Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
You are here: Comparisons > Geometry > Bonds, angles > Average bond lengths |
Species | Name | Bond type | Bond Length (Å) | |||||
---|---|---|---|---|---|---|---|---|
Experimental | unc. | Calculated | Difference | atom1 | atom2 | |||
Na2 | Sodium diatomic | rNaNa | 3.079 | 2.316 | -0.763 | 1 | 2 | |
C4H10O | Methyl propyl ether | rCC | 1.530 | 1.097 | -0.433 | 5 | 13 | |
LiOH | lithium hydroxide | rLiO | 1.582 | 1.537 | -0.045 | 1 | 2 | |
LiF | lithium fluoride | rLiF | 1.564 | ±0.000 | 1.524 | -0.040 | 1 | 2 |
C5H8O | Methyl cyclopropyl ketone | rCH | 1.126 | 1.092 | -0.034 | 3 | 7 | |
C2H2O2 | Ethanedial | rCH | 1.132 | 1.103 | -0.029 | 1 | 3 | |
CF3COOH | trifluoroacetic acid | rCC | 1.546 | ±0.005 | 1.521 | -0.025 | 1 | 2 |
LiNH2 | lithium amide | rLiN | 1.736 | ±0.003 | 1.712 | -0.024 | 1 | 2 |
AlBr | Aluminum monobromide | rAlBr | 2.295 | 2.272 | -0.023 | 1 | 2 | |
C9H8 | Indene | rCC | 1.415 | ±0.170 | 1.396 | -0.019 | 1 | 2 |
GeBr4 | Germanium tetrabromide | rGeBr | 2.272 | ±0.001 | 2.254 | -0.018 | 1 | 2 |
CH3CH2CH2CH3 | Butane | rCH | 1.117 | 1.099 | -0.018 | 1 | 5 | |
As4 | Arsenic tetramer | rAsAs | 2.435 | 2.418 | -0.017 | 1 | 2 | |
C4H8O2 | Ethyl acetate | rCH | 1.105 | 1.090 | -0.015 | 1 | 7 | |
Br2 | Bromine diatomic | rBrBr | 2.281 | 2.267 | -0.014 | 1 | 2 | |
C2H2O2 | Ethanedial | rCC | 1.526 | 1.512 | -0.014 | 1 | 2 | |
C5H8 | Ethenylcyclopropane | rCH | 1.099 | 1.085 | -0.014 | 1 | 6 | |
LiO | lithium oxide | rLiO | 1.688 | 1.676 | -0.012 | 1 | 2 | |
GaF | Gallium monofluoride | rFGa | 1.774 | ±0.000 | 1.762 | -0.012 | 1 | 2 |
CBr4 | Carbon tetrabromide | rCBr | 1.942 | ±0.002 | 1.930 | -0.012 | 1 | 2 |
LiBr | Lithium Bromide | rLiBr | 2.170 | ±0.000 | 2.159 | -0.012 | 1 | 2 |
C8H8 | cubane | rCH | 1.097 | 1.086 | -0.011 | 1 | 9 | |
CH3CH2CHO | Propanal | rCH | 1.103 | 1.095 | -0.008 | 1 | 6 | |
B2H6 | Diborane | rBH | 1.200 | 1.192 | -0.008 | 1 | 5 | |
C3F6 | hexafluoropropene | rC=C | 1.329 | ±0.003 | 1.321 | -0.008 | 1 | 2 |
CH3CH2CHO | Propanal | rCH | 1.115 | 1.108 | -0.007 | 3 | 10 | |
C10H8 | Azulene | rC:C | 1.414 | 1.408 | -0.007 | 7 | 9 | |
C2H | Ethynyl radical | rC#C | 1.217 | 1.210 | -0.007 | 1 | 2 | |
SiP | Silicon monophosphide | rSiP | 2.078 | ±0.002 | 2.071 | -0.006 | 1 | 2 |
CH2NH | Methanimine | rCH | 1.103 | 1.097 | -0.006 | 1 | 3 | |
GaBr | Gallium monobromide | rGaBr | 2.352 | ±0.000 | 2.346 | -0.006 | 1 | 2 |
CH3CHO | Acetaldehyde | rCH | 1.114 | 1.108 | -0.006 | 1 | 4 | |
