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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 B2PLYP/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
CH3SCH2CH3 Ethane, (methylthio)- rCS 1.804   1.526 -0.278 5 8
CH3SCH2CH3 Ethane, (methylthio)- rCS 1.804   1.529 -0.275 8 9
B2 Boron diatomic rBB 1.590   1.434 -0.156 1 2
SiC silicon monocarbide rCSi 1.722   1.645 -0.077 1 2
LiCl- lithium chloride anion rLiCl 2.180   2.106 -0.074 1 2
C5H10 2-Pentene, (E)- rCC 1.576   1.523 -0.053 11 15
C6H6 Fulvene rCH 1.130 ±0.030 1.081 -0.049 2 7
C5H6 Bicyclo[2.1.0]pent-2-ene rCC 1.560   1.515 -0.045 3 5
C4H6 Methylenecyclopropane rCC 1.457   1.412 -0.045 2 5
C2Cl2 dichloroacetylene rC#C 1.246 ±0.030 1.203 -0.043 1 2
C5H8O Methyl cyclopropyl ketone rCH 1.126   1.085 -0.041 3 7
C5H8 Bicyclo[2.1.0]pentane rCC 1.536   1.498 -0.038 1 5
NSe Nitrogen monoselenide rN=Se 1.652   1.614 -0.038 1 2
C4H10O Ethoxy ethane rCH 1.100   1.062 -0.038 2 6
C4H5N Cyclopropanecarbonitrile rCC 1.472   1.435 -0.037 6 8
CH3NO3 Methyl nitrate rNO 1.402   1.365 -0.037 1 4
C6H5OCH3 Anisole rCO 1.399   1.362 -0.037 1 7
CH3ONO Methyl nitrite rNO 1.398   1.361 -0.037 2 6
NH2F monofluoroamine rNF 1.433   1.400 -0.033 1 2
C5H10 2-Pentene, (Z)- rCC 1.561   1.531 -0.030 1 5
CH2O2 Dioxirane rOO 1.516 ±0.003 1.486 -0.029 4 5
C2H2O2 Ethanedial rCH 1.132   1.103 -0.029 1 3
LiO lithium oxide rLiO 1.688   1.660 -0.029 1 2
CH2ClCH2Cl Ethane, 1,2-dichloro- rCH 1.112   1.085 -0.027 1 5
C4H10O Ethoxy ethane rCH 1.092   1.065 -0.027 4 10
C7H16 heptane rCH 1.121 ±0.007 1.095 -0.026 1 8
Si(CH3)4 tetramethylsilane rCH 1.115 ±7.000 1.091 -0.024 2 6
CH3CH2CH2CH3 Butane rCH 1.117   1.093 -0.024 1 5
C5H5N Bicyclo[1.1.0]butane-1-carbonitrile rCC 1.514   1.490 -0.024 3 9
C4H5NO 3-Methylisoxazole rCC 1.514   1.491 -0.023 1 8
CP Carbon monophosphide rC#P 1.562   1.540 -0.022 1 2
C4H5NO Isoxazole, 5-methyl- rCC 1.505   1.483 -0.022 1 5
C4H10O Ethoxy ethane rCH 1.090   1.068 -0.022 4 12
C6H8 (Z)-hexa-1,3,5-triene rC=C 1.368   1.346 -0.022 1 2
C4H8O2 Ethyl acetate rCH 1.105   1.084 -0.021 1 7
C4H4N2 Succinonitrile rCC 1.561   1.540 -0.021 1 2
N(CH3)3 Trimethylamine rCH 1.109   1.089 -0.020 2 8
C6H8 (Z)-hexa-1,3,5-triene rCH 1.104   1.084 -0.020 1 7
PO- phosphorus monoxide anion rOP 1.540   1.520 -0.020 1 2
C3H8O2 1,3-Propanediol rOH 0.980   0.960 -0.020 6 8
CH3COCl Acetyl Chloride rCH 1.105   1.086 -0.019 2 5
C4H5N Cyclopropanecarbonitrile rCC 1.513   1.494 -0.019 9 10
C3F6 hexafluoropropene rCF 1.329 ±0.003 1.310 -0.019 1 4
C6H12 (E)-3-methylpent-2-ene rCC 1.551   1.532 -0.019 9 12
ScH Scandium monohydride rScH 1.775 ±0.000 1.756 -0.019 1 2
LiOH lithium hydroxide rOH 0.969   0.950 -0.019 1 3
C4H6 Bicyclo[1.1.0]butane rCC 1.497   1.479 -0.018 1 2
C5H9N Pentanenitrile rCC 1.478   1.460 -0.018 4 6
D2 Deuterium diatomic rDD 0.742   0.723 -0.018 1 2
HD Deuterium hydride rDH 0.741   0.723 -0.018 1 2
C3H5ClO Oxirane, (chloromethyl)- rCC 1.475   1.457 -0.018 3 4
CH2ClCH2Cl Ethane, 1,2-dichloro- rCC 1.531   1.513 -0.018 1 2
C5H8 Ethenylcyclopropane rCH 1.099   1.081 -0.018 1 6
C6H5OCH3 Anisole rCO 1.433   1.416 -0.017 7 8
CH2NN diazomethane rCH 1.075   1.058 -0.017 1 4
B2H6 Diborane rBH 1.200   1.184 -0.016 1 5
C5H6 1-Buten-3-yne, 2-methyl- rCC 1.445   1.429 -0.016 7 8
C5H6 Propellane rCC 1.596 ±0.005 1.580 -0.016 2 5
CH3CH2CHO Propanal rCH 1.103   1.087 -0.016 1 6
TiCl Titanium Monochloride rClTi 2.265 ±0.000 2.249 -0.015 1 2
C2H5F fluoroethane rCF 1.398 ±0.007 1.383 -0.015 1 3
C2H Ethynyl radical rC#C 1.217   1.202 -0.015 1 2
CH3ONO Methyl nitrite rCH 1.102   1.087 -0.015 1 4
C4H4N2 1,3-Diazine rC:N 1.350   1.335 -0.015 3 5
BH+ boron monohydride cation rBH 1.215   1.200 -0.014 1 2
F2O Difluorine monoxide rFO 1.405   1.391 -0.014 1 2
