| Species | 
Name | 
Bond type | 
Bond Length (Å) | 
| Experimental | 
unc. | 
Calculated | 
Difference | 
atom1 | 
atom2 | 
| C4H10O | 
Methyl propyl ether | 
rCC | 
1.530 | 
  | 
1.089 | 
-0.441 | 
5 | 
13 | 
| C5H6 | 
Bicyclo[2.1.0]pent-2-ene | 
rCC | 
1.560 | 
  | 
1.505 | 
-0.055 | 
3 | 
5 | 
| CH2O2 | 
Dioxirane | 
rOO | 
1.516 | 
±0.003 | 
1.464 | 
-0.052 | 
4 | 
5 | 
| CH3ONO | 
Methyl nitrite | 
rNO | 
1.398 | 
  | 
1.347 | 
-0.051 | 
2 | 
6 | 
| C6H6 | 
Fulvene | 
rCH | 
1.130 | 
±0.030 | 
1.081 | 
-0.049 | 
2 | 
7 | 
| CH3NO3 | 
Methyl nitrate | 
rNO | 
1.402 | 
  | 
1.355 | 
-0.047 | 
1 | 
4 | 
| C4H6 | 
Methylenecyclopropane | 
rCC | 
1.457 | 
  | 
1.410 | 
-0.047 | 
2 | 
5 | 
| C5H8 | 
Bicyclo[2.1.0]pentane | 
rCC | 
1.536 | 
  | 
1.490 | 
-0.046 | 
1 | 
5 | 
| C6H5OCH3 | 
Anisole | 
rCO | 
1.399 | 
  | 
1.354 | 
-0.045 | 
1 | 
7 | 
| C5H6 | 
Propellane | 
rCC | 
1.596 | 
±0.005 | 
1.555 | 
-0.041 | 
2 | 
5 | 
| C4H10O | 
Ethoxy ethane | 
rCH | 
1.100 | 
  | 
1.061 | 
-0.039 | 
2 | 
6 | 
| C5H10 | 
2-Pentene, (Z)- | 
rCC | 
1.561 | 
  | 
1.523 | 
-0.038 | 
1 | 
5 | 
| F2 | 
Fluorine diatomic | 
rFF | 
1.412 | 
  | 
1.378 | 
-0.034 | 
1 | 
2 | 
| LiO | 
lithium oxide | 
rLiO | 
1.688 | 
  | 
1.658 | 
-0.030 | 
1 | 
2 | 
| C2H2O2 | 
Ethanedial | 
rCH | 
1.132 | 
  | 
1.103 | 
-0.029 | 
1 | 
3 | 
| F2O | 
Difluorine monoxide | 
rFO | 
1.405 | 
  | 
1.376 | 
-0.029 | 
1 | 
2 | 
| C4H10O | 
Ethoxy ethane | 
rCH | 
1.092 | 
  | 
1.064 | 
-0.028 | 
4 | 
10 | 
| ScH | 
Scandium monohydride | 
rScH | 
1.775 | 
±0.000 | 
1.748 | 
-0.027 | 
1 | 
2 | 
| C3F6 | 
hexafluoropropene | 
rCF | 
1.329 | 
±0.003 | 
1.302 | 
-0.027 | 
1 | 
4 | 
| C6H5OCH3 | 
Anisole | 
rCO | 
1.433 | 
  | 
1.407 | 
-0.026 | 
7 | 
8 | 
| C5H9N | 
Pentanenitrile | 
rCC | 
1.478 | 
  | 
1.452 | 
-0.026 | 
4 | 
6 | 
| ClO | 
Monochlorine monoxide | 
rClO | 
1.596 | 
±0.001 | 
1.571 | 
-0.025 | 
1 | 
2 | 
| CH3CH2CH2CH3 | 
Butane | 
rCH | 
1.117 | 
  | 
1.092 | 
-0.025 | 
1 | 
5 | 
| N2O3 | 
Dinitrogen trioxide | 
rN=O | 
1.217 | 
  | 
1.192 | 
-0.025 | 
2 | 
5 | 
| FO | 
Oxygen monofluoride | 
rFO | 
1.354 | 
  | 
1.331 | 
-0.023 | 
1 | 
2 | 
| C4H10O | 
Ethoxy ethane | 
rCH | 
1.090 | 
  | 
1.067 | 
-0.023 | 
4 | 
12 | 
| C5H6 | 
Bicyclo[2.1.0]pent-2-ene | 
rCC | 
1.530 | 
  | 
1.507 | 
-0.023 | 
1 | 
3 | 
| CH2NN | 
diazomethane | 
rC=N | 
1.300 | 
  | 
1.277 | 
-0.023 | 
1 | 
2 | 
| C4H6 | 
Bicyclo[1.1.0]butane | 
rCC | 
1.497 | 
  | 
1.474 | 
-0.023 | 
1 | 
2 | 
| C4H8O2 | 
Ethyl acetate | 
rCH | 
1.105 | 
  | 
1.083 | 
-0.022 | 
1 | 
7 | 
| LiOH | 
lithium hydroxide | 
rOH | 
0.969 | 
  | 
0.947 | 
-0.022 | 
1 | 
3 | 
| C5H6 | 
1-Buten-3-yne, 2-methyl- | 
rCC | 
1.445 | 
  | 
1.423 | 
-0.022 | 
7 | 
8 | 
| C10H8 | 
Azulene | 
rC:C | 
1.414 | 
  | 
1.393 | 
-0.021 | 
7 | 
9 | 
| N(CH3)3 | 
Trimethylamine | 
rCH | 
1.109 | 
  | 
1.088 | 
-0.021 | 
2 | 
8 | 
| C5H6 | 
Propellane | 
rCC | 
1.525 | 
±0.002 | 
1.504 | 
-0.021 | 
1 | 
2 | 
| C5H8 | 
Cyclopentene | 
rCC | 
1.518 | 
  | 
1.497 | 
-0.021 | 
2 | 
4 | 
| CH3COCl | 
Acetyl Chloride | 
rCH | 
1.105 | 
  | 
1.085 | 
-0.020 | 
2 | 
5 | 
| C3H6O | 
Propylene oxide | 
rCC | 
1.513 | 
  | 
1.493 | 
-0.020 | 
2 | 
6 | 
| C2H5F | 
fluoroethane | 
rCF | 
1.398 | 
±0.007 | 
1.378 | 
-0.020 | 
1 | 
3 | 
| CH2NN | 
diazomethane | 
rCH | 
1.075 | 
  | 
1.055 | 
-0.020 | 
1 | 
4 | 
| HO2 | 
Hydroperoxy radical | 
rOO | 
1.331 | 
  | 
1.311 | 
-0.020 | 
1 | 
2 | 
| CH3COCl | 
Acetyl Chloride | 
rCC | 
1.506 | 
  | 
1.487 | 
-0.019 | 
1 | 
2 | 
| C5H5N | 
Pyridine | 
rC:C | 
1.400 | 
  | 
1.381 | 
-0.019 | 
2 | 
5 | 
| CH2FCl | 
fluorochloromethane | 
rCF | 
1.370 | 
±0.001 | 
1.351 | 
-0.019 | 
1 | 
2 | 
| HOBr | 
Hypobromous acid | 
rBrO | 
1.834 | 
  | 
1.815 | 
-0.019 | 
2 | 
3 | 
| As2 | 
Arsenic diatomic | 
rAs#As | 
2.103 | 
  | 
2.084 | 
-0.019 | 
1 | 
2 | 
| FNO2 | 
Nitryl fluoride | 
rNF | 
1.467 | 
±0.015 | 
1.448 | 
-0.019 | 
1 | 
2 | 
| C5H8 | 
Ethenylcyclopropane | 
rCH | 
1.099 | 
  | 
1.080 | 
-0.019 | 
1 | 
6 | 
| NH2F | 
monofluoroamine | 
rNF | 
1.433 | 
  | 
1.414 | 
-0.018 | 
1 | 
2 | 
| HNO3 | 
Nitric acid | 
rNO | 
1.406 | 
  | 
1.388 | 
-0.018 | 
1 | 
2 | 
| CH3NH2 | 
methyl amine | 
rCN | 
1.471 | 
±0.003 | 
1.453 | 
-0.018 | 
1 | 
2 | 
| CH3COCH2CH3 | 
2-Butanone | 
rCC | 
1.531 | 
  | 
1.513 | 
-0.018 | 
3 | 
4 | 
| As4 | 
Arsenic tetramer | 
rAsAs | 
2.435 | 
  | 
2.418 | 
-0.017 | 
1 | 
2 | 
| C5H8 | 
1,3-Butadiene, 2-methyl- | 
rCC | 
1.512 | 
  | 
1.495 | 
-0.017 | 
2 | 
5 | 
| NO | 