SF4 | Sulfur tetrafluoride | rSF | 1.646 | ±0.003 | 1.640 | -0.006 | 1 | 2 |
SiBr+ | Silicon monobromide cation | rSiBr | 2.095 | ±0.000 | 2.091 | -0.005 | 1 | 2 |
C3H6O | 2-Propen-1-ol | rCH | 1.092 | ±0.010 | 1.087 | -0.005 | 2 | 7 |
HNCNH | diiminomethane | rC=N | 1.224 | ±0.001 | 1.220 | -0.005 | 1 | 2 |
C10H8 | Azulene | rC:C | 1.398 | 1.394 | -0.004 | 1 | 3 | |
CH3CH2CHO | Propanal | rCH | 1.105 | 1.101 | -0.004 | 2 | 8 | |
CH3CH2OH | Ethanol | rCH | 1.098 | 1.094 | -0.004 | 1 | 6 | |
ArH+ | Argon hydride cation | rArH | 1.292 | ±0.000 | 1.288 | -0.004 | 1 | 2 |
AlF | Aluminum monofluoride | rAlF | 1.654 | ±0.000 | 1.651 | -0.004 | 1 | 2 |
Se2 | Selenium diatomic | rSe=Se | 2.166 | ±0.001 | 2.162 | -0.004 | 1 | 2 |
CHF3 | Methane, trifluoro- | rCH | 1.091 | ±0.014 | 1.088 | -0.003 | 1 | 2 |
C5H8 | Ethenylcyclopropane | rCC | 1.475 | 1.472 | -0.003 | 1 | 2 | |
C3H6O | 2-Propen-1-ol | rCH | 1.091 | ±0.010 | 1.088 | -0.003 | 3 | 9 |
C4H8O2 | Ethyl acetate | rCC | 1.508 | 1.505 | -0.003 | 1 | 2 | |
CH2 | Methylene | rCH | 1.085 | 1.082 | -0.003 | 1 | 2 | |
PS | phosphorus sulfide | rP=S | 1.900 | 1.898 | -0.002 | 1 | 2 | |
CH3NO | nitrosomethane | rCH | 1.094 | 1.092 | -0.002 | 1 | 4 | |
AlNC | Aluminum isocyanide | rAlN | 1.855 | ±0.005 | 1.853 | -0.002 | 1 | 2 |
SiH2Cl2 | dichlorosilane | rSiH | 1.480 | ±0.015 | 1.478 | -0.002 | 1 | 2 |
CH3CH2CHO | Propanal | rCH | 1.096 | 1.094 | -0.002 | 1 | 5 | |
H2CS | Thioformaldehyde | rC=S | 1.611 | 1.609 | -0.002 | 1 | 2 | |
C3H3NO | Oxazole | rCH | 1.075 | ±0.001 | 1.074 | -0.001 | 2 | 6 |
H2CSe | Selenoformaldehyde | rHC | 1.090 | 1.089 | -0.001 | 1 | 3 | |
C3H3NO | Oxazole | rCH | 1.075 | ±0.001 | 1.074 | -0.001 | 4 | 7 |
B2H6 | Diborane | rBH | 1.320 | 1.319 | -0.001 | 1 | 3 | |
C3H3NO | Oxazole | rCH | 1.073 | ±0.001 | 1.073 | -0.001 | 5 | 8 |
CH3CH2CHO | Propanal | rCC | 1.509 | 1.509 | 0.000 | 2 | 3 | |
C3H4 | cyclopropene | rCH | 1.072 | 1.072 | 0.000 | 2 | 4 | |
CH3NH2 | methyl amine | rCN | 1.471 | ±0.003 | 1.471 | 0.000 | 1 | 2 |
CH2CO | Ketene | rCH | 1.083 | 1.082 | 0.000 | 1 | 4 | |
SeCl2 | Selenium Dichloride | rClSe | 2.157 | ±0.003 | 2.157 | 0.000 | 1 | 2 |
SCSe | Carbon sulfide selenide | rC=S | 1.553 | ±0.002 | 1.553 | 0.000 | 1 | 2 |
NH3BF3 | Amminetrifluoroboron | rBN | 1.673 | 1.673 | 0.000 | 1 | 2 | |
C2H6O2S | Dimethyl sulfone | rCS | 1.777 | ±0.006 | 1.777 | 0.000 | 1 | 4 |
C2H2 | Acetylene | rCH | 1.063 | 1.063 | 0.000 | 1 | 3 | |
C3H4 | cyclopropene | rCH | 1.088 | 1.089 | 0.001 | 1 | 6 | |