C5H6 Bicyclo[2.1.0]pent-2-ene rCC 1.530   1.516 -0.014 1 3
C5H5N Bicyclo[1.1.0]butane-1-carbonitrile rCC 1.518   1.504 -0.014 3 7
C3H6O Propylene oxide rCC 1.513   1.499 -0.014 2 6
CH2FCl fluorochloromethane rCF 1.370 ±0.001 1.356 -0.014 1 2
C10H8 Azulene rC:C 1.414   1.401 -0.013 7 9
C3H8O2 Methane, dimethoxy- rCO 1.432   1.419 -0.013 4 6
F2 Fluorine diatomic rFF 1.412   1.400 -0.012 1 2
CH3SCH2CH3 Ethane, (methylthio)- rCH 1.092   1.080 -0.012 1 3
N2O3 Dinitrogen trioxide rN=O 1.217   1.205 -0.012 2 5
C2H3Cl Ethene, chloro- rCH 1.090   1.078 -0.012 1 4
CH3NO3 Methyl nitrate rCH 1.095   1.083 -0.012 5 8
C8H8 cubane rCH 1.097   1.085 -0.012 1 9
C5H8 Cyclopentene rCC 1.518   1.507 -0.011 2 4
ClO Monochlorine monoxide rClO 1.596 ±0.001 1.585 -0.011 1 2
CH2CHCH2CH2Cl 1-Butene, 4-chloro- rCC 1.508   1.497 -0.011 2 6
CH2NN diazomethane rC=N 1.300   1.289 -0.011 1 2
CH3COCl Acetyl Chloride rCC 1.506   1.495 -0.011 1 2
CH2NH Methanimine rCH 1.103   1.092 -0.011 1 3
Si2 Silicon diatomic rSiSi 2.246   2.236 -0.010 1 2
CH3CH2CHO Propanal rCH 1.115   1.105 -0.010 3 10
SiH2Cl2 dichlorosilane rSiH 1.480 ±0.015 1.470 -0.010 1 2
CH3SeH Methane selenol rSeH 1.473 ±0.020 1.463 -0.010 1 3
CH2 Methylene rCH 1.085   1.075 -0.010 1 2
C6H6 Fulvene rC=C 1.349 ±0.002 1.339 -0.010 1 2
CH2C(CH3)OCH3 1-Propene, 2-methoxy- rCH 1.087   1.077 -0.010 11 12
AsH Arsenic monohydride rAsH 1.535 ±0.001 1.525 -0.010 1 2
CH3CH2OH Ethanol rCH 1.098   1.088 -0.010 1 6
CFCl3 Trichloromonofluoromethane rCF 1.345 ±0.003 1.335 -0.010 1 2
CH3CH2CHO Propanal rCH 1.105   1.096 -0.009 2 8
B2H6 Diborane rBH 1.320   1.311 -0.009 1 3
CH3COCH2CH3 2-Butanone rCC 1.531   1.522 -0.009 3 4
C5H8 1,3-Butadiene, 2-methyl- rCC 1.512   1.503 -0.009 2 5
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
CH2CCHCH3 1,2-Butadiene rC=C 1.314   1.305 -0.009 1 2
C5H6 Propellane rCC 1.525 ±0.002 1.516 -0.009 1 2
C3H6O 2-Propen-1-ol rCH 1.092 ±0.010 1.083 -0.009 2 7
HSe Selenium monohydride rSeH 1.475 ±0.010 1.467 -0.008 1 2
CH2O2 Dioxirane rCO 1.388 ±0.004 1.379 -0.008 1 4
CH3CH(CH3)CH3 Isobutane rCH 1.100   1.092 -0.008 3 6
C4H4N2 1,3-Diazine rCH 1.087   1.079 -0.008 1 7
HeH+ Helium hydride cation rHHe 0.790   0.782 -0.008 1 2
LiNH2 lithium amide rLiN 1.736 ±0.003 1.728 -0.008 1 2
CH2PH Phosphaethene rCH 1.090 ±0.015 1.082 -0.008 1 4
HS+ sulfur monohydride cation rSH 1.374   1.367 -0.008 1 2
CH3NHCH3 Dimethylamine rCH 1.098   1.090 -0.008 3 7
CH3NH2 methyl amine rCN 1.471 ±0.003 1.463 -0.008 1 2
CH3NC methyl isocyanide rCH 1.094   1.086 -0.008 1 4
CH3CCH propyne rCH 1.096   1.088 -0.008 1 5
OCSe Carbonyl selenide rC=O 1.159   1.151 -0.008 1 2
C3H4N2 1H-Pyrazole rCH 1.082   1.075 -0.007 1 2
HOCl hypochlorous acid rOH 0.973 ±0.002 0.966 -0.007 1 2
C3H4N2 1H-Pyrazole rCH 1.083   1.076 -0.007 5 6
C2H2O2 Ethanedial rCC 1.526   1.519 -0.007 1 2
H2CSe Selenoformaldehyde rHC 1.090   1.083 -0.007 1 3
CHF2Cl difluorochloromethane rCF 1.350 ±0.010 1.343 -0.007 1 4
C3H7SH 1-Propanethiol rCC 1.529   1.522 -0.007 7 10
HF+ hydrogen fluoride cation rHF 1.014   1.007 -0.007 1 2
C4H5N (E)-2-Butenenitrile rCC 1.432   1.425 -0.007 8 10
CH3CH2CHO Propanal rCC 1.509   1.502 -0.007 2 3
N3 azide radical rNN 1.181   1.174 -0.007 1 2
C6H12 Cyclohexane rCH 1.101   1.094 -0.007 1 7
CH3ONO Methyl nitrite rCH 1.090   1.083 -0.007 1 3
CH2C(CH3)CH3 1-Propene, 2-methyl- rCH 1.088   1.081 -0.007 2 3
CH3NH2 methyl amine rNH 1.018 ±0.001 1.011 -0.007 2 6
CH3CHO Acetaldehyde rCH 1.114   1.107 -0.007 1 4
NH4+ ammonium cation rHN 1.029 ±0.000 1.022 -0.007 1 2
C2H2+ acetylene cation rC=C 1.253 ±0.001 1.246 -0.007 1 2
C6H6 Fulvene rC=C 1.355 ±0.004 1.348 -0.007 3 5
CH3CH2CHO Propanal rCH 1.096   1.089 -0.007 1 5
CH2CO Ketene rCH 1.083   1.076 -0.006 1 4
CH3COCH2CH3 2-Butanone rCH 1.095   1.089 -0.006 4 9
