IV.D.8. |
Average Bond Length Differences by Model Chemistry
Calculated at MP4/aug-cc-pVDZ
Species | Name | Bond type | Bond Length (Å) | |||||
---|---|---|---|---|---|---|---|---|
Experimental | unc. | Calculated | Difference | atom1 | atom2 | |||
C4H10O | Methyl propyl ether | rCC | 1.530 | 1.106 | -0.424 | 5 | 13 | |
C5H8O | Methyl cyclopropyl ketone | rCH | 1.126 | 1.101 | -0.025 | 3 | 7 | |
NH3BF3 | Amminetrifluoroboron | rBN | 1.673 | 1.656 | -0.017 | 1 | 2 | |
C2H | Ethynyl radical | rC#C | 1.217 | 1.201 | -0.016 | 1 | 2 | |
LiOH | lithium hydroxide | rOH | 0.969 | 0.957 | -0.012 | 1 | 3 | |
CH3CH2CH2CH3 | Butane | rCH | 1.117 | 1.109 | -0.008 | 1 | 5 | |
NO | Nitric oxide | rN=O | 1.154 | ±0.000 | 1.147 | -0.007 | 1 | 2 |
CO+ | carbon monoxide cation | rC=O | 1.115 | ±0.000 | 1.109 | -0.007 | 1 | 2 |
C4H8O2 | Ethyl acetate | rCH | 1.105 | 1.100 | -0.005 | 1 | 7 | |
HeH+ | Helium hydride cation | rHHe | 0.790 | 0.786 | -0.004 | 1 | 2 | |
C5H8 | Ethenylcyclopropane | rCH | 1.099 | 1.097 | -0.002 | 1 | 6 | |
H2Cl+ | dihydrogen monochloride cation | rHCl | 1.321 | ±0.000 | 1.320 | -0.001 | 1 | 2 |
SiH2Cl2 | dichlorosilane | rSiH | 1.480 | ±0.015 | 1.480 | 0.000 | 1 | 2 |
NH4+ | ammonium cation | rHN | 1.029 | ±0.000 | 1.029 | 0.000 | 1 | 2 |
CH3CH2CHO | Propanal | rCH | 1.103 | 1.104 | 0.001 | 1 | 6 | |
FO | Oxygen monofluoride | rFO | 1.354 | 1.355 | 0.001 | 1 | 2 | |
HSe | Selenium monohydride | rSeH | 1.475 | ±0.010 | 1.476 | 0.001 | 1 | 2 |
ScH | Scandium monohydride | rScH | 1.775 | ±0.000 | 1.777 | 0.001 | 1 | 2 |
HOCl | hypochlorous acid | rOH | 0.973 | ±0.002 | 0.975 | 0.001 | 1 | 2 |
B2H6 | Diborane | rBH | 1.200 | 1.202 | 0.002 | 1 | 5 | |
C3F6 | hexafluoropropene | rCF | 1.329 | ±0.003 | 1.331 | 0.002 | 1 | 4 |
CH2NH | Methanimine | rCH | 1.103 | 1.106 | 0.003 | 1 | 3 | |
ArH+ | Argon hydride cation | rArH | 1.292 | ±0.000 | 1.295 | 0.003 | 1 | 2 |
He2+ | helium diatomic cation | rHeHe | 1.081 | ±0.001 | 1.085 | 0.004 | 1 | 2 |
CH3CH2CHO | Propanal | rCH | 1.105 | 1.110 | 0.005 | 2 | 8 | |
CH3NH2 | methyl amine | rNH | 1.018 | ±0.001 | 1.023 | 0.005 | 2 | 6 |
KrH+ | Protonated Krypton | rHKr | 1.421 | ±0.000 | 1.427 | 0.005 | 1 | 2 |
C3H6O | 2-Propen-1-ol | rCH | 1.091 | ±0.010 | 1.098 | 0.007 | 3 | 9 |
CH3CH2CHO | Propanal | rCH | 1.115 | 1.122 | 0.007 | 3 | 10 | |
C3H6O | 2-Propen-1-ol | rCH | 1.092 | ±0.010 | 1.099 | 0.007 | 2 | 7 |