CH3CCH | propyne | rCH | 1.096 | 1.097 | 0.001 | 1 | 5 | |
C2H2+ | acetylene cation | rC=C | 1.253 | ±0.001 | 1.254 | 0.001 | 1 | 2 |
C3H6 | Cyclopropane | rCH | 1.083 | 1.084 | 0.001 | 1 | 4 | |
C10H8 | Azulene | rCH | 1.080 | 1.080 | 0.001 | 9 | 17 | |
C4H8 | cyclobutane | rCH | 1.093 | 1.094 | 0.001 | 1 | 5 | |
C4H8 | cyclobutane | rCH | 1.091 | 1.092 | 0.001 | 1 | 6 | |
CH3CHFCH3 | 2-Fluoropropane | rCH | 1.094 | ±0.005 | 1.095 | 0.001 | 4 | 10 |
CH3CHFCH3 | 2-Fluoropropane | rCH | 1.093 | ±0.006 | 1.095 | 0.002 | 4 | 8 |
SiH3Cl | chlorosilane | rSiCl | 2.051 | 2.052 | 0.002 | 1 | 2 | |
C5H8O | Methyl cyclopropyl ketone | rCC | 1.510 | 1.512 | 0.002 | 2 | 3 | |
C2H2 | Acetylene | rC#C | 1.203 | 1.204 | 0.002 | 1 | 2 | |
CH2CHF | Ethene, fluoro- | rCH | 1.082 | 1.084 | 0.002 | 1 | 4 | |
CH3CHS | Thioacetaldehyde | rCH | 1.098 | 1.100 | 0.002 | 2 | 6 | |
C3H8 | Propane | rCH | 1.096 | 1.098 | 0.002 | 1 | 4 | |
CH3OC2H5 | Ethane, methoxy- | rCH | 1.092 | ±0.007 | 1.094 | 0.002 | 4 | 11 |
C10H8 | Azulene | rC:C | 1.405 | ±0.001 | 1.407 | 0.002 | 2 | 9 |
CH3CHS | Thioacetaldehyde | rCH | 1.090 | 1.092 | 0.002 | 2 | 5 | |
H2CSe | Selenoformaldehyde | rC=Se | 1.753 | 1.755 | 0.002 | 1 | 2 | |
C3H6O | 2-Propen-1-ol | rCH | 1.102 | ±0.020 | 1.104 | 0.002 | 1 | 6 |
CH3CHClCH3 | Propane, 2-chloro- | rCH | 1.091 | 1.093 | 0.002 | 2 | 5 | |
C2H2+ | acetylene cation | rCH | 1.077 | ±0.005 | 1.079 | 0.003 | 1 | 3 |
CH3CCH | propyne | rCH | 1.060 | 1.063 | 0.003 | 3 | 4 | |
CH3OC2H5 | Ethane, methoxy- | rCH | 1.100 | ±0.003 | 1.103 | 0.003 | 3 | 8 |
CH3OC2H5 | Ethane, methoxy- | rCH | 1.099 | ±0.007 | 1.102 | 0.003 | 1 | 6 |
SiS | silicon monosulfide | rSiS | 1.929 | ±0.000 | 1.932 | 0.003 | 1 | 2 |
CH3OCH3 | Dimethyl ether | rCH | 1.099 | ±0.001 | 1.102 | 0.003 | 2 | 6 |
OCSe | Carbonyl selenide | rC=Se | 1.709 | 1.712 | 0.003 | 1 | 3 | |
CH3NH2 | methyl amine | rNH | 1.018 | ±0.001 | 1.021 | 0.003 | 2 | 6 |
CH2Cl2 | Methylene chloride | rCH | 1.085 | ±0.002 | 1.088 | 0.003 | 1 | 2 |
C10H8 | Azulene | rCH | 1.084 | 1.087 | 0.003 | 4 | 14 | |
C4H8O2 | Ethyl acetate | rCC | 1.515 | 1.518 | 0.003 | 5 | 6 | |
CH3NO | nitrosomethane | rCH | 1.092 | 1.095 | 0.003 | 1 | 5 | |
GeF | Germanium monofluoride | rFGe | 1.745 | 1.748 | 0.003 | 1 | 2 | |
HCl+ | hydrogen chloride cation | rHCl | 1.315 | 1.318 | 0.003 | 1 | 2 | |
HSiCl | Chlorosilylene | rSiH | 1.525 | ±0.005 | 1.528 | 0.003 | 1 | 3 |
SCSe | Carbon sulfide selenide | rC=Se | 1.695 | ±0.002 | 1.699 | 0.004 | 1 | 3 |
