001 1.024 0.006 2 6
CH3CH2OH Ethanol rCH 1.098   1.104 0.006 1 6
CH3NC methyl isocyanide rCN 1.426 ±0.003 1.433 0.007 1 2
HO2 Hydroperoxy radical rOH 0.971   0.978 0.007 1 3
NaF sodium fluoride rNaF 1.926 ±0.000 1.933 0.007 1 2
H2O Water rOH 0.958 ±0.000 0.965 0.007 1 2
C5H10 Cyclopropane, 1,1-dimethyl- rCC 1.514   1.521 0.007 1 4
CH2PH H2CPH rCH 1.090 ±0.015 1.098 0.008 1 3
CH3CCH propyne rCH 1.096   1.104 0.008 1 5
P2H4 H2PPH2 rPH 1.417   1.425 0.008 1 3
C6H6 Fulvene rC=C 1.355 ±0.004 1.363 0.008 3 5
CH3NC methyl isocyanide rCH 1.094   1.102 0.008 1 4
C5H8 Cyclobutane, methylene- rCC 1.524   1.532 0.008 1 3
CH3NHCH3 Dimethylamine rCH 1.098   1.106 0.008 3 7
C4H6O Cyclobutanone rCC 1.556   1.564 0.008 3 5
LiCl- lithium chloride anion rLiCl 2.180   2.188 0.008 1 2
CH2CO Ketene rCH 1.083   1.091 0.008 1 4
SiH3F monofluorosilane rSiH 1.476   1.484 0.008 1 3
HBr hydrogen bromide rHBr 1.414 ±0.000 1.423 0.009 1 2
CH3CHO Acetaldehyde rCH 1.114   1.123 0.009 1 4
H2Se Hydrogen selenide rHSe 1.460   1.469 0.009 1 2
CH2NN diazomethane rC=N 1.300   1.309 0.009 1 2
DO Hydroxyl-d rDO 0.970   0.979 0.009 1 2
OH Hydroxyl radical rOH 0.970   0.979 0.009 1 2
CH2PH H2CPH rCH 1.090 ±0.015 1.099 0.009 1 4
CH3CHS Thioacetaldehyde rCH 1.098   1.107 0.009 2 6
NS Mononitrogen monosulfide rNS 1.497 ±0.000 1.506 0.009 1 2
SiH3Cl chlorosilane rSiH 1.475   1.484 0.009 1 3
C6H8 1,4-Cyclohexadiene rCH 1.100   1.110 0.010 1 11
CH2CHCHO Acrolein rCH 1.086 ±0.007 1.096 0.010 3 7
CH2 Methylene rCH 1.085   1.095 0.010 1 2
BH+ boron monohydride cation rHB 1.215   1.224 0.010 1 2
P2H4 H2PPH2 rPH 1.414   1.424 0.010 1 4
SiH4 Silane rSiH 1.480 ±0.000 1.490 0.010 1 2
CH2O2 Dioxirane rCH 1.090 ±0.002 1.101 0.010 1 2
CH2FCl fluorochloromethane rCH 1.090 ±0.010 1.101 0.011 1 4
HNCO Isocyanic acid rC=O 1.164   1.174 0.011 3 4
C4H6S Thiophene, 2,5-dihydro- rCH 1.095   1.106 0.011 2 6
N3 azide radical rNN 1.181   1.192 0.011 1 2
HOBr Hypobromous acid rOH 0.961   0.972 0.011 1 2
MgOH magnesium hydroxide rMgO 1.767   1.778 0.011 1 2
C5H7N Cyclobutanecarbonitrile rCC 1.551   1.562 0.011 3 6
CH2CO Ketene rC=O 1.162   1.173 0.011 2 3
C2H5F fluoroethane rCH 1.095 ±0.007 1.106 0.011 1 4
NF nitrogen fluoride rNF 1.317   1.328 0.011 1 2
CF3COOH trifluoroacetic acid rC=O 1.192 ±0.003 1.203 0.011 2 4
CH3CHS Thioacetaldehyde rCH 1.090   1.102 0.012 2 5
N2O3 Dinitrogen trioxide rN=O 1.142   1.154 0.012 1 3
C3H8 Propane rCH 1.096   1.108 0.012 1 4
ScH Scandium monohydride rHSc 1.775 ±0.000 1.787 0.012 1 2
NH+ imidogen cation rHN 1.070 ±0.001 1.082 0.012 1 2
C4H8 cyclobutane rCH 1.093   1.105 0.012 1 5
CH2NN diazomethane rN=N 1.139   1.151 0.012 2 3