CH2PH | Phosphaethene | rCH | 1.090 | ±0.015 | 1.097 | 0.007 | 1 | 3 |
CH3CHO | Acetaldehyde | rCH | 1.114 | 1.121 | 0.007 | 1 | 4 | |
HS+ | sulfur monohydride cation | rSH | 1.374 | 1.382 | 0.007 | 1 | 2 | |
HO2 | Hydroperoxy radical | rOO | 1.331 | 1.338 | 0.008 | 1 | 2 | |
HBr+ | hydrogen bromide cation | rHBr | 1.448 | 1.456 | 0.008 | 1 | 2 | |
C10H8 | Azulene | rC:C | 1.414 | 1.422 | 0.008 | 7 | 9 | |
C3H6O | 2-Propen-1-ol | rCH | 1.102 | ±0.020 | 1.110 | 0.008 | 1 | 6 |
CH2 | Methylene | rCH | 1.085 | 1.093 | 0.008 | 1 | 2 | |
CH3CH2CHO | Propanal | rCH | 1.096 | 1.104 | 0.008 | 1 | 5 | |
CH3CCH | propyne | rCH | 1.096 | 1.104 | 0.008 | 1 | 5 | |
CH3CH2CH2CH3 | Butane | rCC | 1.531 | 1.539 | 0.008 | 1 | 2 | |
HCCl | Chloromethylene | rCH | 1.119 | ±0.036 | 1.127 | 0.008 | 1 | 3 |
HO2 | Hydroperoxy radical | rOH | 0.971 | 0.979 | 0.008 | 1 | 3 | |
CH2CHCH2CH3 | 1-Butene | rCC | 1.536 | 1.544 | 0.008 | 1 | 2 | |
HF | Hydrogen fluoride | rHF | 0.917 | ±0.000 | 0.925 | 0.008 | 1 | 2 |
CH3NH2 | methyl amine | rCN | 1.471 | ±0.003 | 1.480 | 0.009 | 1 | 2 |
CH2PH | Phosphaethene | rCH | 1.090 | ±0.015 | 1.099 | 0.009 | 1 | 4 |
CH2CO | Ketene | rCH | 1.083 | 1.091 | 0.009 | 1 | 4 | |
C4H8O2 | Ethyl acetate | rCC | 1.515 | 1.524 | 0.009 | 5 | 6 | |
OH | Hydroxyl radical | rOH | 0.970 | 0.979 | 0.009 | 1 | 2 | |
H2O | Water | rOH | 0.958 | ±0.000 | 0.967 | 0.009 | 1 | 2 |
CH3NO | nitrosomethane | rCH | 1.094 | 1.103 | 0.009 | 1 | 4 | |
C4H8O2 | Ethyl acetate | rCC | 1.508 | 1.517 | 0.009 | 1 | 2 | |
B2H6 | Diborane | rBH | 1.320 | 1.330 | 0.010 | 1 | 3 | |
CH3CHFCH3 | 2-Fluoropropane | rCH | 1.093 | ±0.006 | 1.103 | 0.010 | 4 | 8 |
HBr | hydrogen bromide | rHBr | 1.414 | ±0.000 | 1.425 | 0.011 | 1 | 2 |
CH3CHFCH3 | 2-Fluoropropane | rCH | 1.094 | ±0.005 | 1.105 | 0.011 | 4 | 10 |
C2H2ClF | 1-chloro-1-fluoroethylene | rCH | 1.082 | ±0.001 | 1.093 | 0.011 | 2 | 5 |
CHONH2 | formamide | rNH | 1.001 | 1.012 | 0.011 | 3 | 6 | |
BN | boron nitride | rB=N | 1.325 | 1.336 | 0.011 | 1 | 2 | |
SiH3Cl | chlorosilane | rSiH | 1.475 | 1.486 | 0.011 | 1 | 3 | |
C3H8 | Propane | rCH | 1.096 | 1.107 | 0.011 | 1 | 4 | |
CH3CH2CHO | Propanal | rCC | 1.509 | 1.520 | 0.011 | 2 | 3 | |
H2Se | Hydrogen selenide | rSeH | 1.460 | 1.471 | 0.011 | 1 | 2 | |
CH3OC2H5 | Ethane, methoxy- | rCH | 1.099 | ±0.007 | 1.110 | 0.011 | 1 | 6 |
C3H6 | Cyclopropane | rCH | 1.083 | 1.095 | 0.012 | 1 | 4 | |