PF5 | Phosphorus pentafluoride | rFP | 1.577 | 1.581 | 0.004 | 1 | 5 | |
SiI4 | silicon tetraiodide | rSiI | 2.432 | ±0.005 | 2.436 | 0.004 | 1 | 2 |
C4H6 | Bicyclo[1.1.0]butane | rCC | 1.497 | 1.501 | 0.004 | 1 | 2 | |
LiOH | lithium hydroxide | rOH | 0.969 | 0.974 | 0.004 | 1 | 3 | |
CH3CH2CHO | Propanal | rCC | 1.523 | 1.528 | 0.005 | 1 | 2 | |
CH3CHClCH3 | Propane, 2-chloro- | rCH | 1.092 | 1.097 | 0.005 | 3 | 6 | |
C3H6O | 2-Propen-1-ol | rCH | 1.096 | ±0.030 | 1.101 | 0.005 | 1 | 5 |
CH3CH2CH2CH3 | Butane | rCC | 1.531 | 1.536 | 0.005 | 1 | 2 | |
SSO | Disulfur monoxide | rS=S | 1.884 | 1.890 | 0.006 | 2 | 3 | |
C2H5I | Ethyl iodide | rHC | 1.093 | 1.099 | 0.006 | 2 | 6 | |
CH3CHS | Thioacetaldehyde | rCH | 1.089 | 1.095 | 0.006 | 1 | 4 | |
CH3OC2H5 | Ethane, methoxy- | rCH | 1.089 | ±0.008 | 1.095 | 0.006 | 4 | 10 |
C10H8 | naphthalene | rC:C | 1.410 | 1.416 | 0.006 | 2 | 3 | |
CH2CHF | Ethene, fluoro- | rCH | 1.077 | 1.083 | 0.006 | 2 | 5 | |
S2 | Sulfur diatomic | rS=S | 1.889 | 1.895 | 0.006 | 1 | 2 | |
CH3CHFCH3 | 2-Fluoropropane | rCH | 1.092 | 1.098 | 0.006 | 1 | 3 | |
SiH2Cl2 | dichlorosilane | rSiCl | 2.033 | ±0.003 | 2.039 | 0.006 | 1 | 4 |
H2 | Hydrogen diatomic | rHH | 0.741 | 0.747 | 0.006 | 1 | 2 | |
CH3CHO | Acetaldehyde | rCH | 1.086 | 1.092 | 0.006 | 2 | 5 | |
CH3CSNH2 | Ethanethioamide | rC=S | 1.647 | ±0.002 | 1.653 | 0.006 | 1 | 2 |
CH4 | Methane | rCH | 1.087 | ±0.001 | 1.093 | 0.006 | 1 | 2 |
BrCl | Bromine monochloride | rClBr | 2.136 | ±0.000 | 2.142 | 0.006 | 1 | 2 |
CH3CHFCH3 | 2-Fluoropropane | rCH | 1.088 | ±0.006 | 1.095 | 0.007 | 4 | 6 |
CH2CHCH2CH3 | 1-Butene | rCC | 1.536 | 1.543 | 0.007 | 1 | 2 | |
CH3OC2H5 | Ethane, methoxy- | rCH | 1.086 | ±0.010 | 1.093 | 0.007 | 1 | 5 |
CH3CH2OH | Ethanol | rCH | 1.088 | 1.095 | 0.007 | 1 | 5 | |
C10H8 | Azulene | rCH | 1.083 | 1.090 | 0.007 | 5 | 15 | |
PN | Phosphorus mononitride | rP#N | 1.491 | 1.498 | 0.007 | 1 | 2 | |
ICN | Cyanogen iodide | rC#N | 1.160 | ±0.000 | 1.168 | 0.007 | 2 | 3 |
C3H6O | 2-Propen-1-ol | rCH | 1.078 | ±0.010 | 1.085 | 0.007 | 3 | 8 |
C10H8 | Azulene | rCH | 1.081 | 1.089 | 0.007 | 1 | 11 | |
AlI | Aluminum monoiodide | rAlI | 2.537 | ±0.000 | 2.545 | 0.007 | 1 | 2 |
BH3 | boron trihydride | rBH | 1.190 | 1.197 | 0.007 | 1 | 2 | |
NH4+ | ammonium cation | rHN | 1.029 | ±0.000 | 1.036 | 0.007 | 1 | 2 |
HeH+ | Helium hydride cation | rHHe | 0.790 | 0.797 | 0.007 | 1 | 2 | |
CH3OCH3 | Dimethyl ether | rCH | 1.085 | ±0.001 | 1.093 | 0.008 | 2 | 4 |
CH2Br2 | dibromomethane | rCBr | 1.925 | ±0.002 | 1.933 | 0.008 | 1 | 4 |