C3H4N2 1H-Pyrazole rCH 1.080   1.074 -0.006 3 4
C3H6O 2-Propen-1-ol rCH 1.102 ±0.020 1.096 -0.006 1 6
CH3NO nitrosomethane rCH 1.094   1.088 -0.006 1 4
PH+ phosphorus monohydride cation rPH 1.435   1.429 -0.006 1 2
C4H4N2 Succinonitrile rCC 1.465   1.459 -0.006 1 3
OH Hydroxyl radical rOH 0.970   0.964 -0.006 1 2
C6H5OH phenol rC:C 1.398   1.392 -0.006 1 2
CH3COCH2CH3 2-Butanone rCH 1.096   1.090 -0.006 1 7
C7H16 heptane rCC 1.534   1.528 -0.006 1 2
BN boron nitride rB=N 1.325   1.319 -0.006 1 2
CH3COCH2CH3 2-Butanone rCH 1.093   1.087 -0.006 4 10
CH3OCHO methyl formate rCH 1.101   1.096 -0.005 3 8
CH3COCH2CH3 2-Butanone rCH 1.091   1.086 -0.005 1 6
CH3CHS Thioacetaldehyde rCH 1.098   1.093 -0.005 2 6
C4H8 cyclobutane rCH 1.093   1.088 -0.005 1 5
C4H6S Thiophene, 2,5-dihydro- rCH 1.095   1.090 -0.005 2 6
CH3CH(NH2)COOH Alanine rCC 1.544   1.539 -0.005 3 4
CH3NO3 Methyl nitrate rCH 1.088   1.083 -0.005 5 6
CH3CHFCH3 2-Fluoropropane rCH 1.093 ±0.006 1.088 -0.005 4 8
FO Oxygen monofluoride rFO 1.354   1.349 -0.005 1 2
C10H8 Azulene rC:C 1.398   1.393 -0.005 1 3
CH3NC methyl isocyanide rCN 1.426 ±0.003 1.421 -0.005 1 2
CH2FCl fluorochloromethane rCH 1.090 ±0.010 1.085 -0.005 1 4
NF nitrogen fluoride rNF 1.317   1.312 -0.005 1 2
C4H8O2 Ethyl acetate rCC 1.515   1.510 -0.005 5 6
CH3CHFCH3 2-Fluoropropane rCH 1.094 ±0.005 1.089 -0.005 4 10
CHF3 Methane, trifluoro- rCH 1.091 ±0.014 1.086 -0.005 1 2
CH2CHCH2CH3 1-Butene rCC 1.536   1.531 -0.005 1 2
C4H8O2 Ethyl acetate rCC 1.508   1.503 -0.005 1 2
CH3CH2CH2CH3 Butane rCC 1.531   1.527 -0.004 1 2
C3H8 Propane rCH 1.096   1.092 -0.004 1 4
C5H10 Cyclopropane, 1,1-dimethyl- rCC 1.514   1.510 -0.004 1 4
CH3CHClCH3 Propane, 2-chloro- rCH 1.091   1.087 -0.004 2 5
CH3CHS Thioacetaldehyde rCH 1.090   1.086 -0.004 2 5
CaC Calcium monocarbide rC#Ca 2.302   2.297 -0.004 1 2
C6H8 1,4-Cyclohexadiene rCH 1.100   1.096 -0.004 1 11
C2H2ClF 1-chloro-1-fluoroethylene rCH 1.082 ±0.001 1.078 -0.004 2 5
CH2Cl2 Methylene chloride rCH 1.085 ±0.002 1.081 -0.004 1 2
CH3OC2H5 Ethane, methoxy- rCO 1.415 ±0.005 1.411 -0.004 1 2
C6H10 1-Butyne, 3,3-dimethyl- rCH 1.056 ±0.001 1.052 -0.004 6 7
BH Boron monohydride rBH 1.232   1.228 -0.004 1 2
C4H6 Cyclobutene rCH 1.094   1.090 -0.004 3 7
C5H8 Cyclobutane, methylene- rCC 1.524   1.520 -0.004 1 3
C3H6 Cyclopropane rCH 1.083   1.079 -0.004 1 4
CH3OC2H5 Ethane, methoxy- rCH 1.099 ±0.007 1.095 -0.004 1 6
C10H8 Azulene rC:C 1.405 ±0.001 1.401 -0.004 2 9
CH3OC2H5 Ethane, methoxy- rCH 1.092 ±0.007 1.088 -0.004 4 11
CH3OCHO methyl formate rCO 1.437   1.433 -0.004 1 2
CH3COCl Acetyl Chloride rC=O 1.187   1.183 -0.004 1 3
C5H8 Ethenylcyclopropane rCC 1.475   1.471 -0.004 1 2
CH3SCH2CH3 Ethane, (methylthio)- rCH 1.090   1.086 -0.004 9 11
C8H8 cyclooctatetraene rC=C 1.337 ±0.001 1.334 -0.004 1 2
CH2O2 Dioxirane rCH 1.090 ±0.002 1.087 -0.004 1 2
ClCN chlorocyanogen rC#N 1.161   1.157 -0.004 2 3
CH3OCH3 Dimethyl ether rCH 1.099 ±0.001 1.095 -0.004 2 6
C3H4O Methylketene rCH 1.083   1.080 -0.003 2 5
C2H5F fluoroethane rCH 1.095 ±0.007 1.092 -0.003 1 4
CF3COOH trifluoroacetic acid rCC 1.546 ±0.005 1.543 -0.003 1 2
C4H8 cyclobutane rCH 1.091   1.088 -0.003 1 6
MgO magnesium oxide rMgO 1.749   1.746 -0.003 1 2
C4H6 Cyclobutene rCC 1.517   1.514 -0.003 1 3
C2- carbon diatomic anion rC#C 1.268 ±0.000 1.265 -0.003 1 2
CH3OC2H5 Ethane, methoxy- rCH 1.100 ±0.003 1.097 -0.003 3 8
CH3SCH2CH3 Ethane, (methylthio)- rCH 1.089   1.086 -0.003 9 10
C5H8 Bicyclo[2.1.0]pentane rCC 1.565   1.562 -0.003 3 4
C2H2 Acetylene rCH 1.063   1.060 -0.003 1 3
C4H6 Cyclobutene rCH 1.083   1.080 -0.003 1 5
C6H5OH phenol rCH 1.082   1.080 -0.002 4 11
CH3NO nitrosomethane rCH 1.092   1.090 -0.002 1 5
CH3OCHO methyl formate rCH 1.086   1.084 -0.002 1 5