CH3CH2CHO | Propanal | rCC | 1.523 | 1.535 | 0.012 | 1 | 2 | |
CH3OC2H5 | Ethane, methoxy- | rCH | 1.092 | ±0.007 | 1.104 | 0.012 | 4 | 11 |
C4H8 | cyclobutane | rCH | 1.093 | 1.105 | 0.012 | 1 | 5 | |
NH2SH | Thiohydroxylamine | rSH | 1.344 | ±0.029 | 1.356 | 0.012 | 2 | 3 |
SiH4 | Silane | rSiH | 1.480 | ±0.000 | 1.492 | 0.012 | 1 | 2 |
BeH2 | beryllium dihydride | rBeH | 1.326 | ±0.000 | 1.339 | 0.012 | 1 | 2 |
CH3CHClCH3 | Propane, 2-chloro- | rCH | 1.091 | 1.103 | 0.012 | 2 | 5 | |
CH2Cl2 | Methylene chloride | rCH | 1.085 | ±0.002 | 1.097 | 0.012 | 1 | 2 |
CH3OC2H5 | Ethane, methoxy- | rCH | 1.100 | ±0.003 | 1.112 | 0.012 | 3 | 8 |
C4H8 | cyclobutane | rCH | 1.091 | 1.104 | 0.013 | 1 | 6 | |
CH3NO | nitrosomethane | rCH | 1.092 | 1.105 | 0.013 | 1 | 5 | |
SiC | silicon monocarbide | rCSi | 1.722 | 1.735 | 0.013 | 1 | 2 | |
C3H6O | 2-Propen-1-ol | rCH | 1.096 | ±0.030 | 1.109 | 0.013 | 1 | 5 |
BeH | beryllium monohydride | rBeH | 1.343 | 1.356 | 0.013 | 1 | 2 | |
C3H4 | cyclopropene | rCH | 1.088 | 1.101 | 0.013 | 1 | 6 | |
C5H8 | Ethenylcyclopropane | rCC | 1.475 | 1.488 | 0.013 | 1 | 2 | |
OH- | hydroxide anion | rOH | 0.964 | 0.977 | 0.013 | 1 | 2 | |
CHONH2 | formamide | rNH | 1.001 | 1.014 | 0.013 | 3 | 5 | |
GeH | germylidene | rGeH | 1.588 | 1.601 | 0.013 | 1 | 2 | |
C5H8O | Methyl cyclopropyl ketone | rCC | 1.510 | 1.524 | 0.014 | 2 | 3 | |
HOBr | Hypobromous acid | rOH | 0.961 | 0.975 | 0.014 | 1 | 2 | |
C3H3NO | Oxazole | rCH | 1.075 | ±0.001 | 1.089 | 0.014 | 2 | 6 |
CH3OC2H5 | Ethane, methoxy- | rCO | 1.415 | ±0.005 | 1.429 | 0.014 | 1 | 2 |
CH3CHFCH3 | 2-Fluoropropane | rCH | 1.092 | 1.106 | 0.014 | 1 | 3 | |
C3H3NO | Oxazole | rCH | 1.075 | ±0.001 | 1.089 | 0.014 | 4 | 7 |
C5H6 | Propellane | rCC | 1.525 | ±0.002 | 1.539 | 0.014 | 1 | 2 |
AsH3 | Arsine | rAsH | 1.511 | ±0.000 | 1.525 | 0.014 | 1 | 2 |
C10H8 | Azulene | rCH | 1.084 | 1.098 | 0.014 | 4 | 14 | |
N3 | azide radical | rNN | 1.181 | 1.196 | 0.015 | 1 | 2 | |
C3H3NO | Oxazole | rCH | 1.073 | ±0.001 | 1.088 | 0.015 | 5 | 8 |
CH3CHClCH3 | Propane, 2-chloro- | rCH | 1.092 | 1.107 | 0.015 | 3 | 6 | |
CH4 | Methane | rCH | 1.087 | ±0.001 | 1.102 | 0.015 | 1 | 2 |
C2H2 | Acetylene | rCH | 1.063 | 1.078 | 0.015 | 1 | 3 | |
BH3 | boron trihydride | rBH | 1.190 | 1.205 | 0.015 | 1 | 2 | |
C10H8 | Azulene | rCH | 1.080 | 1.095 | 0.015 | 9 | 17 | |