CN | Cyano radical | rC#N | 1.172 | 1.180 | 0.008 | 1 | 2 | |
CH3Br | methyl bromide | rCH | 1.082 | ±0.001 | 1.090 | 0.008 | 1 | 3 |
SiH4 | Silane | rSiH | 1.480 | ±0.000 | 1.488 | 0.008 | 1 | 2 |
HSe | Selenium monohydride | rSeH | 1.475 | ±0.010 | 1.483 | 0.008 | 1 | 2 |
SiH3Cl | chlorosilane | rSiH | 1.475 | 1.484 | 0.009 | 1 | 3 | |
PH | phosphorus monohydride | rPH | 1.422 | 1.431 | 0.009 | 1 | 2 | |
SiCl | Clorosilylidyne | rSiCl | 2.061 | ±0.000 | 2.070 | 0.009 | 1 | 2 |
GeH3F | monofluorogermane | rGeF | 1.731 | ±0.000 | 1.740 | 0.009 | 1 | 2 |
CH3Br | methyl bromide | rCBr | 1.934 | ±0.000 | 1.943 | 0.009 | 1 | 2 |
XeF2 | Xenon difluoride | rFXe | 1.974 | ±0.000 | 1.983 | 0.009 | 1 | 2 |
C2H3 | vinyl | rCH | 1.085 | 1.094 | 0.009 | 2 | 4 | |
C10H8 | Azulene | rC:C | 1.377 | 1.387 | 0.009 | 5 | 7 | |
CH2F2 | Methane, difluoro- | rCH | 1.084 | ±0.003 | 1.093 | 0.009 | 1 | 2 |
HCl | Hydrogen chloride | rHCl | 1.275 | ±0.000 | 1.284 | 0.010 | 1 | 2 |
C3F6 | hexafluoropropene | rCF | 1.329 | ±0.003 | 1.339 | 0.010 | 1 | 4 |
SiH3F | monofluorosilane | rSiH | 1.476 | 1.486 | 0.010 | 1 | 3 | |
GaAs | Gallium arsenide | rGa#As | 2.530 | ±0.020 | 2.540 | 0.010 | 1 | 2 |
CHONH2 | formamide | rNH | 1.001 | 1.011 | 0.010 | 3 | 6 | |
SiH3F | monofluorosilane | rSiF | 1.595 | 1.605 | 0.010 | 1 | 2 | |
HSiCl | Chlorosilylene | rSiCl | 2.067 | ±0.003 | 2.078 | 0.011 | 1 | 2 |
NH2CONH2 | Urea | rNH | 0.998 | 1.009 | 0.011 | 4 | 8 | |
SiF2 | Silicon difluoride | rFSi | 1.590 | ±0.000 | 1.601 | 0.011 | 1 | 2 |
SiH3+ | Silyl cation | rSiH | 1.460 | ±0.010 | 1.472 | 0.012 | 1 | 2 |
CH2CHCH2CH3 | 1-Butene | rCC | 1.493 | 1.505 | 0.012 | 2 | 3 | |
HBr+ | hydrogen bromide cation | rHBr | 1.448 | 1.461 | 0.013 | 1 | 2 | |
CHONH2 | formamide | rNH | 1.001 | 1.014 | 0.013 | 3 | 5 | |
AsH | Arsenic monohydride | rAsH | 1.535 | ±0.001 | 1.548 | 0.013 | 1 | 2 |
Cl2+ | chlorine diatomic cation | rClCl | 1.892 | 1.905 | 0.013 | 1 | 2 | |
N2 | Nitrogen diatomic | rN#N | 1.098 | 1.111 | 0.013 | 1 | 2 | |
CH3NH2 | methyl amine | rCH | 1.093 | ±0.000 | 1.106 | 0.013 | 1 | 3 |
CN- | cyanide anion | rC#N | 1.177 | ±0.004 | 1.191 | 0.014 | 1 | 2 |
SiH | Silylidyne | rSiH | 1.520 | 1.534 | 0.014 | 1 | 2 | |
HBr | hydrogen bromide | rHBr | 1.414 | ±0.000 | 1.429 | 0.015 | 1 | 2 |
NO+ | nitric oxide cation | rN=O | 1.066 | 1.081 | 0.015 | 1 | 2 | |
C2 | Carbon diatomic | rC=C | 1.243 | 1.258 | 0.016 | 1 | 2 | |
PF2 | Phosphorus difluoride | rPF | 1.579 | 1.595 | 0.016 | 1 | 2 | |