NO Nitric oxide rN=O 1.154 ±0.000 1.166 0.012 1 2
C5H8 Bicyclo[2.1.0]pentane rCC 1.528   1.540 0.012 1 3
HCl+ hydrogen chloride cation rHCl 1.315   1.327 0.012 1 2
BeH2 beryllium dihydride rHBe 1.326 ±0.000 1.339 0.012 1 2
CH2CHCHO Acrolein rCH 1.086 ±0.007 1.098 0.012 3 8
GeH germylidene rHGe 1.588   1.600 0.012 1 2
AsH3 Arsine rHAs 1.511 ±0.000 1.523 0.012 1 2
C3H6 Cyclopropane rCH 1.083   1.095 0.012 1 4
CH3OCH3 Dimethyl ether rCH 1.099 ±0.001 1.112 0.013 2 6
C4H8 cyclobutane rCH 1.091   1.104 0.013 1 6
C2H Ethynyl radical rC#C 1.217   1.229 0.013 1 2
CO+ carbon monoxide cation rC=O 1.115 ±0.000 1.128 0.013 1 2
CH2CHCHO Acrolein rCH 1.084 ±0.005 1.097 0.013 2 6
B2H6 Diborane rBH 1.320   1.333 0.013 1 3
ClCN chlorocyanogen rC#N 1.161   1.174 0.013 2 3
C2H5N Aziridine rCH 1.083   1.096 0.013 3 5
AlH aluminum monohydride rAlH 1.648   1.661 0.013 1 2
BO boron monoxide rB=O 1.205   1.218 0.013 1 2
CO Carbon monoxide rC#O 1.128 ±0.000 1.142 0.013 1 2
CN Cyano radical rC#N 1.172   1.185 0.013 1 2
C2H5N Aziridine rCH 1.084   1.097 0.013 3 6
CH2NN diazomethane rHC 1.075   1.088 0.013 1 4
CH2CHF Ethene, fluoro- rCH 1.082   1.096 0.014 1 4
C6H6 Fulvene rCH 1.080 ±0.005 1.094 0.014 5 11
C2H5F fluoroethane rCH 1.090 ±0.007 1.104 0.014 2 7
C2H5F fluoroethane rCH 1.091 ±0.007 1.105 0.014 2 6
MgOH magnesium hydroxide rOH 0.940   0.954 0.014 1 3
MgH magnesium monohydride rMgH 1.730   1.744 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
C3H4 cyclopropene rCH 1.088   1.102 0.014 1 6
F2O Difluorine monoxide rFO 1.405   1.419 0.014 1 2
CH2CHCHO Acrolein rCH 1.108 ±0.005 1.122 0.014 1 5
C2H2 Acetylene rCH 1.063   1.078 0.015 1 3
C2H5F fluoroethane rCC 1.505 ±0.007 1.520 0.015 1 2
C6H6 Fulvene rCH 1.078 ±0.005 1.093 0.015 3 9
BeH beryllium monohydride rBeH 1.343   1.358 0.015 1 2
C6H6 Fulvene rCC 1.476 ±0.008 1.491 0.015 5 6
SiH+ silicon monohydride cation rHSi 1.504   1.520 0.015 1 2
CH3CH2Cl Ethyl chloride rCH 1.090   1.106 0.016 1 3
CF Fluoromethylidyne rCF 1.276   1.292 0.016 1 2
CH3CHO Acetaldehyde rCH 1.086   1.102 0.016 2 5
CH4 Methane rCH 1.087 ±0.001 1.103 0.016 1 2
CH3CH2Cl Ethyl chloride rCH 1.086   1.102 0.016 2 7
CH2CHCl Ethene, chloro- rCH 1.079   1.095 0.016 2 5
C3H3NO Oxazole rCO 1.357   1.374 0.016 1 5
HCCCN Cyanoacetylene rCH 1.062 ±0.001 1.079 0.016 4 5
N2 Nitrogen diatomic rN#N 1.098   1.114 0.016 1 2
HNCNH diiminomethane rC=N 1.224 ±0.001 1.241 0.016 1 2
C5H10 Cyclopropane, 1,1-dimethyl- rCH 1.080   1.096 0.016 2 6
CH3Br methyl bromide rCBr 1.934 ±0.000 1.950 0.016 1 2
CSe2 Carbon diselenide rC=Se 1.692 ±0.000 1.709 0.016 1 2
C3H6 Cyclopropane rCC 1.501   1.517 0.016 1 2