C2H5N Aziridine rCH 1.083   1.081 -0.002 3 5
HSiCl Chlorosilylene rSiH 1.525 ±0.005 1.523 -0.002 1 3
C3H4 cyclopropene rCH 1.088   1.086 -0.002 1 6
CH2CHF Ethene, fluoro- rCH 1.082   1.080 -0.002 1 4
P2H4 Diphosphine rPH 1.417   1.415 -0.002 1 3
C2H5N Aziridine rCH 1.084   1.082 -0.002 3 6
C10H8 Azulene rCH 1.084   1.082 -0.002 4 14
C3H6O 2-Propen-1-ol rCH 1.096 ±0.030 1.094 -0.002 1 5
C3H3NO Oxazole rCO 1.357 ±0.003 1.355 -0.002 1 2
CH3CH(CH3)CH3 Isobutane rCH 1.092   1.090 -0.002 3 9
NH+ imidogen cation rNH 1.070 ±0.001 1.068 -0.002 1 2
C5H10 2-Pentene, (Z)- rCH 1.092   1.090 -0.002 1 2
C4H10O Propane, 2-methoxy- rCH 1.095   1.093 -0.002 1 2
C3H7SH 1-Propanethiol rCH 1.090   1.088 -0.002 8 10
HO2 Hydroperoxy radical rOO 1.331   1.329 -0.002 1 2
HOBr Hypobromous acid rBrO 1.834   1.832 -0.002 2 3
SiHCl3 Trichlorosilane rSiH 1.464   1.462 -0.002 1 2
CH3OCH3 Dimethyl ether rCO 1.411 ±0.001 1.409 -0.002 1 2
C10H8 Azulene rCH 1.080   1.078 -0.002 9 17
BF Boron monofluoride rBF 1.267 ±0.000 1.265 -0.001 1 2
NS Mononitrogen monosulfide rNS 1.497 ±0.000 1.496 -0.001 1 2
H2 Hydrogen diatomic rHH 0.741   0.740 -0.001 1 2
CN- cyanide anion rC#N 1.177 ±0.004 1.176 -0.001 1 2
C2H5F fluoroethane rCH 1.091 ±0.007 1.090 -0.001 2 6
HCCCN Cyanoacetylene rCH 1.062 ±0.001 1.061 -0.001 4 5
HNCNH diiminomethane rC=N 1.224 ±0.001 1.223 -0.001 1 2
C6H6 Fulvene rCH 1.080 ±0.005 1.079 -0.001 5 11
C6H5OH phenol rCH 1.084   1.083 -0.001 2 9
C2H5F fluoroethane rCH 1.090 ±0.007 1.089 -0.001 2 7
C3H3NO Oxazole rCH 1.073 ±0.001 1.072 -0.001 5 8
C3H3NO Oxazole rCH 1.075 ±0.001 1.074 -0.001 4 7
CH Methylidyne rCH 1.120   1.119 -0.001 1 2
CH3CH2Cl Ethyl chloride rCH 1.086   1.085 -0.001 2 7
CH3CHClCH3 Propane, 2-chloro- rCH 1.092   1.091 -0.001 3 6
C3H7SH 1-Propanethiol rCH 1.092   1.091 -0.001 5 7
NH Imidogen rNH 1.036   1.035 -0.001 1 2
C3H3NO Oxazole rCO 1.370 ±0.002 1.369 -0.001 1 5
C3H3NO Oxazole rCH 1.075 ±0.001 1.074 -0.001 2 6
BeH beryllium monohydride rBeH 1.343   1.342 -0.001 1 2
C6H12 Cyclohexane rCH 1.093   1.093 -0.001 1 13
SiH3F monofluorosilane rSiH 1.476   1.475 -0.001 1 3
P2 Phosphorus diatomic rP#P 1.893   1.893 -0.001 1 2
CH4 Methane rCH 1.087 ±0.001 1.086 -0.001 1 2
C6H6 Fulvene rCC 1.476 ±0.008 1.475 -0.001 5 6
SiH4 Silane rSiH 1.480 ±0.000 1.479 -0.001 1 2
C5H8O Methyl cyclopropyl ketone rCC 1.510   1.509 -0.001 2 3
CF Fluoromethylidyne rCF 1.276   1.276 -0.001 1 2
C2H2 Acetylene rC#C 1.203   1.202 -0.001 1 2
C3F6 hexafluoropropene rC=C 1.329 ±0.003 1.328 -0.001 1 2
CH3CHFCH3 2-Fluoropropane rCH 1.092   1.092 0.000 1 3
CH3CCH propyne rCH 1.060   1.060 0.000 3 4
SiH3Cl chlorosilane rSiH 1.475   1.475 0.000 1 3
NO Nitric oxide rN=O 1.154 ±0.000 1.153 0.000 1 2
FNO2 Nitryl fluoride rN=O 1.180 ±0.005 1.180 0.000 1 3
NH2SH Thiohydroxylamine rSH 1.344 ±0.029 1.344 0.000 2 3
CH3Br methyl bromide rCH 1.082 ±0.001 1.082 0.000 1 3
P2H4 Diphosphine rPH 1.414   1.414 0.000 1 4
CH3CHO Acetaldehyde rCH 1.086   1.086 0.000 2 5
C4H4N2 1,3-Diazine rCH 1.082   1.082 0.000 2 8
C6H6 Fulvene rCH 1.078 ±0.005 1.078 0.000 3 9
C6H8 (Z)-hexa-1,3,5-triene rC=C 1.337   1.337 0.000 3 5
CH3CH2CHO Propanal rCC 1.523   1.523 0.000 1 2
CH3OCHO methyl formate rCO 1.334   1.334 0.000 2 3
CH3OC2H5 Ethane, methoxy- rCH 1.089 ±0.008 1.089 0.000 4 10
C2H3Cl Ethene, chloro- rCH 1.079   1.079 0.000 2 5
CH3COCH2CH3 2-Butanone rCH 1.093   1.093 0.000 3 12
CH3CH2Cl Ethyl chloride rCH 1.090   1.091 0.000 1 3
COBr2 Carbonic dibromide rC=O 1.172 ±0.003 1.172 0.000 1 2
C2H2+ acetylene cation rCH 1.077 ±0.005 1.077 0.000 1 3
SiN Silicon nitride rSiN 1.575   1.575 0.000 1 2
CH3ONO Methyl nitrite rCO 1.437   1.437 0.000 1 2
DO Hydroxyl-d rDO 0.970   0.970 0.000 1 2
C5H10 Cyclopropane, 1,1-dimethyl- rCH 1.080   1.080 0.000 2 6