CH3CH2OH | Ethanol | rCH | 1.086 | 1.102 | 0.016 | 2 | 8 | |
XeF4 | Xenon tetrafluoride | rFXe | 1.935 | ±0.000 | 1.951 | 0.016 | 1 | 2 |
OPCl | Phosphorus oxychloride | rPCl | 2.059 | ±0.004 | 2.075 | 0.017 | 1 | 3 |
C3O2 | Carbon suboxide | rC=C | 1.251 | 1.268 | 0.017 | 1 | 2 | |
OCSe | Carbonyl selenide | rC=O | 1.159 | 1.176 | 0.017 | 1 | 2 | |
SiH2F2 | difluorosilane | rSiH | 1.462 | 1.479 | 0.017 | 1 | 4 | |
C3H6 | Cyclopropane | rCC | 1.501 | 1.518 | 0.017 | 1 | 2 | |
C2H | Ethynyl radical | rCH | 1.047 | 1.064 | 0.018 | 1 | 3 | |
BeH2 | beryllium dihydride | rBeH | 1.326 | ±0.000 | 1.345 | 0.018 | 1 | 2 |
SiO | Silicon monoxide | rSiO | 1.510 | ±0.000 | 1.528 | 0.018 | 1 | 2 |
CO+ | carbon monoxide cation | rC=O | 1.115 | ±0.000 | 1.134 | 0.019 | 1 | 2 |
H2Se | Hydrogen selenide | rSeH | 1.460 | 1.479 | 0.019 | 1 | 2 | |
CH2Cl2 | Methylene chloride | rCCl | 1.767 | ±0.002 | 1.786 | 0.019 | 1 | 4 |
OPCl | Phosphorus oxychloride | rP=O | 1.462 | ±0.011 | 1.481 | 0.019 | 1 | 2 |
FNO2 | Nitryl fluoride | rNF | 1.467 | ±0.015 | 1.487 | 0.020 | 1 | 2 |
C3H5 | Allyl radical | rCH | 1.069 | 1.089 | 0.020 | 1 | 2 | |
C10H8 | Azulene | rC:C | 1.484 | 1.504 | 0.020 | 7 | 8 | |
C4H8O2 | Ethyl acetate | rC=O | 1.203 | 1.223 | 0.020 | 2 | 4 | |
N3 | azide radical | rNN | 1.181 | 1.202 | 0.021 | 1 | 2 | |
CH2CO | Ketene | rC=O | 1.162 | 1.184 | 0.022 | 2 | 3 | |
CSe | Carbon monoselenide | rC=Se | 1.676 | ±0.000 | 1.698 | 0.022 | 1 | 2 |
ICN | Cyanogen iodide | rCI | 1.992 | ±0.000 | 2.014 | 0.022 | 1 | 2 |
NH2SH | Thiohydroxylamine | rSH | 1.344 | ±0.029 | 1.366 | 0.022 | 2 | 3 |
CF3COOH | trifluoroacetic acid | rC=O | 1.192 | ±0.003 | 1.214 | 0.022 | 2 | 4 |
C5H6 | Propellane | rCC | 1.525 | ±0.002 | 1.547 | 0.022 | 1 | 2 |
CH2I2 | Diiodomethane | rCH | 1.066 | ±0.015 | 1.089 | 0.023 | 1 | 4 |
BH | Boron monohydride | rBH | 1.232 | 1.256 | 0.023 | 1 | 2 | |
BN | boron nitride | rB=N | 1.325 | 1.348 | 0.023 | 1 | 2 | |
CO | Carbon monoxide | rC#O | 1.128 | ±0.000 | 1.152 | 0.024 | 1 | 2 |
BeH | beryllium monohydride | rBeH | 1.343 | 1.367 | 0.024 | 1 | 2 | |
SO+ | sulfur monoxide cation | rO=S | 1.424 | 1.448 | 0.024 | 1 | 2 | |
PF5 | Phosphorus pentafluoride | rPF | 1.534 | 1.558 | 0.024 | 1 | 2 | |
Cl2 | Chlorine diatomic | rClCl | 1.988 | 2.012 | 0.024 | 1 | 2 | |
BrF | Bromine monofluoride | rFBr | 1.759 | ±0.000 | 1.784 | 0.025 | 1 | 2 |
SF | Monosulfur monofluoride | rSF | 1.599 | 1.625 | 0.025 | 1 | 2 | |
CH | Methylidyne | rCH | 1.120 | 1.145 | 0.025 | 1 | 2 | |