CH3CHS Thioacetaldehyde rCH 1.089   1.106 0.017 1 4
SH Mercapto radical rSH 1.341   1.358 0.017 1 2
CH3CH2OH Ethanol rCH 1.088   1.105 0.017 1 5
BN boron nitride rB=N 1.325   1.342 0.017 1 2
CH3Br methyl bromide rCH 1.082 ±0.001 1.099 0.017 1 3
DS Mercapto-d rSD 1.341   1.358 0.017 1 2
C6H6 Fulvene rCC 1.470 ±0.004 1.487 0.017 1 3
C3H4 cyclopropene rCH 1.072   1.089 0.017 2 4
CH3CCH propyne rCH 1.060   1.077 0.017 3 4
CH3NHCH3 Dimethylamine rCH 1.098   1.115 0.017 3 5
CH3OCH3 Dimethyl ether rCH 1.085 ±0.001 1.102 0.017 2 4
CH2Br2 dibromomethane rCBr 1.925 ±0.002 1.942 0.017 1 4
CH2CHF Ethene, fluoro- rCH 1.077   1.094 0.017 2 5
CN- cyanide anion rC#N 1.177 ±0.004 1.195 0.018 1 2
BH3 boron trihydride rBH 1.190   1.208 0.018 1 2
NH Imidogen rNH 1.036   1.054 0.018 1 2
H2CS Thioformaldehyde rC=S 1.611   1.629 0.018 1 2
C2H3 vinyl rCH 1.085   1.104 0.019 2 4
BrF5 bromine pentafluoride rFBr 1.774 ±0.003 1.793 0.019 1 3
SiH Silylidyne rSiH 1.520   1.539 0.019 1 2
NS+ nitrogen sulfide cation rNS 1.440   1.459 0.019 1 2
LiOH lithium hydroxide rLiO 1.582   1.601 0.019 1 2
CH3NH2 methyl amine rCH 1.093 ±0.000 1.112 0.019 1 3
D2 Deuterium diatomic rDD 0.742   0.761 0.019 1 2
CH2CHCH2CH3 1-Butene rCC 1.493   1.512 0.019 2 3
H2 Hydrogen diatomic rHH 0.741   0.761 0.019 1 2
HD Deuterium hydride rDH 0.741   0.761 0.019 1 2
PH phosphorus monohydride rPH 1.422   1.442 0.020 1 2
BF3 Borane, trifluoro- rBF 1.307   1.327 0.020 1 2
CH3OCl methyl hypochlorite rHC 1.086 ±0.018 1.106 0.020 3 5
C4H6O Cyclobutanone rCC 1.527   1.547 0.020 2 3
NH2CONH2 Urea rNH 0.998   1.018 0.020 4 8
CH3NHCH3 Dimethylamine rCH 1.084   1.104 0.020 3 9
OH- hydroxide anion rOH 0.964   0.984 0.020 1 2
CH2CHCHO Acrolein rCC 1.470 ±0.003 1.491 0.021 1 2
FO Oxygen monofluoride rFO 1.354   1.375 0.021 1 2
F2 Fluorine diatomic rFF 1.412   1.433 0.021 1 2
CH3NC methyl isocyanide rC#N 1.166 ±0.003 1.187 0.021 2 3
SeO2 Selenium dioxide rSeO 1.607 ±0.001 1.628 0.021 1 2
C2H2 Acetylene rC#C 1.203   1.224 0.021 1 2
As2 Arsenic diatomic rAs#As 2.103   2.124 0.021 1 2
Se2 Selenium diatomic rSe=Se 2.166 ±0.001 2.187 0.021 1 2
CH3CH(NH2)COOH Alanine rCC 1.509   1.531 0.022 2 3
GaF Gallium monofluoride rFGa 1.774 ±0.000 1.796 0.022 1 2
CH Methylidyne rCH 1.120   1.142 0.022 1 2
P2+ phosphorus dimer cation rPP 1.986   2.008 0.022 1 2
BH Boron monohydride rBH 1.232   1.255 0.023 1 2
C2- carbon diatomic anion rC#C 1.268 ±0.000 1.291 0.023 1 2
NO- nitric oxide anion rN=O 1.258 ±0.010 1.281 0.023 1 2
OCSe Carbonyl selenide rC=Se 1.709   1.732 0.023 1 3
PN Phosphorus mononitride rP#N 1.491   1.514 0.023 1 2
CP Carbon monophosphide rC#P 1.562   1.585 0.023 1 2
BeCl beryllium chloride rBeCl 1.797   1.821 0.023 1 2