CH3CHS Thioacetaldehyde rCH 1.089   1.089 0.000 1 4
CH3OC2H5 Ethane, methoxy- rCH 1.086 ±0.010 1.086 0.000 1 5
NaF sodium fluoride rNaF 1.926 ±0.000 1.926 0.000 1 2
C4H6O Cyclobutanone rCC 1.556   1.557 0.001 3 5
H2CSe Selenoformaldehyde rC=Se 1.753   1.754 0.001 1 2
H2CS Thioformaldehyde rC=S 1.611   1.611 0.001 1 2
C3H4 cyclopropene rCH 1.072   1.073 0.001 2 4
CCl2O Phosgene rC=O 1.177   1.177 0.001 1 2
CH3SCH2CH3 Ethane, (methylthio)- rCH 1.087   1.088 0.001 1 2
BO boron monoxide rB=O 1.205   1.205 0.001 1 2
HNCO Isocyanic acid rC=O 1.164   1.165 0.001 3 4
CH3SCH2CH3 Ethane, (methylthio)- rCH 1.097   1.098 0.001 5 6
CH3CH2OH Ethanol rCH 1.088   1.089 0.001 1 5
CHONH2 formamide rNH 1.001   1.002 0.001 3 6
H2Se Hydrogen selenide rSeH 1.460   1.461 0.001 1 2
CH2CHF Ethene, fluoro- rCH 1.077   1.078 0.001 2 5
CH3OCH3 Dimethyl ether rCH 1.085 ±0.001 1.086 0.001 2 4
CH3CHFCH3 2-Fluoropropane rCH 1.088 ±0.006 1.089 0.001 4 6
LiOH lithium hydroxide rLiO 1.582   1.583 0.001 1 2
C6H10 1-Butyne, 3,3-dimethyl- rC#C 1.209 ±0.001 1.211 0.002 1 6
C5H8 Bicyclo[2.1.0]pentane rCC 1.528   1.530 0.002 1 3
SOCl2 thionyl chloride rS=O 1.443 ±0.006 1.445 0.002 1 2
C10H8 naphthalene rC:C 1.410   1.412 0.002 2 3
CN Cyano radical rC#N 1.172   1.173 0.002 1 2
H2O Water rOH 0.958 ±0.000 0.959 0.002 1 2
CH2CO Ketene rC=O 1.162   1.164 0.002 2 3
DF Hydrofluoric acid-d rDF 0.917 ±0.000 0.919 0.002 1 2
C2H5F fluoroethane rCC 1.505 ±0.007 1.507 0.002 1 2
CO+ carbon monoxide cation rC=O 1.115 ±0.000 1.117 0.002 1 2
C10H8 Azulene rCH 1.081   1.083 0.002 1 11
N2 Nitrogen diatomic rN#N 1.098   1.099 0.002 1 2
BrO Bromine monoxide rOBr 1.718   1.720 0.002 1 2
CH3NHCH3 Dimethylamine rCH 1.098   1.100 0.002 3 5
BrF5 bromine pentafluoride rFBr 1.774 ±0.003 1.776 0.002 1 3
HO2 Hydroperoxy radical rOH 0.971   0.973 0.002 1 3
C3H6O 2-Propen-1-ol rCH 1.078 ±0.010 1.080 0.002 3 8
C10H8 Azulene rCH 1.083   1.085 0.002 5 15
CH2C(CH3)OCH3 1-Propene, 2-methoxy- rCO 1.416   1.418 0.002 1 5
C4H10O Ethoxy ethane rCC 1.517   1.519 0.002 2 4
N2O3 Dinitrogen trioxide rN=O 1.142   1.144 0.002 1 3
CH3NC methyl isocyanide rC#N 1.166 ±0.003 1.168 0.002 2 3
C6H5OH phenol rCO 1.364   1.367 0.003 1 7
CH3NH2 methyl amine rCH 1.093 ±0.000 1.095 0.003 1 3
HF Hydrogen fluoride rHF 0.917 ±0.000 0.919 0.003 1 2
C2HF3 Trifluoroethylene rCF 1.316 ±0.011 1.319 0.003 1 3
C5H8O 2H-Pyran, 3,4-dihydro- rCC 1.516   1.519 0.003 10 13
C6H6 Fulvene rCC 1.470 ±0.004 1.473 0.003 1 3
C3H6 Cyclopropane rCC 1.501   1.504 0.003 1 2
C5H8 1,3-Butadiene, 2-methyl- rCC 1.463   1.466 0.003 2 3
LiF lithium fluoride rLiF 1.564 ±0.000 1.567 0.003 1 2
PH phosphorus monohydride rPH 1.422   1.426 0.003 1 2
HOBr Hypobromous acid rOH 0.961   0.964 0.003 1 2
HBr hydrogen bromide rHBr 1.414 ±0.000 1.418 0.003 1 2
GeH germylidene rGeH 1.588   1.591 0.003 1 2
N2O3 Dinitrogen trioxide rN=O 1.202   1.205 0.003 2 4
C4H4N2 1,3-Diazine rCH 1.079   1.083 0.004 3 9
CH3ONO Methyl nitrite rN=O 1.182   1.186 0.004 6 7
AsH3 Arsine rAsH 1.511 ±0.000 1.514 0.004 1 2
CH3Br methyl bromide rCBr 1.934 ±0.000 1.938 0.004 1 2
SiH3+ Silyl cation rSiH 1.460 ±0.010 1.464 0.004 1 2
CH2F2 Methane, difluoro- rCH 1.084 ±0.003 1.088 0.004 1 2
ClF Chlorine monofluoride rFCl 1.628 ±0.000 1.632 0.004 1 2
HS Mercapto radical rSH 1.341   1.345 0.004 1 2
CHONH2 formamide rNH 1.001   1.005 0.004 3 5
CS carbon monosulfide rC#S 1.535   1.539 0.004 1 2
C2H3 vinyl rCH 1.085   1.089 0.004 2 4
KrH+ Protonated Krypton rHKr 1.421 ±0.000 1.425 0.004 1 2
DS Mercapto-d rSD 1.341   1.345 0.004 1 2
HCl Hydrogen chloride rHCl 1.275 ±0.000 1.279 0.004 1 2
HS- mercapto anion rSH 1.343   1.348 0.004 1 2
CH2ClCH2Cl Ethane, 1,2-dichloro- rCCl 1.790   1.794 0.004 1 3
C5H7N Cyclobutanecarbonitrile rCC 1.551   1.555 0.004 3 6