CH3OC2H5 | Ethane, methoxy- | rCH | 1.086 | ±0.010 | 1.102 | 0.016 | 1 | 5 |
CH3CHO | Acetaldehyde | rCH | 1.086 | 1.102 | 0.016 | 2 | 5 | |
HCl+ | hydrogen chloride cation | rHCl | 1.315 | 1.331 | 0.016 | 1 | 2 | |
CH3OC2H5 | Ethane, methoxy- | rCH | 1.089 | ±0.008 | 1.105 | 0.016 | 4 | 10 |
TiCl | Titanium Monochloride | rClTi | 2.265 | ±0.000 | 2.281 | 0.016 | 1 | 2 |
CH3Br | methyl bromide | rCH | 1.082 | ±0.001 | 1.099 | 0.016 | 1 | 3 |
CH3NH2 | methyl amine | rCH | 1.093 | ±0.000 | 1.109 | 0.017 | 1 | 3 |
C2H2+ | acetylene cation | rCH | 1.077 | ±0.005 | 1.093 | 0.017 | 1 | 3 |
C10H8 | Azulene | rC:C | 1.398 | 1.415 | 0.017 | 1 | 3 | |
CH3CCH | propyne | rCH | 1.060 | 1.077 | 0.017 | 3 | 4 | |
SiH2F2 | difluorosilane | rSiH | 1.462 | 1.478 | 0.017 | 1 | 4 | |
HCl | Hydrogen chloride | rHCl | 1.275 | ±0.000 | 1.291 | 0.017 | 1 | 2 |
SiH3+ | Silyl cation | rSiH | 1.460 | ±0.010 | 1.477 | 0.017 | 1 | 2 |
C3H4 | cyclopropene | rCH | 1.072 | 1.089 | 0.017 | 2 | 4 | |
FNO2 | Nitryl fluoride | rN=O | 1.180 | ±0.005 | 1.197 | 0.017 | 1 | 3 |
MgH | magnesium monohydride | rMgH | 1.730 | 1.747 | 0.017 | 1 | 2 | |
CH3CHFCH3 | 2-Fluoropropane | rCH | 1.088 | ±0.006 | 1.106 | 0.018 | 4 | 6 |
C2H3 | vinyl | rCH | 1.085 | 1.103 | 0.018 | 2 | 4 | |
C3H6O | 2-Propen-1-ol | rCH | 1.078 | ±0.010 | 1.096 | 0.018 | 3 | 8 |
C10H8 | Azulene | rCH | 1.081 | 1.099 | 0.018 | 1 | 11 | |
C10H8 | Azulene | rC:C | 1.405 | ±0.001 | 1.423 | 0.018 | 2 | 9 |
C3H3NO | Oxazole | rCO | 1.370 | ±0.002 | 1.388 | 0.018 | 1 | 5 |
HS | Mercapto radical | rSH | 1.341 | 1.359 | 0.018 | 1 | 2 | |
C10H8 | Azulene | rCH | 1.083 | 1.101 | 0.019 | 5 | 15 | |
C3H3NO | Oxazole | rCO | 1.357 | ±0.003 | 1.376 | 0.019 | 1 | 2 |
H2 | Hydrogen diatomic | rHH | 0.741 | 0.760 | 0.019 | 1 | 2 | |
HS- | mercapto anion | rSH | 1.343 | 1.362 | 0.019 | 1 | 2 | |
NH2CONH2 | Urea | rNH | 0.998 | 1.017 | 0.019 | 4 | 8 | |
SiH+ | silicon monohydride cation | rSiH | 1.504 | 1.524 | 0.020 | 1 | 2 | |
C3F6 | hexafluoropropene | rC=C | 1.329 | ±0.003 | 1.349 | 0.020 | 1 | 2 |
BH | Boron monohydride | rBH | 1.232 | 1.252 | 0.020 | 1 | 2 | |
CH2CHCH2CH3 | 1-Butene | rCC | 1.493 | 1.514 | 0.021 | 2 | 3 | |
PH | phosphorus monohydride | rPH | 1.422 | 1.443 | 0.021 | 1 | 2 | |
C2H2+ | acetylene cation | rC=C | 1.253 | ±0.001 | 1.274 | 0.021 | 1 | 2 |
SiH | Silylidyne | rSiH | 1.520 | 1.541 | 0.021 | 1 | 2 | |