Nitric oxide | 
rN=O | 
1.154 | 
±0.000 | 
1.136 | 
-0.017 | 
1 | 
2 | 
| C6H6 | 
Fulvene | 
rC=C | 
1.349 | 
±0.002 | 
1.332 | 
-0.017 | 
1 | 
2 | 
| CFCl3 | 
Trichloromonofluoromethane | 
rCF | 
1.345 | 
±0.003 | 
1.328 | 
-0.017 | 
1 | 
2 | 
| CH3CH2CHO | 
Propanal | 
rCH | 
1.103 | 
  | 
1.087 | 
-0.016 | 
1 | 
6 | 
| CH3CH2CHO | 
Propanal | 
rCC | 
1.509 | 
  | 
1.493 | 
-0.016 | 
2 | 
3 | 
| CH3OC2H5 | 
Ethane, methoxy- | 
rCO | 
1.415 | 
±0.005 | 
1.399 | 
-0.016 | 
1 | 
2 | 
| O2+ | 
diatomic oxygen cation | 
rOO | 
1.116 | 
  | 
1.101 | 
-0.016 | 
1 | 
2 | 
| CH2O2 | 
Dioxirane | 
rCO | 
1.388 | 
±0.004 | 
1.372 | 
-0.015 | 
1 | 
4 | 
| CH2CCHCH3 | 
1,2-Butadiene | 
rC=C | 
1.314 | 
  | 
1.299 | 
-0.015 | 
1 | 
2 | 
| CH3ONO | 
Methyl nitrite | 
rCH | 
1.102 | 
  | 
1.087 | 
-0.015 | 
1 | 
4 | 
| NSe | 
Nitrogen monoselenide | 
rN=Se | 
1.652 | 
  | 
1.637 | 
-0.015 | 
1 | 
2 | 
| C6H6 | 
Fulvene | 
rC=C | 
1.355 | 
±0.004 | 
1.340 | 
-0.015 | 
3 | 
5 | 
| B2H6 | 
Diborane | 
rBH | 
1.200 | 
  | 
1.185 | 
-0.015 | 
1 | 
5 | 
| H2CSe | 
Selenoformaldehyde | 
rC=Se | 
1.753 | 
  | 
1.739 | 
-0.014 | 
1 | 
2 | 
| HOCl | 
hypochlorous acid | 
rClO | 
1.697 | 
±0.001 | 
1.684 | 
-0.014 | 
1 | 
3 | 
| C6H5OH | 
phenol | 
rC:C | 
1.398 | 
  | 
1.384 | 
-0.014 | 
1 | 
2 | 
| O2 | 
Oxygen diatomic | 
rO=O | 
1.208 | 
  | 
1.194 | 
-0.014 | 
1 | 
2 | 
| C5H8 | 
Cyclobutane, methylene- | 
rCC | 
1.524 | 
  | 
1.511 | 
-0.013 | 
1 | 
3 | 
| N3 | 
azide radical | 
rNN | 
1.181 | 
  | 
1.168 | 
-0.013 | 
1 | 
2 | 
| CH3NC | 
methyl isocyanide | 
rCN | 
1.426 | 
±0.003 | 
1.413 | 
-0.013 | 
1 | 
2 | 
| C5H8 | 
Bicyclo[2.1.0]pentane | 
rCC | 
1.565 | 
  | 
1.552 | 
-0.013 | 
3 | 
4 | 
| C4H5N | 
(E)-2-Butenenitrile | 
rCC | 
1.432 | 
  | 
1.419 | 
-0.013 | 
8 | 
10 | 
| C3H3NO | 
Oxazole | 
rCO | 
1.357 | 
±0.003 | 
1.345 | 
-0.013 | 
1 | 
2 | 
| ClCN | 
chlorocyanogen | 
rC#N | 
1.161 | 
  | 
1.148 | 
-0.013 | 
2 | 
3 | 
| CN | 
Cyano radical | 
rC#N | 
1.172 | 
  | 
1.159 | 
-0.012 | 
1 | 
2 | 
| C10H8 | 
Azulene | 
rC:C | 
1.398 | 
  | 
1.386 | 
-0.012 | 
1 | 
3 | 
| C4H6 | 
Cyclobutene | 
rCC | 
1.517 | 
  | 
1.505 | 
-0.012 | 
1 | 
3 | 
| C8H8 | 
cubane | 
rCH | 
1.097 | 
  | 
1.085 | 
-0.012 | 
1 | 
9 | 
| CH3OCHO | 
methyl formate | 
rCO | 
1.437 | 
  | 
1.425 | 
-0.012 | 
1 | 
2 | 
| C10H8 | 
Azulene | 
rC:C | 
1.405 | 
±0.001 | 
1.392 | 
-0.012 | 
2 | 
9 | 
| NS+ | 
nitrogen sulfide cation | 
rNS | 
1.440 | 
  | 
1.428 | 
-0.012 | 
1 | 
2 | 
| C2H3Cl | 
Ethene, chloro- | 
rCH | 
1.090 | 
  | 
1.078 | 
-0.012 | 
1 | 
4 | 
| CH3CH2CH2CH3 | 
Butane | 
rCC | 
1.531 | 
  | 
1.519 | 
-0.012 | 
1 | 
2 | 
| CH2CHCH2CH3 | 
1-Butene | 
rCC | 
1.536 | 
  | 
1.524 | 
-0.012 | 
1 | 
2 | 
| C2H2+ | 
acetylene cation | 
rC=C | 
1.253 | 
±0.001 | 
1.241 | 
-0.012 | 
1 | 
2 | 
| C4H8O2 | 
Ethyl acetate | 
rCC | 
1.515 | 
  | 
1.503 | 
-0.012 | 
5 | 
6 | 
| C5H10 | 
Cyclopropane, 1,1-dimethyl- | 
rCC | 
1.514 | 
  | 
1.502 | 
-0.012 | 
1 | 
4 | 
| C4H8O2 | 
Ethyl acetate | 
rCC | 
1.508 | 
  | 
1.496 | 
-0.012 | 
1 | 
2 | 
| N2O3 | 
Dinitrogen trioxide | 
rN=O | 
1.142 | 
  | 
1.130 | 
-0.012 | 
1 | 
3 | 
| NO+ | 
nitric oxide cation | 
rN=O | 
1.066 | 
  | 
1.054 | 
-0.012 | 
1 | 
2 | 
| CH3NO3 | 
Methyl nitrate | 
rCH | 
1.095 | 
  | 
1.083 | 
-0.012 | 
5 | 
8 | 
| CH2NH | 
Methanimine | 
rCH | 
1.103 | 
  | 
1.091 | 
-0.012 | 
1 | 
3 | 
| HCCl | 
Chloromethylene | 
rCH | 
1.119 | 
±0.036 | 
1.107 | 
-0.012 | 
1 | 
3 | 
| FNO2 | 
Nitryl fluoride | 
rN=O | 
1.180 | 
±0.005 | 
1.169 | 
-0.011 | 
1 | 
3 | 
| AsF5 | 
Arsenic pentafluoride | 
rAsF | 
1.711 | 
±0.005 | 
1.700 | 
-0.011 | 
1 | 
5 | 
| CH3OCH3 | 
Dimethyl ether | 
rCO | 
1.411 | 
±0.001 | 
1.400 | 
-0.011 | 
1 | 
2 | 
| H2Cl+ | 
dihydrogen monochloride cation | 
rHCl | 
1.321 | 
±0.000 | 
1.309 | 
-0.011 | 
1 | 
2 | 
| P2 | 
Phosphorus diatomic | 
rP#P | 
1.893 | 
  | 
1.882 | 
-0.011 | 
1 | 
2 | 
| CH3CH2CHO | 
Propanal | 
rCH | 
1.115 | 
  | 
1.104 | 
-0.011 | 
3 | 
10 | 
| CH3COCl | 
Acetyl Chloride | 
rC=O | 
1.187 | 
  | 
1.176 | 
-0.011 | 
1 | 
3 | 
| C3H3NO | 
Oxazole | 
rCO | 
1.370 | 
±0.002 | 
1.359 | 
-0.011 | 
1 | 
5 | 
| HClO4 | 
perchloric acid | 
rOH | 
0.980 | 
  | 
0.969 | 
-0.011 | 
3 | 
6 | 
| OCSe | 
Carbonyl selenide | 
rC=O | 
1.159 | 
  | 
1.148 | 
-0.011 | 
1 | 
2 | 
| HOCl | 
hypochlorous acid | 
rOH | 
0.973 | 
±0.002 | 
0.963 | 
-0.010 | 
1 | 
2 | 
| CH3CH2OH | 
Ethanol | 
rCH | 
1.098 | 
  | 
1.088 | 
-0.010 | 
1 | 
6 | 
| CH3CH2CHO | 
Propanal | 
rCH | 
1.105 | 
  | 