MgF Magnesium monofluoride rMgF 1.750   1.774 0.024 1 2
CH2FCl fluorochloromethane rCCl 1.762 ±0.000 1.786 0.024 1 3
MgH+ magnesium monohydride cation rHMg 1.652   1.676 0.024 1 2
LiH Lithium Hydride rLiH 1.595 ±0.000 1.619 0.024 1 2
AlH+ aluminum monohydride cation rHAl 1.602   1.627 0.025 1 2
As4 Arsenic tetramer rAsAs 2.435   2.460 0.025 1 2
CH3CH2OH Ethanol rCH 1.086   1.111 0.025 2 8
BCl boron monochloride rBCl 1.719 ±0.000 1.746 0.026 1 2
SiN Silicon nitride rSiN 1.575   1.601 0.026 1 2
LiF lithium fluoride rLiF 1.564 ±0.000 1.590 0.026 1 2
CS carbon monosulfide rC#S 1.535   1.562 0.027 1 2
SeO Selenium monoxide rSeO 1.639 ±0.001 1.668 0.028 1 2
BF Boron monofluoride rBF 1.267 ±0.000 1.295 0.028 1 2
C2 Carbon diatomic rC=C 1.243   1.271 0.028 1 2
BS boron sulfide rBS 1.609   1.638 0.029 1 2
PS phosphorus sulfide rP=S 1.900   1.929 0.029 1 2
ClCN chlorocyanogen rCCl 1.629   1.659 0.030 1 2
C3H5 Allyl radical rCH 1.069   1.099 0.030 1 2
BeS beryllium sulfide rBe=S 1.742   1.772 0.030 1 2
P2 Phosphorus diatomic rP#P 1.893   1.924 0.030 1 2
C2H Ethynyl radical rCH 1.047   1.078 0.032 1 3
S2+ sulfur dimer cation rS=S 1.825 ±0.010 1.858 0.033 1 2
MgCl magnesium monochloride rMgCl 2.199   2.232 0.033 1 2
GeF Germanium monofluoride rF-Ge 1.745   1.779 0.034 1 2
SOCl2 thionyl chloride rS=O 1.443 ±0.006 1.478 0.035 1 2
CCl2 dichloromethylene rCCl 1.711   1.746 0.035 1 2
SiS silicon monosulfide rSiS 1.929 ±0.000 1.965 0.036 1 2
SF4 Sulfur tetrafluoride rSF 1.646 ±0.003 1.683 0.037 1 2
C5H8 Bicyclo[2.1.0]pentane rCC 1.507   1.544 0.037 1 2
NaH sodium hydride rNaH 1.887 ±0.000 1.924 0.037 1 2
SO+ sulfur monoxide cation rO=S 1.424   1.462 0.038 1 2
LiO lithium oxide rLiO 1.688   1.726 0.038 1 2
PO Phosphorus monoxide rP=O 1.476   1.514 0.038 1 2
HOBr Hypobromous acid rBrO 1.834   1.873 0.039 2 3
S2 Sulfur diatomic rS=S 1.889   1.928 0.039 1 2
AsF Arsenic monofluoride rFAs 1.736 ±0.001 1.776 0.040 1 2
GeCl Germanium monochloride rCl-Ge 2.164 ±0.000 2.204 0.040 1 2
SiH3Cl chlorosilane rSiCl 2.051   2.091 0.040 1 2
SiP Silicon monophosphide rSiP 2.078 ±0.002 2.118 0.040 1 2
PO2 Phosphorus dioxide rP=O 1.467   1.508 0.041 1 2
NaCl Sodium Chloride rNaCl 2.361 ±0.000 2.403 0.042 1 2
CCl carbon monochloride rCCl 1.649   1.691 0.042 1 2
F2SO Thionyl Fluoride rO=S 1.413 ±0.000 1.455 0.042 1 2
SiH2Cl2 dichlorosilane rSiCl 2.033 ±0.003 2.075 0.042 1 4
B2 Boron diatomic rBB 1.590   1.633 0.043 1 2
MgS magnesium sulfide rMgS 2.143   2.186 0.043 1 2
SiO Silicon monoxide rSiO 1.510 ±0.000 1.553 0.043 1 2
HClO4 perchloric acid rO=Cl 1.414 ±0.001 1.457 0.043 1 2
SO Sulfur monoxide rS=O 1.481   1.526 0.044 1 2