CH2Br2 | dibromomethane | rCBr | 1.925 | ±0.002 | 1.948 | 0.023 | 1 | 4 |
BO | boron monoxide | rB=O | 1.205 | 1.228 | 0.024 | 1 | 2 | |
O2 | Oxygen diatomic | rO=O | 1.208 | 1.231 | 0.024 | 1 | 2 | |
OCSe | Carbonyl selenide | rC=Se | 1.709 | 1.733 | 0.024 | 1 | 3 | |
CH3CSNH2 | Ethanethioamide | rC=S | 1.647 | ±0.002 | 1.671 | 0.024 | 1 | 2 |
C3H6 | Cyclopropane | rCC | 1.501 | 1.525 | 0.024 | 1 | 2 | |
C4H8O2 | Ethyl acetate | rC=O | 1.203 | 1.227 | 0.024 | 2 | 4 | |
C4H8O2 | Ethyl acetate | rCO | 1.345 | 1.370 | 0.025 | 2 | 3 | |
CH3Br | methyl bromide | rCBr | 1.934 | ±0.000 | 1.959 | 0.025 | 1 | 2 |
CH2CO | Ketene | rC=O | 1.162 | 1.187 | 0.025 | 2 | 3 | |
HNCNH | diiminomethane | rC=N | 1.224 | ±0.001 | 1.250 | 0.025 | 1 | 2 |
CH3OC2H5 | Ethane, methoxy- | rCO | 1.407 | ±0.004 | 1.434 | 0.027 | 2 | 3 |
C10H8 | Azulene | rC:C | 1.484 | 1.511 | 0.027 | 7 | 8 | |
LiH | Lithium Hydride | rLiH | 1.595 | ±0.000 | 1.622 | 0.027 | 1 | 2 |
CH2Cl2 | Methylene chloride | rCCl | 1.767 | ±0.002 | 1.795 | 0.028 | 1 | 4 |
C4H6 | Bicyclo[1.1.0]butane | rCC | 1.497 | 1.526 | 0.029 | 1 | 2 | |
H2CS | Thioformaldehyde | rC=S | 1.611 | 1.641 | 0.030 | 1 | 2 | |
C3H5 | Allyl radical | rCH | 1.069 | 1.099 | 0.030 | 1 | 2 | |
OCSe | Carbonyl selenide | rC=O | 1.159 | 1.189 | 0.030 | 1 | 2 | |
CO | Carbon monoxide | rC#O | 1.128 | ±0.000 | 1.158 | 0.030 | 1 | 2 |
C2H2 | Acetylene | rC#C | 1.203 | 1.233 | 0.030 | 1 | 2 | |
C10H8 | Azulene | rC:C | 1.377 | 1.408 | 0.031 | 5 | 7 | |
C2H | Ethynyl radical | rCH | 1.047 | 1.077 | 0.031 | 1 | 3 | |
N2 | Nitrogen diatomic | rN#N | 1.098 | 1.130 | 0.032 | 1 | 2 | |
CN- | cyanide anion | rC#N | 1.177 | ±0.004 | 1.210 | 0.033 | 1 | 2 |
HCCl | Chloromethylene | rCCl | 1.696 | ±0.003 | 1.729 | 0.033 | 1 | 2 |
BF3 | Borane, trifluoro- | rBF | 1.307 | 1.341 | 0.034 | 1 | 2 | |
NSe | Nitrogen monoselenide | rN=Se | 1.652 | 1.686 | 0.034 | 1 | 2 | |
C5H6 | Propellane | rCC | 1.596 | ±0.005 | 1.631 | 0.035 | 2 | 5 |
GaF | Gallium monofluoride | rFGa | 1.774 | ±0.000 | 1.810 | 0.035 | 1 | 2 |
O2+ | diatomic oxygen cation | rOO | 1.116 | 1.152 | 0.036 | 1 | 2 | |
CF | Fluoromethylidyne | rCF | 1.276 | 1.312 | 0.036 | 1 | 2 | |
SCSe | Carbon sulfide selenide | rC=Se | 1.695 | ±0.002 | 1.731 | 0.036 | 1 | 3 |
C2H6O2S | Dimethyl sulfone | rCS | 1.777 | ±0.006 | 1.813 | 0.036 | 1 | 4 |
NO+ | nitric oxide cation | rN=O | 1.066 | 1.102 | 0.036 | 1 | 2 | |