1.095 | 
-0.010 | 
2 | 
8 | 
| N2O3 | 
Dinitrogen trioxide | 
rN=O | 
1.202 | 
  | 
1.192 | 
-0.010 | 
2 | 
4 | 
| BrF5 | 
bromine pentafluoride | 
rFBr | 
1.774 | 
±0.003 | 
1.764 | 
-0.010 | 
1 | 
3 | 
| H2CS | 
Thioformaldehyde | 
rC=S | 
1.611 | 
  | 
1.601 | 
-0.010 | 
1 | 
2 | 
| N2 | 
Nitrogen diatomic | 
rN#N | 
1.098 | 
  | 
1.088 | 
-0.010 | 
1 | 
2 | 
| BrO | 
Bromine monoxide | 
rOBr | 
1.718 | 
  | 
1.708 | 
-0.010 | 
1 | 
2 | 
| CO+ | 
carbon monoxide cation | 
rC=O | 
1.115 | 
±0.000 | 
1.106 | 
-0.010 | 
1 | 
2 | 
| CH2PH | 
Phosphaethene | 
rCH | 
1.090 | 
±0.015 | 
1.080 | 
-0.010 | 
1 | 
3 | 
| CH3NH2 | 
methyl amine | 
rNH | 
1.018 | 
±0.001 | 
1.009 | 
-0.010 | 
2 | 
6 | 
| CH3CH(CH3)CH3 | 
Isobutane | 
rCH | 
1.100 | 
  | 
1.091 | 
-0.009 | 
3 | 
6 | 
| PN | 
Phosphorus mononitride | 
rP#N | 
1.491 | 
  | 
1.482 | 
-0.009 | 
1 | 
2 | 
| C2H2O2 | 
Ethanedial | 
rCC | 
1.526 | 
  | 
1.517 | 
-0.009 | 
1 | 
2 | 
| CH3ONO | 
Methyl nitrite | 
rCO | 
1.437 | 
  | 
1.428 | 
-0.009 | 
1 | 
2 | 
| C3H6O | 
2-Propen-1-ol | 
rCH | 
1.091 | 
±0.010 | 
1.082 | 
-0.009 | 
3 | 
9 | 
| B2H6 | 
Diborane | 
rBH | 
1.320 | 
  | 
1.311 | 
-0.009 | 
1 | 
3 | 
| CH2 | 
Methylene | 
rCH | 
1.085 | 
  | 
1.076 | 
-0.009 | 
1 | 
2 | 
| CH3SeH | 
Methane selenol | 
rSeH | 
1.473 | 
±0.020 | 
1.464 | 
-0.009 | 
1 | 
3 | 
| NO- | 
nitric oxide anion | 
rN=O | 
1.258 | 
±0.010 | 
1.249 | 
-0.009 | 
1 | 
2 | 
| C3H6O | 
2-Propen-1-ol | 
rCH | 
1.092 | 
±0.010 | 
1.083 | 
-0.009 | 
2 | 
7 | 
| CH3NHCH3 | 
Dimethylamine | 
rCH | 
1.098 | 
  | 
1.089 | 
-0.009 | 
3 | 
7 | 
| C6H6 | 
Fulvene | 
rCC | 
1.476 | 
±0.008 | 
1.468 | 
-0.008 | 
5 | 
6 | 
| CH2PH | 
Phosphaethene | 
rCH | 
1.090 | 
±0.015 | 
1.082 | 
-0.008 | 
1 | 
4 | 
| C2H2 | 
Acetylene | 
rC#C | 
1.203 | 
  | 
1.194 | 
-0.008 | 
1 | 
2 | 
| BN | 
boron nitride | 
rB=N | 
1.325 | 
  | 
1.317 | 
-0.008 | 
1 | 
2 | 
| NH4+ | 
ammonium cation | 
rHN | 
1.029 | 
±0.000 | 
1.020 | 
-0.008 | 
1 | 
2 | 
| CH3CH2CHO | 
Propanal | 
rCC | 
1.523 | 
  | 
1.515 | 
-0.008 | 
1 | 
2 | 
| CH3OCHO | 
methyl formate | 
rCO | 
1.334 | 
  | 
1.326 | 
-0.008 | 
2 | 
3 | 
| CF | 
Fluoromethylidyne | 
rCF | 
1.276 | 
  | 
1.268 | 
-0.008 | 
1 | 
2 | 
| C5H8 | 
Ethenylcyclopropane | 
rCC | 
1.475 | 
  | 
1.467 | 
-0.008 | 
1 | 
2 | 
| CH3NC | 
methyl isocyanide | 
rCH | 
1.094 | 
  | 
1.086 | 
-0.008 | 
1 | 
4 | 
| C5H8 | 
Bicyclo[2.1.0]pentane | 
rCC | 
1.528 | 
  | 
1.520 | 
-0.008 | 
1 | 
3 | 
| HCCl | 
Chloromethylene | 
rCCl | 
1.696 | 
±0.003 | 
1.688 | 
-0.008 | 
1 | 
2 | 
| SeCl2 | 
Selenium Dichloride | 
rClSe | 
2.157 | 
±0.003 | 
2.149 | 
-0.008 | 
1 | 
2 | 
| SiH2Cl2 | 
dichlorosilane | 
rSiH | 
1.480 | 
±0.015 | 
1.472 | 
-0.008 | 
1 | 
2 | 
| HNCNH | 
diiminomethane | 
rC=N | 
1.224 | 
±0.001 | 
1.216 | 
-0.008 | 
1 | 
2 | 
| CH3CCH | 
propyne | 
rCH | 
1.096 | 
  | 
1.088 | 
-0.008 | 
1 | 
5 | 
| CH3COCH2CH3 | 
2-Butanone | 
rCH | 
1.095 | 
  | 
1.087 | 
-0.008 | 
4 | 
9 | 
| CH3CH2CHO | 
Propanal | 
rCH | 
1.096 | 
  | 
1.089 | 
-0.007 | 
1 | 
5 | 
| CSe | 
Carbon monoselenide | 
rC=Se | 
1.676 | 
±0.000 | 
1.669 | 
-0.007 | 
1 | 
2 | 
| H2CSe | 
Selenoformaldehyde | 
rHC | 
1.090 | 
  | 
1.083 | 
-0.007 | 
1 | 
3 | 
| HSe | 
Selenium monohydride | 
rSeH | 
1.475 | 
±0.010 | 
1.468 | 
-0.007 | 
1 | 
2 | 
| CH3ONO | 
Methyl nitrite | 
rCH | 
1.090 | 
  | 
1.083 | 
-0.007 | 
1 | 
3 | 
| SiP | 
Silicon monophosphide | 
rSiP | 
2.078 | 
±0.002 | 
2.070 | 
-0.007 | 
1 | 
2 | 
| CH2C(CH3)CH3 | 
1-Propene, 2-methyl- | 
rCH | 
1.088 | 
  | 
1.081 | 
-0.007 | 
2 | 
3 | 
| AsH | 
Arsenic monohydride | 
rAsH | 
1.535 | 
±0.001 | 
1.528 | 
-0.007 | 
1 | 
2 | 
| SeO | 
Selenium monoxide | 
rSeO | 
1.639 | 
±0.001 | 
1.632 | 
-0.007 | 
1 | 
2 | 
| CH3NO | 
nitrosomethane | 
rCH | 
1.094 | 
  | 
1.087 | 
-0.007 | 
1 | 
4 | 
| C5H5N | 
Pyridine | 
rC:C | 
1.390 | 
  | 
1.383 | 
-0.007 | 
3 | 
5 | 
| CCl2O | 
Phosgene | 
rC=O | 
1.177 | 
  | 
1.170 | 
-0.007 | 
1 | 
2 | 
| CH3COCH2CH3 | 
2-Butanone | 
rCH | 
1.096 | 
  | 
1.089 | 
-0.007 | 
1 | 
7 | 
| CH2CO | 
Ketene | 
rC=O | 
1.162 | 
  | 
1.155 | 
-0.007 | 
2 | 
3 | 
| CN- | 
cyanide anion | 
rC#N | 
1.177 | 
±0.004 | 
1.170 | 
-0.007 | 
1 | 
2 | 
| CS | 
carbon monosulfide | 
rC#S | 
1.535 | 
  | 
1.528 | 
-0.007 | 
1 | 
2 | 
| ClF | 
Chlorine monofluoride | 
rFCl | 
1.628 | 
±0.000 | 
1.622 | 
-0.007 | 
1 | 
2 | 
| CH2CO | 
Ketene | 
rCH | 
1.083 | 
  | 
1.076 | 
-0.007 | 
1 | 
4 | 
| CH3COCH2CH3 | 
2-Butanone | 
rCH | 
1.091 | 
  | 
1.084 | 
-0.007 | 