HOCl hypochlorous acid rClO 1.691   1.736 0.046 1 3
SSO Disulfur monoxide rS=S 1.884   1.930 0.046 2 3
SSO Disulfur monoxide rS=O 1.456   1.503 0.046 1 2
AlC Aluminum carbide rC=Al 1.955   2.002 0.047 1 2
Cl2+ chlorine diatomic cation rClCl 1.892   1.939 0.047 1 2
AlS Aluminum sulfide rAlS 2.029   2.077 0.048 1 2
NaBr Sodium Bromide rNaBr 2.502 ±0.000 2.551 0.049 1 2
BrF Bromine monofluoride rFBr 1.759 ±0.000 1.809 0.050 1 2
SiCl Clorosilylidyne rSiCl 2.061 ±0.000 2.112 0.050 1 2
C2Cl2 dichloroacetylene rCCl 1.612 ±0.030 1.663 0.051 1 3
BeF Beryllium monofluoride rBeF 1.361   1.412 0.051 1 2
CaH Calcium monohydride rHCa 2.003 ±0.000 2.054 0.051 1 2
ClO Monochlorine monoxide rClO 1.596 ±0.001 1.648 0.052 1 2
Br2 Bromine diatomic rBrBr 2.281   2.333 0.052 1 2
AlCl Aluminum monochloride rAlCl 2.130 ±0.000 2.183 0.052 1 2
BrCl Bromine monochloride rClBr 2.136 ±0.000 2.190 0.054 1 2
SF Monosulfur monofluoride rSF 1.599   1.653 0.054 1 2
PCl phosphorus chloride rPCl 2.018   2.072 0.055 1 2
AlF Aluminum monofluoride rAlF 1.654 ±0.000 1.710 0.055 1 2
HClO4 perchloric acid rOCl 1.641 ±0.002 1.696 0.055 1 3
Li2 Lithium diatomic rLiLi 2.673   2.728 0.055 1 2
GaAs Gallium arsenide rGa#As 2.530 ±0.020 2.586 0.056 1 2
SF4 Sulfur tetrafluoride rSF 1.545 ±0.003 1.601 0.056 1 4
BeO beryllium oxide rBe=O 1.331   1.387 0.056 1 2
ClF Chlorine monofluoride rFCl 1.628 ±0.000 1.685 0.056 1 2
PO- phosphorus monoxide anion rOP 1.540   1.596 0.056 1 2
Cl2 Chlorine diatomic rClCl 1.988   2.046 0.058 1 2
F2SO Thionyl Fluoride rFS 1.585 ±0.000 1.643 0.058 1 3
SiH3F monofluorosilane rSiF 1.595   1.653 0.058 1 2
AlN Aluminum nitride rN#Al 1.786   1.846 0.059 1 2
MgO magnesium oxide rMgO 1.749   1.809 0.060 1 2
SCl sulfur monochloride rSCl 1.975   2.035 0.060 1 2
LiBr Lithium Bromide rLiBr 2.170 ±0.000 2.231 0.060 1 2
PF phosphorus monofluoride rFP 1.593   1.654 0.061 1 2
BrF5 bromine pentafluoride rFBr 1.689 ±0.008 1.751 0.062 1 2
LiCl lithium chloride rLiCl 2.021 ±0.000 2.083 0.062 1 2
AlO Aluminum monoxide rAlO 1.618   1.681 0.063 1 2
HClO4 perchloric acid rO=Cl 1.404 ±0.001 1.467 0.063 1 4
SiF silicon monofluoride rSiF 1.604   1.669 0.065 1 2
SiF2 Silicon difluoride rFSi 1.590 ±0.000 1.655 0.065 1 2
NCl nitrogen monochloride rNCl 1.611 ±0.000 1.677 0.066 1 2
PF+ phosphorus monofluoride cation rFP 1.500   1.569 0.069 1 2
BrO Bromine monoxide rOBr 1.718   1.790 0.073 1 2
NaLi lithium sodium rLiNa 2.889   2.968 0.079 1 2
Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- rAlCl 2.040 ±0.040 2.313 0.273 1 3
CH3OC2H5 Ethane, methoxy- rCH 1.087   1.410 0.323 1 2
C3H3NO Oxazole rCH 1.075   1.401 0.326 3 4
306 molecules.