C3H3NO | Oxazole | rCO | 1.357 | ±0.003 | 1.384 | 0.026 | 1 | 2 |
AsH3 | Arsine | rAsH | 1.511 | ±0.000 | 1.537 | 0.027 | 1 | 2 |
HOI | Hypoiodous acid | rOI | 1.994 | ±0.000 | 2.021 | 0.027 | 1 | 2 |
BeO | beryllium oxide | rBe=O | 1.331 | 1.358 | 0.027 | 1 | 2 | |
CI4 | tetraiodomethane | rCI | 2.157 | ±0.010 | 2.184 | 0.027 | 1 | 2 |
F2 | Fluorine diatomic | rFF | 1.412 | 1.439 | 0.027 | 1 | 2 | |
GeO | Germanium monoxide | rOGe | 1.625 | 1.652 | 0.027 | 1 | 2 | |
HOCl | hypochlorous acid | rOH | 0.973 | ±0.002 | 1.001 | 0.028 | 1 | 2 |
C3H3NO | Oxazole | rCO | 1.370 | ±0.002 | 1.398 | 0.028 | 1 | 5 |
CH3OC2H5 | Ethane, methoxy- | rCO | 1.415 | ±0.005 | 1.444 | 0.029 | 1 | 2 |
C4H8O2 | Ethyl acetate | rCO | 1.345 | 1.374 | 0.029 | 2 | 3 | |
C2H6O2S | Dimethyl sulfone | rS=O | 1.431 | ±0.004 | 1.461 | 0.030 | 1 | 2 |
SSO | Disulfur monoxide | rS=O | 1.456 | 1.486 | 0.030 | 1 | 2 | |
BF3 | Borane, trifluoro- | rBF | 1.307 | 1.338 | 0.030 | 1 | 2 | |
HOI | Hypoiodous acid | rOH | 0.967 | ±0.008 | 0.998 | 0.031 | 1 | 3 |
BO | boron monoxide | rB=O | 1.205 | 1.236 | 0.031 | 1 | 2 | |
C5H8O | Cyclopentanone | rCC | 1.504 | 1.535 | 0.031 | 2 | 3 | |
HO2 | Hydroperoxy radical | rOH | 0.971 | 1.003 | 0.032 | 1 | 3 | |
CH3OCH3 | Dimethyl ether | rCO | 1.411 | ±0.001 | 1.444 | 0.033 | 1 | 2 |
MgH | magnesium monohydride | rMgH | 1.730 | 1.763 | 0.033 | 1 | 2 | |
SeO2 | Selenium dioxide | rSeO | 1.607 | ±0.001 | 1.640 | 0.033 | 1 | 2 |
H2O | Water | rOH | 0.958 | ±0.000 | 0.991 | 0.033 | 1 | 2 |
CHF3 | Methane, trifluoro- | rCF | 1.328 | ±0.003 | 1.362 | 0.033 | 1 | 3 |
GeH | germylidene | rGeH | 1.588 | 1.622 | 0.034 | 1 | 2 | |
H2Te | Hydrogen Telluride | rHTe | 1.651 | ±0.000 | 1.686 | 0.034 | 1 | 2 |
CH2F2 | Methane, difluoro- | rCF | 1.351 | ±0.001 | 1.385 | 0.034 | 1 | 4 |
LiI | Lithium Iodide | rLiI | 2.392 | ±0.000 | 2.427 | 0.035 | 1 | 2 |
NO | Nitric oxide | rN=O | 1.154 | ±0.000 | 1.189 | 0.035 | 1 | 2 |
TeH | Telluryl radical | rHTe | 1.656 | ±0.000 | 1.691 | 0.035 | 1 | 2 |
SbH3 | Stibine | rSbH | 1.700 | ±0.000 | 1.735 | 0.035 | 1 | 2 |
GeCl | Germanium monochloride | rClGe | 2.164 | ±0.000 | 2.200 | 0.036 | 1 | 2 |
SF4 | Sulfur tetrafluoride | rSF | 1.545 | ±0.003 | 1.582 | 0.037 | 1 | 4 |
GeH3F | monofluorogermane | rGeH | 1.515 | ±0.000 | 1.552 | 0.038 | 1 | 3 |
C3O2 | Carbon suboxide | rC=O | 1.146 | 1.184 | 0.038 | 2 | 4 | |
OH | Hydroxyl radical | rOH | 0.970 | 1.012 | 0.042 | 1 | 2 | |
CH3OC2H5 | Ethane, methoxy- | rCO | 1.407 | ±0.004 | 1.449 | 0.042 | 2 | 3 |