1 | 
6 | 
| CH3COCH2CH3 | 
2-Butanone | 
rCH | 
1.093 | 
  | 
1.087 | 
-0.006 | 
4 | 
10 | 
| C3H6O | 
2-Propen-1-ol | 
rCH | 
1.102 | 
±0.020 | 
1.096 | 
-0.006 | 
1 | 
6 | 
| CH3CHO | 
Acetaldehyde | 
rCH | 
1.114 | 
  | 
1.108 | 
-0.006 | 
1 | 
4 | 
| C3H6 | 
Cyclopropane | 
rCC | 
1.501 | 
  | 
1.495 | 
-0.006 | 
1 | 
2 | 
| C4H6S | 
Thiophene, 2,5-dihydro- | 
rCH | 
1.095 | 
  | 
1.089 | 
-0.006 | 
2 | 
6 | 
| SeO2 | 
Selenium dioxide | 
rSeO | 
1.607 | 
±0.001 | 
1.601 | 
-0.006 | 
1 | 
2 | 
| CH3CHFCH3 | 
2-Fluoropropane | 
rCH | 
1.093 | 
±0.006 | 
1.087 | 
-0.006 | 
4 | 
8 | 
| CH3CHS | 
Thioacetaldehyde | 
rCH | 
1.098 | 
  | 
1.092 | 
-0.006 | 
2 | 
6 | 
| CH3ONO | 
Methyl nitrite | 
rN=O | 
1.182 | 
  | 
1.176 | 
-0.006 | 
6 | 
7 | 
| C3F6 | 
hexafluoropropene | 
rC=C | 
1.329 | 
±0.003 | 
1.323 | 
-0.006 | 
1 | 
2 | 
| HF+ | 
hydrogen fluoride cation | 
rHF | 
1.014 | 
  | 
1.009 | 
-0.006 | 
1 | 
2 | 
| C4H8O2 | 
Ethyl acetate | 
rCO | 
1.345 | 
  | 
1.339 | 
-0.006 | 
2 | 
3 | 
| S2+ | 
sulfur diatomic cation | 
rS=S | 
1.825 | 
±0.010 | 
1.819 | 
-0.006 | 
1 | 
2 | 
| BrF | 
Bromine monofluoride | 
rFBr | 
1.759 | 
±0.000 | 
1.753 | 
-0.006 | 
1 | 
2 | 
| CH3CHFCH3 | 
2-Fluoropropane | 
rCH | 
1.094 | 
±0.005 | 
1.088 | 
-0.006 | 
4 | 
10 | 
| HS+ | 
sulfur monohydride cation | 
rSH | 
1.374 | 
  | 
1.369 | 
-0.006 | 
1 | 
2 | 
| OH | 
Hydroxyl radical | 
rOH | 
0.970 | 
  | 
0.964 | 
-0.006 | 
1 | 
2 | 
| CH3OCHO | 
methyl formate | 
rCH | 
1.101 | 
  | 
1.095 | 
-0.006 | 
3 | 
8 | 
| CH3CHS | 
Thioacetaldehyde | 
rCH | 
1.090 | 
  | 
1.085 | 
-0.005 | 
2 | 
5 | 
| CH3NO3 | 
Methyl nitrate | 
rCH | 
1.088 | 
  | 
1.083 | 
-0.005 | 
5 | 
6 | 
| Se2 | 
Selenium diatomic | 
rSe=Se | 
2.166 | 
±0.001 | 
2.161 | 
-0.005 | 
1 | 
2 | 
| CSe2 | 
Carbon diselenide | 
rC=Se | 
1.692 | 
±0.000 | 
1.687 | 
-0.005 | 
1 | 
2 | 
| C3H8 | 
Propane | 
rCH | 
1.096 | 
  | 
1.091 | 
-0.005 | 
1 | 
4 | 
| SiC | 
silicon monocarbide | 
rCSi | 
1.722 | 
  | 
1.717 | 
-0.005 | 
1 | 
2 | 
| HeH+ | 
Helium hydride cation | 
rHHe | 
0.790 | 
  | 
0.785 | 
-0.005 | 
1 | 
2 | 
| CH2FCl | 
fluorochloromethane | 
rCH | 
1.090 | 
±0.010 | 
1.085 | 
-0.005 | 
1 | 
4 | 
| SOCl2 | 
thionyl chloride | 
rS=O | 
1.443 | 
±0.006 | 
1.438 | 
-0.005 | 
1 | 
2 | 
| GeO | 
Germanium monoxide | 
rOGe | 
1.625 | 
  | 
1.619 | 
-0.005 | 
1 | 
2 | 
| PS | 
phosphorus sulfide | 
rP=S | 
1.900 | 
  | 
1.895 | 
-0.005 | 
1 | 
2 | 
| C4H8 | 
cyclobutane | 
rCH | 
1.093 | 
  | 
1.088 | 
-0.005 | 
1 | 
5 | 
| C4H6 | 
Cyclobutene | 
rCH | 
1.094 | 
  | 
1.089 | 
-0.005 | 
3 | 
7 | 
| CH3CHClCH3 | 
Propane, 2-chloro- | 
rCH | 
1.091 | 
  | 
1.086 | 
-0.005 | 
2 | 
5 | 
| C6H5OH | 
phenol | 
rCO | 
1.364 | 
  | 
1.359 | 
-0.005 | 
1 | 
7 | 
| CH3OC2H5 | 
Ethane, methoxy- | 
rCH | 
1.092 | 
±0.007 | 
1.087 | 
-0.005 | 
4 | 
11 | 
| C2H2ClF | 
1-chloro-1-fluoroethylene | 
rCH | 
1.082 | 
±0.001 | 
1.077 | 
-0.005 | 
2 | 
5 | 
| BF | 
Boron monofluoride | 
rBF | 
1.267 | 
±0.000 | 
1.262 | 
-0.005 | 
1 | 
2 | 
| C3H6 | 
Cyclopropane | 
rCH | 
1.083 | 
  | 
1.079 | 
-0.004 | 
1 | 
4 | 
| COBr2 | 
Carbonic dibromide | 
rC=O | 
1.172 | 
±0.003 | 
1.168 | 
-0.004 | 
1 | 
2 | 
| CH2Cl2 | 
Methylene chloride | 
rCH | 
1.085 | 
±0.002 | 
1.081 | 
-0.004 | 
1 | 
2 | 
| CH3NC | 
methyl isocyanide | 
rC#N | 
1.166 | 
±0.003 | 
1.162 | 
-0.004 | 
2 | 
3 | 
| C6H6 | 
Fulvene | 
rCC | 
1.470 | 
±0.004 | 
1.466 | 
-0.004 | 
1 | 
3 | 
| C2H5F | 
fluoroethane | 
rCC | 
1.505 | 
±0.007 | 
1.501 | 
-0.004 | 
1 | 
2 | 
| BO | 
boron monoxide | 
rB=O | 
1.205 | 
  | 
1.200 | 
-0.004 | 
1 | 
2 | 
| C5H8 | 
1,3-Butadiene, 2-methyl- | 
rCC | 
1.463 | 
  | 
1.459 | 
-0.004 | 
2 | 
3 | 
| CH3OCH3 | 
Dimethyl ether | 
rCH | 
1.099 | 
±0.001 | 
1.095 | 
-0.004 | 
2 | 
6 | 
| C4H8 | 
cyclobutane | 
rCH | 
1.091 | 
  | 
1.087 | 
-0.004 | 
1 | 
6 | 
| CH3OC2H5 | 
Ethane, methoxy- | 
rCH | 
1.099 | 
±0.007 | 
1.095 | 
-0.004 | 
1 | 
6 | 
| C2H5F | 
fluoroethane | 
rCH | 
1.095 | 
±0.007 | 
1.091 | 
-0.004 | 
1 | 
4 | 
| C10H8 | 
naphthalene | 
rC:C | 
1.410 | 
  | 
1.406 | 
-0.004 | 
2 | 
3 | 
| CH2O2 | 
Dioxirane | 
rCH | 
1.090 | 
±0.002 | 
1.087 | 
-0.004 | 
1 | 
2 | 
| C2HF3 | 
Trifluoroethylene | 
rCF | 
1.316 | 
±0.011 | 
1.312 | 
-0.004 | 
1 | 
3 | 
| CHF3 | 
Methane, trifluoro- | 
rCH | 
1.091 | 
±0.014 | 
1.087 | 
-0.004 | 
1 | 
2 | 
| C3H4O | 
Methylketene | 
rCH | 
1.083 | 
  | 
1.079 | 
-0.004 | 
2 | 
5 | 
| CH2Br2 | 
dibromomethane | 
rCBr | 
1.925 | 
±0.002 | 
1.922 | 
-0.003 | 
1 | 
4 | 