DCl Hydrochloric acid-d rDCl 1.275 ±0.000 1.279 0.004 1 2
C8H8 cyclooctatetraene rCC 1.470 ±0.001 1.475 0.004 1 5
CH3NHCH3 Dimethylamine rCH 1.084   1.088 0.004 3 9
C3H4O Methylketene rCH 1.083   1.087 0.004 3 6
C6H5OH phenol rCH 1.076   1.081 0.005 3 10
OH- hydroxide anion rOH 0.964   0.969 0.005 1 2
C4H8O2 Ethyl acetate rC=O 1.203   1.208 0.005 2 4
CuF Copper monofluoride rCuF 1.745 ±0.000 1.750 0.005 1 2
CO Carbon monoxide rC#O 1.128 ±0.000 1.133 0.005 1 2
CHClCCl2 Trichloroethylene rCCl 1.720   1.725 0.005 2 5
CuH Copper monohydride rCuH 1.463   1.468 0.005 1 2
CH2CHCH2CH3 1-Butene rCC 1.493   1.498 0.005 2 3
HBr+ hydrogen bromide cation rHBr 1.448   1.454 0.005 1 2
CF3COOH trifluoroacetic acid rC=O 1.192 ±0.003 1.197 0.005 2 4
C4H8O2 Ethyl acetate rCO 1.345   1.350 0.005 2 3
PO2 Phosphorus dioxide rP=O 1.467   1.472 0.005 1 2
BeS beryllium sulfide rBe=S 1.742   1.747 0.005 1 2
BCl boron monochloride rBCl 1.719 ±0.000 1.725 0.006 1 2
HNO3 Nitric acid rNO 1.406   1.412 0.006 1 2
SiH Silylidyne rSiH 1.520   1.526 0.006 1 2
BS boron sulfide rBS 1.609   1.615 0.006 1 2
CH3CSNH2 Ethanethioamide rC=S 1.647 ±0.002 1.653 0.006 1 2
BeF Beryllium monofluoride rBeF 1.361   1.367 0.006 1 2
C4H10O Propane, 2-methoxy- rCO 1.422   1.428 0.006 5 14
C4H4N2 1,3-Diazine rC:N 1.328   1.334 0.006 2 6
SCSe Carbon sulfide selenide rC=S 1.553 ±0.002 1.559 0.006 1 2
SiH+ silicon monohydride cation rSiH 1.504   1.511 0.007 1 2
SiH2F2 difluorosilane rSiH 1.462   1.468 0.007 1 4
Si(CH3)4 tetramethylsilane rSiC 1.875 ±0.002 1.882 0.007 1 2
CH2F2 Methane, difluoro- rCF 1.351 ±0.001 1.358 0.007 1 4
C8H8 cyclooctatetraene rCH 1.079 ±0.001 1.086 0.007 1 9
PO Phosphorus monoxide rP=O 1.476   1.483 0.007 1 2
C5H10 2-Pentene, (Z)- rCC 1.490   1.497 0.007 8 14
HOCl hypochlorous acid rClO 1.697 ±0.001 1.705 0.007 1 3
SF Monosulfur monofluoride rSF 1.599   1.607 0.008 1 2
O2 Oxygen diatomic rO=O 1.208   1.215 0.008 1 2
C4H6O Cyclobutanone rCC 1.527   1.535 0.008 2 3
NH2CONH2 Urea rNH 0.998   1.005 0.008 4 8
SiP Silicon monophosphide rSiP 2.078 ±0.002 2.085 0.008 1 2
SCSe Carbon sulfide selenide rC=Se 1.695 ±0.002 1.703 0.008 1 3
HCl+ hydrogen chloride cation rHCl 1.315   1.323 0.008 1 2
CHF3 Methane, trifluoro- rCF 1.328 ±0.003 1.336 0.008 1 3
CH3COCH2CH3 2-Butanone rCC 1.512   1.520 0.008 2 3
MgOH magnesium hydroxide rMgO 1.767   1.775 0.008 1 2
CH3CH2OH Ethanol rCH 1.086   1.094 0.008 2 8
ClCN chlorocyanogen rCCl 1.629   1.637 0.008 1 2
C3H7N Cyclopropylamine rCH 1.080   1.088 0.008 1 2
CH2Br2 dibromomethane rCBr 1.925 ±0.002 1.934 0.009 1 4
SF4 Sulfur tetrafluoride rSF 1.646 ±0.003 1.655 0.009 1 2
CH3OC2H5 Ethane, methoxy- rCO 1.407 ±0.004 1.416 0.009 2 3
MgH+ magnesium monohydride cation rMgH 1.652   1.661 0.009 1 2
MgF Magnesium monofluoride rMgF 1.750   1.759 0.009 1 2
CSe2 Carbon diselenide rC=Se 1.692 ±0.000 1.701 0.009 1 2
LiH Lithium Hydride rLiH 1.595 ±0.000 1.604 0.009 1 2
BrF Bromine monofluoride rFBr 1.759 ±0.000 1.768 0.009 1 2
AlH aluminum monohydride rAlH 1.648   1.657 0.009 1 2
BrF3 Bromine trifluoride rFBr 1.810 ±0.000 1.819 0.009 1 3
C10H8 Azulene rC:C 1.377   1.386 0.009 5 7
MgOH magnesium hydroxide rOH 0.940   0.949 0.009 1 3
MgH magnesium monohydride rMgH 1.730   1.739 0.009 1 2
MgS magnesium sulfide rMgS 2.143   2.152 0.009 1 2
CCl2 dichloromethylene rCCl 1.711   1.721 0.009 1 2
SeCl2 Selenium Dichloride rClSe 2.157 ±0.003 2.167 0.010 1 2
LiBr Lithium Bromide rLiBr 2.170 ±0.000 2.181 0.010 1 2
CrH Chromium hydride rHCr 1.655 ±0.001 1.665 0.010 1 2
GeH3F monofluorogermane rGeH 1.515 ±0.000 1.525 0.010 1 3
PF phosphorus monofluoride rFP 1.593   1.603 0.010 1 2
C4H8O2 1,3-Dioxane rCO 1.393   1.403 0.010 1 2
CaCl calcium monochloride rClCa 2.437   2.447 0.010 1 2
CSe Carbon monoselenide rC=Se 1.676 ±0.000 1.687 0.011 1 2