HOBr | Hypobromous acid | rBrO | 1.834 | 1.871 | 0.037 | 2 | 3 | |
F2 | Fluorine diatomic | rFF | 1.412 | 1.449 | 0.037 | 1 | 2 | |
NaH | sodium hydride | rNaH | 1.887 | ±0.000 | 1.925 | 0.038 | 1 | 2 |
LiOH | lithium hydroxide | rLiO | 1.582 | 1.622 | 0.041 | 1 | 2 | |
BrO | Bromine monoxide | rOBr | 1.718 | 1.759 | 0.042 | 1 | 2 | |
CSe2 | Carbon diselenide | rC=Se | 1.692 | ±0.000 | 1.735 | 0.042 | 1 | 2 |
SCSe | Carbon sulfide selenide | rC=S | 1.553 | ±0.002 | 1.597 | 0.044 | 1 | 2 |
B2 | Boron diatomic | rBB | 1.590 | 1.634 | 0.044 | 1 | 2 | |
SeO | Selenium monoxide | rSeO | 1.639 | ±0.001 | 1.685 | 0.046 | 1 | 2 |
BrF | Bromine monofluoride | rFBr | 1.759 | ±0.000 | 1.805 | 0.046 | 1 | 2 |
LiNH2 | lithium amide | rLiN | 1.736 | ±0.003 | 1.782 | 0.046 | 1 | 2 |
GeF+ | Germanium monofluoride cation | rFGe | 1.665 | ±0.000 | 1.712 | 0.046 | 1 | 2 |
BF | Boron monofluoride | rBF | 1.267 | ±0.000 | 1.313 | 0.046 | 1 | 2 |
C3O2 | Carbon suboxide | rC=O | 1.146 | 1.193 | 0.047 | 2 | 4 | |
C3O2 | Carbon suboxide | rC=C | 1.251 | 1.298 | 0.047 | 1 | 2 | |
LiF | lithium fluoride | rLiF | 1.564 | ±0.000 | 1.613 | 0.049 | 1 | 2 |
HOCl | hypochlorous acid | rClO | 1.697 | ±0.001 | 1.747 | 0.050 | 1 | 3 |
As4 | Arsenic tetramer | rAsAs | 2.435 | 2.485 | 0.050 | 1 | 2 | |
LiO | lithium oxide | rLiO | 1.688 | 1.738 | 0.050 | 1 | 2 | |
Si2 | Silicon diatomic | rSiSi | 2.246 | 2.297 | 0.051 | 1 | 2 | |
AsF | Arsenic monofluoride | rFAs | 1.736 | ±0.001 | 1.790 | 0.054 | 1 | 2 |
NS | Mononitrogen monosulfide | rNS | 1.497 | ±0.000 | 1.552 | 0.055 | 1 | 2 |
C2 | Carbon diatomic | rC=C | 1.243 | 1.297 | 0.055 | 1 | 2 | |
SiH3Cl | chlorosilane | rSiCl | 2.051 | 2.107 | 0.056 | 1 | 2 | |
SiH2Cl2 | dichlorosilane | rSiCl | 2.033 | ±0.003 | 2.090 | 0.057 | 1 | 4 |
GeS | Germanium monosulfide | rS=Ge | 2.012 | ±0.000 | 2.069 | 0.057 | 1 | 2 |
CFCl | chlorofluoromethylene | rCCl | 1.714 | 1.772 | 0.058 | 1 | 3 | |
SiBr+ | Silicon monobromide cation | rSiBr | 2.095 | ±0.000 | 2.154 | 0.059 | 1 | 2 |
P2 | Phosphorus diatomic | rP#P | 1.893 | 1.953 | 0.060 | 1 | 2 | |
S2 | Sulfur diatomic | rS=S | 1.889 | 1.949 | 0.060 | 1 | 2 | |
ClF | Chlorine monofluoride | rFCl | 1.628 | ±0.000 | 1.689 | 0.061 | 1 | 2 |
GaAs | Gallium arsenide | rGa#As | 2.530 | ±0.020 | 2.593 | 0.063 | 1 | 2 |
SOF4 | Sulfur tetrafluoride oxide | rFS | 1.596 | ±0.003 | 1.660 | 0.064 | 1 | 3 |