| CHBr3 | 
bromoform | 
rCBr | 
1.924 | 
±0.005 | 
1.921 | 
-0.003 | 
1 | 
3 | 
| CO | 
Carbon monoxide | 
rC#O | 
1.128 | 
±0.000 | 
1.125 | 
-0.003 | 
1 | 
2 | 
| C6H5OH | 
phenol | 
rCH | 
1.082 | 
  | 
1.079 | 
-0.003 | 
4 | 
11 | 
| C10H8 | 
Azulene | 
rCH | 
1.084 | 
  | 
1.081 | 
-0.003 | 
4 | 
14 | 
| CH3CH(CH3)CH3 | 
Isobutane | 
rCH | 
1.092 | 
  | 
1.089 | 
-0.003 | 
3 | 
9 | 
| PO | 
Phosphorus monoxide | 
rP=O | 
1.476 | 
  | 
1.473 | 
-0.003 | 
1 | 
2 | 
| CF3COOH | 
trifluoroacetic acid | 
rC=O | 
1.192 | 
±0.003 | 
1.189 | 
-0.003 | 
2 | 
4 | 
| C5H10 | 
2-Pentene, (Z)- | 
rCH | 
1.092 | 
  | 
1.089 | 
-0.003 | 
1 | 
2 | 
| OH- | 
hydroxide anion | 
rOH | 
0.964 | 
  | 
0.961 | 
-0.003 | 
1 | 
2 | 
| SO+ | 
sulfur monoxide cation | 
rO=S | 
1.424 | 
  | 
1.421 | 
-0.003 | 
1 | 
2 | 
| CH3OC2H5 | 
Ethane, methoxy- | 
rCH | 
1.100 | 
±0.003 | 
1.097 | 
-0.003 | 
3 | 
8 | 
| C4H6 | 
Cyclobutene | 
rCH | 
1.083 | 
  | 
1.080 | 
-0.003 | 
1 | 
5 | 
| CH3NO | 
nitrosomethane | 
rCH | 
1.092 | 
  | 
1.089 | 
-0.003 | 
1 | 
5 | 
| CH3OCHO | 
methyl formate | 
rCH | 
1.086 | 
  | 
1.083 | 
-0.003 | 
1 | 
5 | 
| C2H5F | 
fluoroethane | 
rCH | 
1.091 | 
±0.007 | 
1.088 | 
-0.003 | 
2 | 
6 | 
| OCSe | 
Carbonyl selenide | 
rC=Se | 
1.709 | 
  | 
1.706 | 
-0.003 | 
1 | 
3 | 
| C3H6O | 
2-Propen-1-ol | 
rCH | 
1.096 | 
±0.030 | 
1.093 | 
-0.003 | 
1 | 
5 | 
| C10H8 | 
Azulene | 
rCH | 
1.080 | 
  | 
1.077 | 
-0.003 | 
9 | 
17 | 
| NaF | 
sodium fluoride | 
rNaF | 
1.926 | 
±0.000 | 
1.923 | 
-0.003 | 
1 | 
2 | 
| CH3CSNH2 | 
Ethanethioamide | 
rC=S | 
1.647 | 
±0.002 | 
1.645 | 
-0.002 | 
1 | 
2 | 
| C2H2 | 
Acetylene | 
rCH | 
1.063 | 
  | 
1.061 | 
-0.002 | 
1 | 
3 | 
| CH2CHF | 
Ethene, fluoro- | 
rCH | 
1.082 | 
  | 
1.080 | 
-0.002 | 
1 | 
4 | 
| C2H5F | 
fluoroethane | 
rCH | 
1.090 | 
±0.007 | 
1.088 | 
-0.002 | 
2 | 
7 | 
| CH3CHClCH3 | 
Propane, 2-chloro- | 
rCH | 
1.092 | 
  | 
1.090 | 
-0.002 | 
3 | 
6 | 
| BrF3 | 
Bromine trifluoride | 
rFBr | 
1.810 | 
±0.000 | 
1.808 | 
-0.002 | 
1 | 
3 | 
| C6H5OH | 
phenol | 
rCH | 
1.084 | 
  | 
1.082 | 
-0.002 | 
2 | 
9 | 
| C4H8O2 | 
Ethyl acetate | 
rC=O | 
1.203 | 
  | 
1.201 | 
-0.002 | 
2 | 
4 | 
| C4H10O | 
Ethoxy ethane | 
rCC | 
1.517 | 
  | 
1.515 | 
-0.002 | 
2 | 
4 | 
| CH3CH2Cl | 
Ethyl chloride | 
rCH | 
1.086 | 
  | 
1.084 | 
-0.002 | 
2 | 
7 | 
| C6H6 | 
Fulvene | 
rCH | 
1.080 | 
±0.005 | 
1.078 | 
-0.002 | 
5 | 
11 | 
| C3H4 | 
cyclopropene | 
rCH | 
1.088 | 
  | 
1.086 | 
-0.002 | 
1 | 
6 | 
| CH3Br | 
methyl bromide | 
rCBr | 
1.934 | 
±0.000 | 
1.932 | 
-0.002 | 
1 | 
2 | 
| C3H3NO | 
Oxazole | 
rCH | 
1.073 | 
±0.001 | 
1.072 | 
-0.002 | 
5 | 
8 | 
| C3H3NO | 
Oxazole | 
rCH | 
1.075 | 
±0.001 | 
1.073 | 
-0.002 | 
4 | 
7 | 
| CH3OC2H5 | 
Ethane, methoxy- | 
rCO | 
1.407 | 
±0.004 | 
1.406 | 
-0.001 | 
2 | 
3 | 
| CH4 | 
Methane | 
rCH | 
1.087 | 
±0.001 | 
1.086 | 
-0.001 | 
1 | 
2 | 
| CH2Cl2 | 
Methylene chloride | 
rCCl | 
1.767 | 
±0.002 | 
1.766 | 
-0.001 | 
1 | 
4 | 
| CH3CHO | 
Acetaldehyde | 
rCH | 
1.086 | 
  | 
1.085 | 
-0.001 | 
2 | 
5 | 
| CH2CHCH2CH3 | 
1-Butene | 
rCC | 
1.493 | 
  | 
1.492 | 
-0.001 | 
2 | 
3 | 
| CFCl3 | 
Trichloromonofluoromethane | 
rCCl | 
1.764 | 
±0.001 | 
1.762 | 
-0.001 | 
1 | 
3 | 
| CH3OC2H5 | 
Ethane, methoxy- | 
rCH | 
1.089 | 
±0.008 | 
1.088 | 
-0.001 | 
4 | 
10 | 
| CH3COCH2CH3 | 
2-Butanone | 
rCH | 
1.093 | 
  | 
1.092 | 
-0.001 | 
3 | 
12 | 
| C3H3NO | 
Oxazole | 
rCH | 
1.075 | 
±0.001 | 
1.074 | 
-0.001 | 
2 | 
6 | 
| CH3COCH2CH3 | 
2-Butanone | 
rCC | 
1.512 | 
  | 
1.511 | 
-0.001 | 
2 | 
3 | 
| CBrClF2 | 
Methane, bromochlorodifluoro- | 
rCBr | 
1.932 | 
±0.004 | 
1.931 | 
-0.001 | 
1 | 
2 | 
| CH3CH2Cl | 
Ethyl chloride | 
rCH | 
1.090 | 
  | 
1.090 | 
-0.001 | 
1 | 
3 | 
| C6H6 | 
Fulvene | 
rCH | 
1.078 | 
±0.005 | 
1.077 | 
-0.001 | 
3 | 
9 | 
| HCCCN | 
Cyanoacetylene | 
rCH | 
1.062 | 
±0.001 | 
1.062 | 
-0.001 | 
4 | 
5 | 
| CH3CHFCH3 | 
2-Fluoropropane | 
rCH | 
1.092 | 
  | 
1.091 | 
-0.001 | 
1 | 
3 | 
| C10H8 | 
Azulene | 
rC:C | 
1.484 | 
  | 
1.483 | 
-0.001 | 
7 | 
8 | 
| C5H10 | 
2-Pentene, (Z)- | 
rCC | 
1.490 | 
  | 
1.489 | 
-0.001 | 
8 | 
14 | 
| CH3Br | 
methyl bromide | 
rCH | 
1.082 | 
±0.001 | 
1.082 | 
-0.001 | 
1 | 
3 | 
| H2O | 
Water | 
rOH | 
0.958 | 
±0.000 | 
0.957 | 
0.000 | 
1 | 
2 | 
| C5H10 | 
Cyclopropane, 1,1-dimethyl- | 
rCH | 
1.080 | 
  | 
1.080 | 
0.000 | 
2 | 
6 | 
| CF3COOH | 
trifluoroacetic acid | 
rCC | 
1.546 | 
±0.005 | 
1.546 | 
0.000 | 
1 | 
2 | 
| C2H3Cl | 