S2 Sulfur diatomic rS=S 1.889   1.900 0.011 1 2
C10H8 Azulene rC:C 1.484   1.495 0.011 7 8
CHClCCl2 Trichloroethylene rCCl 1.712   1.723 0.011 2 6
AsF Arsenic monofluoride rFAs 1.736 ±0.001 1.747 0.011 1 2
OCSe Carbonyl selenide rC=Se 1.709   1.720 0.011 1 3
CFCl3 Trichloromonofluoromethane rCCl 1.764 ±0.001 1.775 0.011 1 3
GeH3F monofluorogermane rGeF 1.731 ±0.000 1.742 0.012 1 2
AlS Aluminum sulfide rAlS 2.029   2.041 0.012 1 2
CH2Cl2 Methylene chloride rCCl 1.767 ±0.002 1.779 0.012 1 4
AlO Aluminum monoxide rAlO 1.618   1.630 0.012 1 2
PF5 Phosphorus pentafluoride rFP 1.577   1.589 0.012 1 5
CH3CH(NH2)COOH Alanine rCC 1.509   1.521 0.012 2 3
BeCl beryllium monochloride rBeCl 1.797   1.810 0.012 1 2
C2 Carbon diatomic rC=C 1.243   1.255 0.013 1 2
GeF Germanium monofluoride rFGe 1.745   1.758 0.013 1 2
As4 Arsenic tetramer rAsAs 2.435   2.448 0.013 1 2
SiF silicon monofluoride rSiF 1.604   1.617 0.013 1 2
GaF Gallium monofluoride rFGa 1.774 ±0.000 1.787 0.013 1 2
CuO Copper Monoxide rCuO 1.724 ±0.000 1.737 0.013 1 2
PN Phosphorus mononitride rP#N 1.491   1.504 0.013 1 2
OPCl Phosphorus oxychloride rP=O 1.462 ±0.011 1.475 0.013 1 2
AlN Aluminum nitride rN#Al 1.786   1.800 0.014 1 2
C2H6O2S Dimethyl sulfone rCS 1.777 ±0.006 1.791 0.014 1 4
BrF3 Bromine trifluoride rFBr 1.721   1.735 0.014 1 2
GeO Germanium monoxide rOGe 1.625   1.639 0.014 1 2
C3H5 Allyl radical rCH 1.069   1.084 0.015 1 2
N(CH3)3 Trimethylamine rCH 1.088   1.103 0.015 2 5
SeO2 Selenium dioxide rSeO 1.607 ±0.001 1.622 0.015 1 2
CHBr3 bromoform rCBr 1.924 ±0.005 1.939 0.015 1 3
FNO2 Nitryl fluoride rNF 1.467 ±0.015 1.482 0.015 1 2
Cl2 Chlorine diatomic rClCl 1.988   2.003 0.015 1 2
AlNC Aluminum isocyanide rAlN 1.855 ±0.005 1.870 0.015 1 2
CaOH Calcium monohydroxide rOCa 1.976 ±0.004 1.991 0.015 1 2
C2H Ethynyl radical rCH 1.047   1.062 0.016 1 3
NH3BF3 Amminetrifluoroboron rBN 1.673   1.689 0.016 1 2
SeO Selenium monoxide rSeO 1.639 ±0.001 1.655 0.016 1 2
SiH3F monofluorosilane rSiF 1.595   1.611 0.017 1 2
SiO Silicon monoxide rSiO 1.510 ±0.000 1.526 0.017 1 2
SF4 Sulfur tetrafluoride rSF 1.545 ±0.003 1.562 0.017 1 4
GeF+ Germanium monofluoride cation rFGe 1.665 ±0.000 1.682 0.017 1 2
C5H10 2-Pentene, (E)- rCC 1.484   1.501 0.017 4 11
PCl5 Phosphorus pentachloride rPCl 2.020   2.037 0.017 1 2
SO+ sulfur monoxide cation rO=S 1.424   1.441 0.017 1 2
CuCl Copper monochloride rCuCl 2.051 ±0.000 2.068 0.017 1 2
Cl2+ chlorine diatomic cation rClCl 1.892   1.909 0.018 1 2
PF2 Phosphorus difluoride rPF 1.579   1.597 0.018 1 2
CBr4 Carbon tetrabromide rCBr 1.942 ±0.002 1.960 0.018 1 2
GeS Germanium monosulfide rS=Ge 2.012 ±0.000 2.030 0.018 1 2
C3H8O2 Methane, dimethoxy- rCO 1.382   1.400 0.018 1 4
PF5 Phosphorus pentafluoride rPF 1.534   1.552 0.018 1 2
GeBr4 Germanium tetrabromide rGeBr 2.272 ±0.001 2.291 0.019 1 2
C5H8 Bicyclo[2.1.0]pentane rCC 1.507   1.526 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
CCl2O Phosgene rCCl 1.737   1.755 0.019 2 3
Se2 Selenium diatomic rSe=Se 2.166 ±0.001 2.185 0.019 1 2
C3O2 Carbon suboxide rC=O 1.146   1.165 0.019 2 4
SiH3Cl chlorosilane rSiCl 2.051   2.070 0.019 1 2
CCl carbon monochloride rCCl 1.649   1.668 0.019 1 2
As2 Arsenic diatomic rAs#As 2.103   2.122 0.019 1 2
SOF4 Sulfur tetrafluoride oxide rFS 1.596 ±0.003 1.616 0.020 1 3
AlC Aluminum carbide rC=Al 1.955   1.975 0.020 1 2
CH2C(CH3)OCH3 1-Propene, 2-methoxy- rCO 1.353   1.373 0.020 5 10
AlH+ aluminum monohydride cation rAlH 1.602   1.622 0.020 1 2
NaLi lithium sodium rLiNa 2.889   2.909 0.020 1 2
Cu2 Copper diatomic rCuCu 2.220   2.240 0.021 1 2
CH2FCl fluorochloromethane rCCl 1.762 ±0.000 1.783 0.021 1 3
SiH2Cl2 dichlorosilane rSiCl 2.033 ±0.003 2.054 0.021 1 4