B2 | Boron diatomic | rBB | 1.590 | 1.632 | 0.042 | 1 | 2 | |
HOCl | hypochlorous acid | rClO | 1.697 | ±0.001 | 1.740 | 0.043 | 1 | 3 |
BF | Boron monofluoride | rBF | 1.267 | ±0.000 | 1.310 | 0.043 | 1 | 2 |
SeO | Selenium monoxide | rSeO | 1.639 | ±0.001 | 1.683 | 0.044 | 1 | 2 |
FNO2 | Nitryl fluoride | rN=O | 1.180 | ±0.005 | 1.224 | 0.044 | 1 | 3 |
ClF | Chlorine monofluoride | rFCl | 1.628 | ±0.000 | 1.672 | 0.044 | 1 | 2 |
LiH | Lithium Hydride | rLiH | 1.595 | ±0.000 | 1.639 | 0.044 | 1 | 2 |
SO | Sulfur monoxide | rS=O | 1.481 | 1.526 | 0.045 | 1 | 2 | |
HF | Hydrogen fluoride | rHF | 0.917 | ±0.000 | 0.962 | 0.046 | 1 | 2 |
CF | Fluoromethylidyne | rCF | 1.276 | 1.323 | 0.047 | 1 | 2 | |
TeO | Tellurium monoxide | rO=Te | 1.825 | 1.876 | 0.051 | 1 | 2 | |
HF+ | hydrogen fluoride cation | rHF | 1.014 | 1.067 | 0.053 | 1 | 2 | |
LiCl | lithium chloride | rLiCl | 2.021 | ±0.000 | 2.074 | 0.053 | 1 | 2 |
C5H6 | Propellane | rCC | 1.596 | ±0.005 | 1.655 | 0.059 | 2 | 5 |
ClO | Monochlorine monoxide | rClO | 1.596 | ±0.001 | 1.655 | 0.059 | 1 | 2 |
BrO | Bromine monoxide | rOBr | 1.718 | 1.780 | 0.062 | 1 | 2 | |
HNO3 | Nitric acid | rNO | 1.406 | 1.468 | 0.062 | 1 | 2 | |
FO | Oxygen monofluoride | rFO | 1.354 | 1.420 | 0.066 | 1 | 2 | |
O2+ | diatomic oxygen cation | rOO | 1.116 | 1.185 | 0.068 | 1 | 2 | |
C4H8O2 | Ethyl acetate | rCO | 1.448 | 1.518 | 0.070 | 5 | 6 | |
IF | Iodine monofluoride | rFI | 1.910 | 1.982 | 0.072 | 1 | 2 | |
NaLi | lithium sodium | rLiNa | 2.889 | 2.962 | 0.073 | 1 | 2 | |
NO- | nitric oxide anion | rN=O | 1.258 | ±0.010 | 1.335 | 0.077 | 1 | 2 |
HO2 | Hydroperoxy radical | rOO | 1.331 | 1.411 | 0.080 | 1 | 2 | |
NCl | nitrogen monochloride | rNCl | 1.611 | ±0.000 | 1.691 | 0.081 | 1 | 2 |
O2 | Oxygen diatomic | rO=O | 1.208 | 1.290 | 0.082 | 1 | 2 | |
IO | Iodine monoxide | rIO | 1.868 | ±0.004 | 1.952 | 0.084 | 1 | 2 |
Li2 | Lithium diatomic | rLiLi | 2.673 | 2.758 | 0.085 | 1 | 2 | |
OH- | hydroxide anion | rOH | 0.964 | 1.051 | 0.087 | 1 | 2 | |
CaBr | Calcium monobromide | rCaBr | 2.594 | ±0.000 | 2.684 | 0.091 | 1 | 2 |
CaC | Calcium monocarbide | rC#Ca | 2.302 | 2.442 | 0.140 | 1 | 2 | |
He2+ | helium diatomic cation | rHeHe | 1.081 | ±0.001 | 1.225 | 0.145 | 1 | 2 |
ICl | Iodine monochloride | rClI | 2.321 | ±0.000 | 2.498 | 0.177 | 1 | 2 |
IBr | Iodine monobromide | rBrI | 2.469 | ±0.000 | 2.649 | 0.180 | 1 | 2 |
CaO | Calcium monoxide | rOCa | 1.822 | 2.037 | 0.215 | 1 | 2 | |
C4H10O | Methyl propyl ether | rCH | 1.099 | 1.444 | 0.345 | 1 | 2 |