Ethene, chloro- | 
rCH | 
1.079 | 
  | 
1.079 | 
0.000 | 
2 | 
5 | 
| Br2 | 
Bromine diatomic | 
rBrBr | 
2.281 | 
  | 
2.281 | 
0.000 | 
1 | 
2 | 
| CH3CHS | 
Thioacetaldehyde | 
rCH | 
1.089 | 
  | 
1.089 | 
0.000 | 
1 | 
4 | 
| GeS | 
Germanium monosulfide | 
rS=Ge | 
2.012 | 
±0.000 | 
2.012 | 
0.000 | 
1 | 
2 | 
| BrCl | 
Bromine monochloride | 
rClBr | 
2.136 | 
±0.000 | 
2.136 | 
0.000 | 
1 | 
2 | 
| CH3CH2OH | 
Ethanol | 
rCH | 
1.088 | 
  | 
1.088 | 
0.000 | 
1 | 
5 | 
| H2 | 
Hydrogen diatomic | 
rHH | 
0.741 | 
  | 
0.741 | 
0.000 | 
1 | 
2 | 
| ClCN | 
chlorocyanogen | 
rCCl | 
1.629 | 
  | 
1.629 | 
0.000 | 
1 | 
2 | 
| CH3OC2H5 | 
Ethane, methoxy- | 
rCH | 
1.086 | 
±0.010 | 
1.086 | 
0.000 | 
1 | 
5 | 
| NH2SH | 
Thiohydroxylamine | 
rSH | 
1.344 | 
±0.029 | 
1.344 | 
0.000 | 
2 | 
3 | 
| CH3CCH | 
propyne | 
rCH | 
1.060 | 
  | 
1.060 | 
0.000 | 
3 | 
4 | 
| CH3CHFCH3 | 
2-Fluoropropane | 
rCH | 
1.088 | 
±0.006 | 
1.088 | 
0.000 | 
4 | 
6 | 
| BrF3 | 
Bromine trifluoride | 
rFBr | 
1.721 | 
  | 
1.721 | 
0.000 | 
1 | 
2 | 
| HOBr | 
Hypobromous acid | 
rOH | 
0.961 | 
  | 
0.961 | 
0.000 | 
1 | 
2 | 
| C2H2+ | 
acetylene cation | 
rCH | 
1.077 | 
±0.005 | 
1.077 | 
0.001 | 
1 | 
3 | 
| PO- | 
phosphorus monoxide anion | 
rOP | 
1.540 | 
  | 
1.541 | 
0.001 | 
1 | 
2 | 
| CH3NHCH3 | 
Dimethylamine | 
rCH | 
1.098 | 
  | 
1.099 | 
0.001 | 
3 | 
5 | 
| C3H4 | 
cyclopropene | 
rCH | 
1.072 | 
  | 
1.073 | 
0.001 | 
2 | 
4 | 
| SiHCl3 | 
Trichlorosilane | 
rSiH | 
1.464 | 
  | 
1.465 | 
0.001 | 
1 | 
2 | 
| CH2F2 | 
Methane, difluoro- | 
rCF | 
1.351 | 
±0.001 | 
1.352 | 
0.001 | 
1 | 
4 | 
| C10H8 | 
Azulene | 
rCH | 
1.081 | 
  | 
1.082 | 
0.001 | 
1 | 
11 | 
| NH3BF3 | 
Amminetrifluoroboron | 
rBN | 
1.673 | 
  | 
1.674 | 
0.001 | 
1 | 
2 | 
| HO2 | 
Hydroperoxy radical | 
rOH | 
0.971 | 
  | 
0.972 | 
0.001 | 
1 | 
3 | 
| C10H8 | 
Azulene | 
rCH | 
1.083 | 
  | 
1.083 | 
0.001 | 
5 | 
15 | 
| CH3OCH3 | 
Dimethyl ether | 
rCH | 
1.085 | 
±0.001 | 
1.086 | 
0.001 | 
2 | 
4 | 
| HS- | 
mercapto anion | 
rSH | 
1.343 | 
  | 
1.344 | 
0.001 | 
1 | 
2 | 
| CH2CHF | 
Ethene, fluoro- | 
rCH | 
1.077 | 
  | 
1.078 | 
0.001 | 
2 | 
5 | 
| SiH4 | 
Silane | 
rSiH | 
1.480 | 
±0.000 | 
1.481 | 
0.001 | 
1 | 
2 | 
| C2H6O2S | 
Dimethyl sulfone | 
rCS | 
1.777 | 
±0.006 | 
1.778 | 
0.001 | 
1 | 
4 | 
| HSSSH | 
trisulfane | 
rSS | 
2.054 | 
±0.000 | 
2.055 | 
0.001 | 
1 | 
2 | 
| HSiCl | 
Chlorosilylene | 
rSiH | 
1.525 | 
±0.005 | 
1.526 | 
0.001 | 
1 | 
3 | 
| C4H8O2 | 
1,3-Dioxane | 
rCO | 
1.393 | 
  | 
1.394 | 
0.001 | 
1 | 
2 | 
| HF | 
Hydrogen fluoride | 
rHF | 
0.917 | 
±0.000 | 
0.918 | 
0.002 | 
1 | 
2 | 
| BeH | 
beryllium monohydride | 
rBeH | 
1.343 | 
  | 
1.344 | 
0.002 | 
1 | 
2 | 
| SiH3F | 
monofluorosilane | 
rSiH | 
1.476 | 
  | 
1.478 | 
0.002 | 
1 | 
3 | 
| HClO4 | 
perchloric acid | 
rO=Cl | 
1.414 | 
±0.001 | 
1.416 | 
0.002 | 
1 | 
2 | 
| LiF | 
lithium fluoride | 
rLiF | 
1.564 | 
±0.000 | 
1.566 | 
0.002 | 
1 | 
2 | 
| C3H6O | 
2-Propen-1-ol | 
rCH | 
1.078 | 
±0.010 | 
1.080 | 
0.002 | 
3 | 
8 | 
| CH3NH2 | 
methyl amine | 
rCH | 
1.093 | 
±0.000 | 
1.095 | 
0.002 | 
1 | 
3 | 
| BeH2 | 
beryllium dihydride | 
rBeH | 
1.326 | 
±0.000 | 
1.328 | 
0.002 | 
1 | 
2 | 
| BH | 
Boron monohydride | 
rBH | 
1.232 | 
  | 
1.235 | 
0.002 | 
1 | 
2 | 
| CH | 
Methylidyne | 
rCH | 
1.120 | 
  | 
1.122 | 
0.002 | 
1 | 
2 | 
| SiH3Cl | 
chlorosilane | 
rSiH | 
1.475 | 
  | 
1.477 | 
0.002 | 
1 | 
3 | 
| CHF3 | 
Methane, trifluoro- | 
rCF | 
1.328 | 
±0.003 | 
1.331 | 
0.002 | 
1 | 
3 | 
| CH3CH2O | 
Ethoxy radical | 
rCH | 
1.085 | 
  | 
1.087 | 
0.002 | 
1 | 
5 | 
| H2Se | 
Hydrogen selenide | 
rSeH | 
1.460 | 
  | 
1.462 | 
0.002 | 
1 | 
2 | 
| C10H8 | 
Azulene | 
rC:C | 
1.377 | 
  | 
1.380 | 
0.002 | 
5 | 
7 | 
| C2 | 
Carbon diatomic | 
rC=C | 
1.243 | 
  | 
1.245 | 
0.003 | 
1 | 
2 | 
| SSO | 
Disulfur monoxide | 
rS=S | 
1.884 | 
  | 
1.887 | 
0.003 | 
2 | 
3 | 
| LiOH | 
lithium hydroxide | 
rLiO | 
1.582 | 
  | 
1.584 | 
0.003 | 
1 | 
2 | 
| OPCl | 
Phosphorus oxychloride | 
rP=O | 
1.462 | 
±0.011 | 
1.465 | 
0.003 | 
1 | 
2 | 
| MgH+ | 
magnesium monohydride cation | 
rMgH | 
1.652 | 
  | 
1.655 | 
0.003 | 
1 | 
2 | 
| DF | 
Hydrofluoric acid-d | 
rDF | 
0.917 | 
±0.000 | 
0.920 | 
0.003 | 
1 | 
2 | 
| CH3CH2O | 
Ethoxy radical | 
rCH | 
1.086 | 
  | 
1.089 | 
0.003 | 
1 | 
4 | 
| BF3 | 
Borane, trifluoro- | 
rBF | 
1.307 | 
  | 
1.310 | 
0.003 | 
1 | 
2 | 
| SiO | 
Silicon monoxide | 
rSiO | 
1.510 | 
±0.000 | 