BrCl | Bromine monochloride | rClBr | 2.136 | ±0.000 | 2.200 | 0.064 | 1 | 2 |
F2SO | Thionyl Fluoride | rO=S | 1.413 | ±0.000 | 1.478 | 0.065 | 1 | 2 |
Br2 | Bromine diatomic | rBrBr | 2.281 | 2.346 | 0.065 | 1 | 2 | |
SO | Sulfur monoxide | rS=O | 1.481 | 1.547 | 0.066 | 1 | 2 | |
SCl2 | Sulfur dichloride | rSCl | 2.013 | ±0.001 | 2.079 | 0.066 | 1 | 2 |
LiCl | lithium chloride | rLiCl | 2.021 | ±0.000 | 2.087 | 0.066 | 1 | 2 |
NaCl | Sodium Chloride | rNaCl | 2.361 | ±0.000 | 2.428 | 0.067 | 1 | 2 |
SCl | sulfur monochloride | rSCl | 1.975 | 2.043 | 0.068 | 1 | 2 | |
PS | phosphorus sulfide | rP=S | 1.900 | 1.968 | 0.068 | 1 | 2 | |
SF | Monosulfur monofluoride | rSF | 1.599 | 1.669 | 0.070 | 1 | 2 | |
NaF | sodium fluoride | rNaF | 1.926 | ±0.000 | 1.996 | 0.070 | 1 | 2 |
Cl2 | Chlorine diatomic | rClCl | 1.988 | 2.059 | 0.071 | 1 | 2 | |
Li2 | Lithium diatomic | rLiLi | 2.673 | 2.744 | 0.071 | 1 | 2 | |
AlC | Aluminum carbide | rC=Al | 1.955 | 2.027 | 0.072 | 1 | 2 | |
LiBr | Lithium Bromide | rLiBr | 2.170 | ±0.000 | 2.242 | 0.072 | 1 | 2 |
SiP | Silicon monophosphide | rSiP | 2.078 | ±0.002 | 2.150 | 0.073 | 1 | 2 |
C2H6O2S | Dimethyl sulfone | rS=O | 1.431 | ±0.004 | 1.504 | 0.073 | 1 | 2 |
SOF4 | Sulfur tetrafluoride oxide | rFS | 1.539 | ±0.003 | 1.614 | 0.075 | 1 | 5 |
SiF | silicon monofluoride | rSiF | 1.604 | 1.680 | 0.075 | 1 | 2 | |
C4H8O2 | Ethyl acetate | rCO | 1.448 | 1.524 | 0.076 | 5 | 6 | |
PF2 | Phosphorus difluoride | rPF | 1.579 | 1.655 | 0.076 | 1 | 2 | |
SeO2 | Selenium dioxide | rSeO | 1.607 | ±0.001 | 1.686 | 0.079 | 1 | 2 |
AlCl | Aluminum monochloride | rAlCl | 2.130 | ±0.000 | 2.211 | 0.081 | 1 | 2 |
SO+ | sulfur monoxide cation | rO=S | 1.424 | 1.507 | 0.083 | 1 | 2 | |
PO | Phosphorus monoxide | rP=O | 1.476 | 1.561 | 0.085 | 1 | 2 | |
F2SO | Thionyl Fluoride | rFS | 1.585 | ±0.000 | 1.681 | 0.096 | 1 | 3 |
GeO | Germanium monoxide | rOGe | 1.625 | 1.734 | 0.109 | 1 | 2 | |
FNO2 | Nitryl fluoride | rNF | 1.467 | ±0.015 | 1.578 | 0.111 | 1 | 2 |
ClOF3 | Chlorine trifluoride oxide | rFCl | 1.713 | ±0.003 | 1.827 | 0.114 | 1 | 4 |
BeO | beryllium oxide | rBe=O | 1.331 | 1.447 | 0.116 | 1 | 2 | |
ClOF3 | Chlorine trifluoride oxide | rFCl | 1.603 | ±0.004 | 1.747 | 0.144 | 1 | 3 |
Al2Cl6 | Aluminum, di-μ-chlorotetrachlorodi- | rAlCl | 2.040 | ±0.040 | 2.319 | 0.279 | 1 | 3 |
C4H10O | Methyl propyl ether | rCH | 1.099 | 1.429 | 0.330 | 1 | 2 |