NO- nitric oxide anion rN=O 1.258 ±0.010 1.279 0.021 1 2
LiCl lithium chloride rLiCl 2.021 ±0.000 2.042 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 0.022 1 2
C5H8O Cyclopentanone rCC 1.504   1.527 0.023 2 3
GeCl Germanium monochloride rClGe 2.164 ±0.000 2.187 0.023 1 2
PCl phosphorus chloride rPCl 2.018   2.041 0.023 1 2
BrCl Bromine monochloride rClBr 2.136 ±0.000 2.159 0.023 1 2
SiF2 Silicon difluoride rFSi 1.590 ±0.000 1.613 0.023 1 2
SCl sulfur monochloride rSCl 1.975   1.999 0.023 1 2
PS phosphorus sulfide rP=S 1.900   1.923 0.023 1 2
NaBr Sodium Bromide rNaBr 2.502 ±0.000 2.526 0.024 1 2
CaOH Calcium monohydroxide rOH 0.930 ±0.007 0.954 0.024 2 3
SSO Disulfur monoxide rS=O 1.456   1.480 0.024 1 2
Br2 Bromine diatomic rBrBr 2.281   2.306 0.025 1 2
C2H6O2S Dimethyl sulfone rS=O 1.431 ±0.004 1.456 0.025 1 2
MgCl magnesium monochloride rMgCl 2.199   2.224 0.025 1 2
AlF Aluminum monofluoride rAlF 1.654 ±0.000 1.680 0.025 1 2
SiCl Clorosilylidyne rSiCl 2.061 ±0.000 2.087 0.025 1 2
SeS Selenium monosulfide rS=Se 2.037 ±0.001 2.062 0.025 1 2
CH3COCl Acetyl Chloride rCCl 1.798   1.824 0.026 1 4
SOF4 Sulfur tetrafluoride oxide rFS 1.539 ±0.003 1.565 0.026 1 5
GaBr Gallium monobromide rGaBr 2.352 ±0.000 2.379 0.027 1 2
SiBr+ Silicon monobromide cation rSiBr 2.095 ±0.000 2.122 0.027 1 2
SiHCl3 Trichlorosilane rSiCl 2.020   2.047 0.027 1 3
C5H10 2-Pentene, (Z)- rCH 1.058   1.085 0.027 12 13
PCl5 Phosphorus pentachloride rPCl 2.124   2.152 0.028 1 5
HSiCl Chlorosilylene rSiCl 2.067 ±0.003 2.095 0.028 1 2
CHF2Cl difluorochloromethane rCCl 1.747 ±0.010 1.775 0.028 1 3
NaCl Sodium Chloride rNaCl 2.361 ±0.000 2.390 0.029 1 2
AlCl Aluminum monochloride rAlCl 2.130 ±0.000 2.160 0.030 1 2
AsF3 Arsenic trifluoride rAsF 1.706 ±0.002 1.736 0.030 1 2
C3H4O Cyclopropanone rCC 1.575   1.605 0.030 3 4
SSO Disulfur monoxide rS=S 1.884   1.915 0.030 2 3
BrF5 bromine pentafluoride rFBr 1.689 ±0.008 1.720 0.031 1 2
S2+ sulfur diatomic cation rS=S 1.825 ±0.010 1.856 0.031 1 2
GaAs Gallium arsenide rGa#As 2.530 ±0.020 2.562 0.032 1 2
C2Cl2 dichloroacetylene rCCl 1.612 ±0.030 1.644 0.032 1 3
ClOF3 Chlorine trifluoride oxide rFCl 1.713 ±0.003 1.746 0.033 1 4
NS+ nitrogen sulfide cation rNS 1.440   1.473 0.033 1 2
CaBr Calcium monobromide rCaBr 2.594 ±0.000 2.627 0.033 1 2
OPCl Phosphorus oxychloride rPCl 2.059 ±0.004 2.093 0.034 1 3
AlBr Aluminum monobromide rAlBr 2.295   2.330 0.036 1 2
CH2NN diazomethane rN=N 1.139   1.176 0.037 2 3
ClFO3 Perchloryl fluoride rCl=O 1.400   1.439 0.039 2 3
PF+ phosphorus monofluoride cation rFP 1.500   1.542 0.042 1 2
P2+ phosphorus diatomic cation rPP 1.986   2.029 0.043 1 2
ClOF3 Chlorine trifluoride oxide rFCl 1.603 ±0.004 1.648 0.045 1 3
CFCl chlorofluoromethylene rCCl 1.714   1.759 0.045 1 3
NCl nitrogen monochloride rNCl 1.611 ±0.000 1.658 0.047 1 2
CaO Calcium monoxide rOCa 1.822   1.870 0.048 1 2
C4H10O Ethoxy ethane rCO 1.411   1.466 0.055 1 2
C4H8O2 Ethyl acetate rCO 1.448   1.510 0.062 5 6
He2+ helium diatomic cation rHeHe 1.081 ±0.001 1.144 0.064 1 2
H2Cl+ dihydrogen monochloride cation rHCl 1.321 ±0.000 1.388 0.068 1 2
O2+ diatomic oxygen cation rOO 1.116   1.187 0.070 1 2
ClFO3 Perchloryl fluoride rFCl 1.598   1.669 0.071 1 2
NO+ nitric oxide cation rN=O 1.066   1.141 0.076 1 2
NO3 Nitrogen trioxide rNO 1.238   1.361 0.123 1 2
ArH+ Argon hydride cation rArH 1.292 ±0.000 1.441 0.149 1 2
SiF4 Silicon tetrafluoride rSiF 1.554   1.713 0.159 1 2
AsF5 Arsenic pentafluoride rAsF 1.656 ±0.004 1.835 0.179 1 2
AsF5 Arsenic pentafluoride rAsF 1.711 ±0.005 1.921 0.210 1 5
Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- rAlCl 2.040 ±0.040 2.284 0.244 1 3
C4H10O Methyl propyl ether rCH 1.099   1.409 0.310 1 2
CaF Calcium monofluoride rFCa 1.967 ±0.001 2.741 0.774 1 2
558 molecules.