1.513 | 
0.003 | 
1 | 
2 | 
| SiS | 
silicon monosulfide | 
rSiS | 
1.929 | 
±0.000 | 
1.932 | 
0.003 | 
1 | 
2 | 
| SCl | 
sulfur monochloride | 
rSCl | 
1.975 | 
  | 
1.978 | 
0.003 | 
1 | 
2 | 
| C3H4O | 
Methylketene | 
rCH | 
1.083 | 
  | 
1.086 | 
0.003 | 
3 | 
6 | 
| HBr | 
hydrogen bromide | 
rHBr | 
1.414 | 
±0.000 | 
1.418 | 
0.003 | 
1 | 
2 | 
| HCl | 
Hydrogen chloride | 
rHCl | 
1.275 | 
±0.000 | 
1.278 | 
0.003 | 
1 | 
2 | 
| CH3NHCH3 | 
Dimethylamine | 
rCH | 
1.084 | 
  | 
1.088 | 
0.004 | 
3 | 
9 | 
| C6H5OH | 
phenol | 
rCH | 
1.076 | 
  | 
1.080 | 
0.004 | 
3 | 
10 | 
| HS | 
Mercapto radical | 
rSH | 
1.341 | 
  | 
1.345 | 
0.004 | 
1 | 
2 | 
| Cl2 | 
Chlorine diatomic | 
rClCl | 
1.988 | 
  | 
1.992 | 
0.004 | 
1 | 
2 | 
| Cl2+ | 
chlorine diatomic cation | 
rClCl | 
1.892 | 
  | 
1.895 | 
0.004 | 
1 | 
2 | 
| DS | 
Mercapto-d | 
rSD | 
1.341 | 
  | 
1.345 | 
0.004 | 
1 | 
2 | 
| PH | 
phosphorus monohydride | 
rPH | 
1.422 | 
  | 
1.426 | 
0.004 | 
1 | 
2 | 
| C2H3 | 
vinyl | 
rCH | 
1.085 | 
  | 
1.089 | 
0.004 | 
2 | 
4 | 
| HClO4 | 
perchloric acid | 
rOCl | 
1.641 | 
±0.002 | 
1.645 | 
0.004 | 
1 | 
3 | 
| HBr+ | 
hydrogen bromide cation | 
rHBr | 
1.448 | 
  | 
1.453 | 
0.004 | 
1 | 
2 | 
| CH2F2 | 
Methane, difluoro- | 
rCH | 
1.084 | 
±0.003 | 
1.089 | 
0.005 | 
1 | 
2 | 
| KrH+ | 
Protonated Krypton | 
rHKr | 
1.421 | 
±0.000 | 
1.426 | 
0.005 | 
1 | 
2 | 
| NS | 
Mononitrogen monosulfide | 
rNS | 
1.497 | 
±0.000 | 
1.502 | 
0.005 | 
1 | 
2 | 
| NCl | 
nitrogen monochloride | 
rNCl | 
1.611 | 
±0.000 | 
1.616 | 
0.005 | 
1 | 
2 | 
| SSO | 
Disulfur monoxide | 
rS=O | 
1.456 | 
  | 
1.462 | 
0.006 | 
1 | 
2 | 
| CCl2O | 
Phosgene | 
rCCl | 
1.737 | 
  | 
1.742 | 
0.006 | 
2 | 
3 | 
| NH2CONH2 | 
Urea | 
rNH | 
0.998 | 
  | 
1.004 | 
0.006 | 
4 | 
8 | 
| PF5 | 
Phosphorus pentafluoride | 
rFP | 
1.577 | 
  | 
1.583 | 
0.006 | 
1 | 
5 | 
| S2 | 
Sulfur diatomic | 
rS=S | 
1.889 | 
  | 
1.896 | 
0.006 | 
1 | 
2 | 
| SCl2 | 
Sulfur dichloride | 
rSCl | 
2.013 | 
±0.001 | 
2.019 | 
0.006 | 
1 | 
2 | 
| AsF | 
Arsenic monofluoride | 
rFAs | 
1.736 | 
±0.001 | 
1.742 | 
0.006 | 
1 | 
2 | 
| SO | 
Sulfur monoxide | 
rS=O | 
1.481 | 
  | 
1.487 | 
0.006 | 
1 | 
2 | 
| HCl+ | 
hydrogen chloride cation | 
rHCl | 
1.315 | 
  | 
1.321 | 
0.006 | 
1 | 
2 | 
| LiBr | 
Lithium Bromide | 
rLiBr | 
2.170 | 
±0.000 | 
2.177 | 
0.006 | 
1 | 
2 | 
| AsH3 | 
Arsine | 
rAsH | 
1.511 | 
±0.000 | 
1.517 | 
0.007 | 
1 | 
2 | 
| NaH | 
sodium hydride | 
rNaH | 
1.887 | 
±0.000 | 
1.893 | 
0.007 | 
1 | 
2 | 
| GeBr4 | 
Germanium tetrabromide | 
rGeBr | 
2.272 | 
±0.001 | 
2.279 | 
0.007 | 
1 | 
2 | 
| C3H7N | 
Cyclopropylamine | 
rCH | 
1.080 | 
  | 
1.087 | 
0.007 | 
1 | 
2 | 
| CH3CH2OH | 
Ethanol | 
rCH | 
1.086 | 
  | 
1.094 | 
0.008 | 
2 | 
8 | 
| C3O2 | 
Carbon suboxide | 
rC=O | 
1.146 | 
  | 
1.154 | 
0.008 | 
2 | 
4 | 
| SiH3+ | 
Silyl cation | 
rSiH | 
1.460 | 
±0.010 | 
1.468 | 
0.008 | 
1 | 
2 | 
| GeH | 
germylidene | 
rGeH | 
1.588 | 
  | 
1.597 | 
0.009 | 
1 | 
2 | 
| SiH2F2 | 
difluorosilane | 
rSiH | 
1.462 | 
  | 
1.470 | 
0.009 | 
1 | 
4 | 
| C5H8 | 
Bicyclo[2.1.0]pentane | 
rCC | 
1.507 | 
  | 
1.516 | 
0.009 | 
1 | 
2 | 
| SOF4 | 
Sulfur tetrafluoride oxide | 
rFS | 
1.596 | 
±0.003 | 
1.605 | 
0.009 | 
1 | 
3 | 
| ClOF3 | 
Chlorine trifluoride oxide | 
rFCl | 
1.713 | 
±0.003 | 
1.722 | 
0.009 | 
1 | 
4 | 
| SiH | 
Silylidyne | 
rSiH | 
1.520 | 
  | 
1.530 | 
0.010 | 
1 | 
2 | 
| MgH | 
magnesium monohydride | 
rMgH | 
1.730 | 
  | 
1.740 | 
0.010 | 
1 | 
2 | 
| CH2FCl | 
fluorochloromethane | 
rCCl | 
1.762 | 
±0.000 | 
1.772 | 
0.010 | 
1 | 
3 | 
| GeH3F | 
monofluorogermane | 
rGeF | 
1.731 | 
±0.000 | 
1.741 | 
0.010 | 
1 | 
2 | 
| GeF | 
Germanium monofluoride | 
rFGe | 
1.745 | 
  | 
1.756 | 
0.010 | 
1 | 
2 | 
| SiH3Cl | 
chlorosilane | 
rSiCl | 
2.051 | 
  | 
2.061 | 
0.010 | 
1 | 
2 | 
| CH3COCl | 
Acetyl Chloride | 
rCCl | 
1.798 | 
  | 
1.809 | 
0.011 | 
1 | 
4 | 
| AlNC | 
Aluminum isocyanide | 
rAlN | 
1.855 | 
±0.005 | 
1.866 | 
0.011 | 
1 | 
2 | 
| NaLi | 
lithium sodium | 
rLiNa | 
2.889 | 
  | 
2.900 | 
0.011 | 
1 | 
2 | 
| GeF+ | 
Germanium monofluoride cation | 
rFGe | 
1.665 | 
±0.000 | 
1.677 | 
0.011 | 
1 | 
2 | 
| SF4 | 
Sulfur tetrafluoride | 
rSF | 
1.646 | 
±0.003 | 
1.657 | 
0.011 | 
1 | 
2 | 
| LiH | 
Lithium Hydride | 
rLiH | 
1.595 | 
±0.000 | 
1.607 | 
0.012 | 
1 | 
2 | 
| PF2 | 
Phosphorus difluoride | 
rPF | 
1.579 | 
  | 
1.591 | 
0.012 | 
1 | 
2 | 
| F2SO | 
Thionyl Fluoride | 
rFS | 
1.585 | 
±0.000 | 
1.597 | 
0.012 | 
1 | 
3 | 
| GeH3F | 
monofluorogermane | 
rGeH | 
1.515 | 
±0.000 | 
1.527 | 
0.012 | 
1 | 
3 | 
| OPCl | 
Phosphorus oxychloride | 
rPCl | 
2.059 | 
±0.004 | 
2.071 | 
0.012 | 
1 | 
3 | 
| F2SO | 
Thionyl Fluoride | 
rO=S | 
1.413 | 
±0.000 | 
1.425 | 
0.013 | 
1 | 
2 | 
| SiCl | 
Clorosilylidyne | 
rSiCl | 
2.061 | 
±0.000 | 
2.074 | 
0.013 | 
1 | 
2 | 
| GeCl | 
Germanium monochloride | 
rClGe | 
2.164 | 
±0.000 | 
2.177 | 
0.013 | 
1 | 
2 | 
| PF5 | 
Phosphorus pentafluoride | 
rPF | 
1.534 | 
  | 
1.547 | 
0.013 | 
1 | 
2 | 
| SF4 | 
Sulfur tetrafluoride | 
rSF | 
1.545 | 
±0.003 | 
1.558 | 
0.013 | 
1 | 
4 | 
| N(CH3)3 | 
Trimethylamine | 
rCH | 
1.088 | 
  | 
1.101 | 
0.013 | 
2 | 
5 | 
| SiH+ | 
silicon monohydride cation | 
rSiH | 
1.504 | 
  | 
1.517 | 
0.013 | 
1 | 
2 | 
| GaF | 
Gallium monofluoride | 
rFGa | 
1.774 | 
±0.000 | 
1.788 | 
0.014 | 
1 | 
2 | 
| SiH3F | 
monofluorosilane | 
rSiF | 
1.595 | 
  | 
1.609 | 
0.014 | 
1 | 
2 | 
| PF+ | 
phosphorus monofluoride cation | 
rFP | 
1.500 | 
  | 
1.515 | 
0.014 | 
1 | 
2 | 
| SiBr+ | 
Silicon monobromide cation | 
rSiBr | 
2.095 | 
±0.000 | 
2.110 | 
0.015 | 
1 | 
2 | 
| C3H5 | 
Allyl radical | 
rCH | 
1.069 | 
  | 
1.084 | 
0.015 | 
1 | 
2 | 
| SiH2Cl2 | 
dichlorosilane | 
rSiCl | 
2.033 | 
±0.003 | 
2.048 | 
0.015 | 
1 | 
4 | 
| ClOF3 | 
Chlorine trifluoride oxide | 
rFCl | 
1.603 | 
±0.004 | 
1.618 | 
0.015 | 
1 | 
3 | 
| SOF4 | 
Sulfur tetrafluoride oxide | 
rFS | 
1.539 | 
±0.003 | 
1.554 | 
0.015 | 
1 | 
5 | 
| SiF | 
silicon monofluoride | 
rSiF | 
1.604 | 
  | 
1.620 | 
0.016 | 
1 | 
2 | 
| CH3CH2O | 
Ethoxy radical | 
rCH | 
1.088 | 
  | 
1.105 | 
0.017 | 
2 | 
7 | 
| AlC | 
Aluminum carbide | 
rC=Al | 
1.955 | 
  | 
1.972 | 
0.017 | 
1 | 
2 | 
| C2H6O2S | 
Dimethyl sulfone | 
rS=O | 
1.431 | 
±0.004 | 
1.448 | 
0.017 | 
1 | 
2 | 
| BrF5 | 
bromine pentafluoride | 
rFBr | 
1.689 | 
±0.008 | 
1.706 | 
0.017 | 
1 | 
2 | 
| HSiCl | 
Chlorosilylene | 
rSiCl | 
2.067 | 
±0.003 | 
2.085 | 
0.018 | 
1 | 
2 | 
| C3O2 | 
Carbon suboxide | 
rC=C | 
1.251 | 
  | 
1.269 | 
0.018 | 
1 | 
2 | 
| CuO | 
Copper Monoxide | 
rCuO | 
1.724 | 
±0.000 | 
1.743 | 
0.019 | 
1 | 
2 | 
| SiF2 | 
Silicon difluoride | 
rFSi | 
1.590 | 
±0.000 | 
1.610 | 
0.019 | 
1 | 
2 | 
| LiCl | 
lithium chloride | 
rLiCl | 
2.021 | 
±0.000 | 
2.040 | 
0.020 | 
1 | 
2 | 
| SiHCl3 | 
Trichlorosilane | 
rSiCl | 
2.020 | 
  | 
2.040 | 
0.020 | 
1 | 
3 | 
| AsF5 | 
Arsenic pentafluoride | 
rAsF | 
1.656 | 
±0.004 | 
1.677 | 
0.021 | 
1 | 
2 | 
| HClO4 | 
perchloric acid | 
rO=Cl | 
1.404 | 
±0.001 | 
1.425 | 
0.021 | 
1 | 
4 | 
| AlF | 
Aluminum monofluoride | 
rAlF | 
1.654 | 
±0.000 | 
1.676 | 
0.022 | 
1 | 
2 | 
| CuH | 
Copper monohydride | 
rCuH | 
1.463 | 
  | 
1.485 | 
0.023 | 
1 | 
2 | 
| GaBr | 
Gallium monobromide | 
rGaBr | 
2.352 | 
±0.000 | 
2.375 | 
0.023 | 
1 | 
2 | 
| AlCl | 
Aluminum monochloride | 
rAlCl | 
2.130 | 
±0.000 | 
2.155 | 
0.024 | 
1 | 
2 | 
| B2 | 
Boron diatomic | 
rBB | 
1.590 | 
  | 
1.615 | 
0.025 | 
1 | 
2 | 
| C5H10 | 
2-Pentene, (Z)- | 
rCH | 
1.058 | 
  | 
1.085 | 
0.027 | 
12 | 
13 | 
| GaAs | 
Gallium arsenide | 
rGa#As | 
2.530 | 
±0.020 | 
2.557 | 
0.027 | 
1 | 
2 | 
| CFCl | 
chlorofluoromethylene | 
rCCl | 
1.714 | 
  | 
1.742 | 
0.028 | 
1 | 
3 | 
| AlBr | 
Aluminum monobromide | 
rAlBr | 
2.295 | 
  | 
2.323 | 
0.028 | 
1 | 
2 | 
| AsF3 | 
Arsenic trifluoride | 
rAsF | 
1.706 | 
±0.002 | 
1.734 | 
0.028 | 
1 | 
2 | 
| C3H4O | 
Cyclopropanone | 
rCC | 
1.575 | 
  | 
1.603 | 
0.028 | 
3 | 
4 | 
| ClFO3 | 
Perchloryl fluoride | 
rCl=O | 
1.400 | 
  | 
1.430 | 
0.030 | 
2 | 
3 | 
| CH2NN | 
diazomethane | 
rN=N | 
1.139 | 
  | 
1.175 | 
0.036 | 
2 | 
3 | 
| Li2 | 
Lithium diatomic | 
rLiLi | 
2.673 | 
  | 
2.714 | 
0.041 | 
1 | 
2 | 
| C4H10O | 
Ethoxy ethane | 
rCO | 
1.411 | 
  | 
1.460 | 
0.049 | 
1 | 
2 | 
| C4H8O2 | 
Ethyl acetate | 
rCO | 
1.448 | 
  | 
1.503 | 
0.055 | 
5 | 
6 | 
| ClFO3 | 
Perchloryl fluoride | 
rFCl | 
1.598 | 
  | 
1.655 | 
0.057 | 
1 | 
2 | 
| He2+ | 
helium diatomic cation | 
rHeHe | 
1.081 | 
±0.001 | 
1.141 | 
0.060 | 
1 | 
2 | 
| ArH+ | 
Argon hydride cation | 
rArH | 
1.292 | 
±0.000 | 
1.441 | 
0.149 | 
1 | 
2 | 
| Al2Cl6 | 
Aluminum, di-μ-chlorotetrachlorodi- | 
rAlCl | 
2.040 | 
±0.040 | 
2.270 | 
0.230 | 
1 | 
3 | 
| C5H8O | 
Cyclopentanone | 
rCC | 
1.504 | 
  | 
1.756 | 
0.252 | 
2 | 
3 | 
| C4H10O | 
Methyl propyl ether | 
rCH | 
1.099 | 
  | 
1.399 | 
0.300 | 
1 | 
2 | 
437 molecules.