IV.D.8. |
Average Bond Length Differences by Model Chemistry
Calculated at wB97X-D/SDD
Species | Name | Bond type | Bond Length (Å) | |||||
---|---|---|---|---|---|---|---|---|
Experimental | unc. | Calculated | Difference | atom1 | atom2 | |||
C4H10O | Methyl propyl ether | rCC | 1.530 | 1.097 | -0.433 | 5 | 13 | |
GaAs | Gallium arsenide | rGa#As | 2.530 | ±0.020 | 2.418 | -0.112 | 1 | 2 |
SiP | Silicon monophosphide | rSiP | 2.078 | ±0.002 | 2.030 | -0.047 | 1 | 2 |
NH3BF3 | Amminetrifluoroboron | rBN | 1.673 | 1.643 | -0.030 | 1 | 2 | |
C2H2O2 | Ethanedial | rCH | 1.132 | 1.102 | -0.030 | 1 | 3 | |
CH3CH2CH2CH3 | Butane | rCH | 1.117 | 1.099 | -0.018 | 1 | 5 | |
C4H8O2 | Ethyl acetate | rCH | 1.105 | 1.089 | -0.016 | 1 | 7 | |
HeH+ | Helium hydride cation | rHHe | 0.790 | 0.774 | -0.015 | 1 | 2 | |
C8H8 | cubane | rCH | 1.097 | 1.087 | -0.010 | 1 | 9 | |
LiOH | lithium hydroxide | rOH | 0.969 | 0.959 | -0.010 | 1 | 3 | |
B2H6 | Diborane | rBH | 1.200 | 1.190 | -0.010 | 1 | 5 | |
CH3CH2CHO | Propanal | rCH | 1.103 | 1.094 | -0.009 | 1 | 6 | |
CH3NH2 | methyl amine | rCN | 1.471 | ±0.003 | 1.463 | -0.008 | 1 | 2 |
CH3NH2 | methyl amine | rNH | 1.018 | ±0.001 | 1.010 | -0.008 | 2 | 6 |
CH3CH2CHO | Propanal | rCH | 1.115 | 1.107 | -0.008 | 3 | 10 | |
CH3CHO | Acetaldehyde | rCH | 1.114 | 1.106 | -0.008 | 1 | 4 | |
CaO | Calcium monoxide | rOCa | 1.822 | 1.816 | -0.007 | 1 | 2 | |
SiH2Cl2 | dichlorosilane | rSiH | 1.480 | ±0.015 | 1.474 | -0.006 | 1 | 2 |
CH2NH | Methanimine | rCH | 1.103 | 1.097 | -0.006 | 1 | 3 | |
CH3CH2CHO | Propanal | rCH | 1.105 | 1.099 | -0.006 | 2 | 8 | |
CH3CH2OH | Ethanol | rCH | 1.098 | 1.094 | -0.004 | 1 | 6 | |
C2H2O2 | Ethanedial | rCC | 1.526 | 1.523 | -0.003 | 1 | 2 | |
NH4+ | ammonium cation | rHN | 1.029 | ±0.000 | 1.026 | -0.003 | 1 | 2 |
CHF3 | Methane, trifluoro- | rCH | 1.091 | ±0.014 | 1.089 | -0.002 | 1 | 2 |
CH3CCH | propyne | rCH | 1.096 | 1.094 | -0.002 | 1 | 5 | |
CH3CH2CHO | Propanal | rCH | 1.096 | 1.094 | -0.002 | 1 | 5 | |
H2CSe | Selenoformaldehyde | rHC | 1.090 | 1.089 | -0.002 | 1 | 3 | |
C4H8O2 | Ethyl acetate | rCC | 1.508 | 1.507 | -0.001 | 1 | 2 | |
CH2Cl2 | Methylene chloride | rCH | 1.085 | ±0.002 | 1.084 | -0.001 | 1 | 2 |
CH2CO | Ketene | rCH | 1.083 | 1.082 | 0.000 | 1 | 4 | |
CH3CHClCH3 | Propane, 2-chloro- | rCH | 1.091 | 1.091 | 0.000 | 2 | 5 | |
CH3NO | nitrosomethane | rCH | 1.094 | 1.094 | 0.000 | 1 | 4 | |
CH3CHS | Thioacetaldehyde | rCH | 1.098 | 1.098 | 0.000 | 2 | 6 | |
CH3CHFCH3 | 2-Fluoropropane | rCH | 1.093 | ±0.006 | 1.093 | 0.000 | 4 | 8 |
CH3CHFCH3 | 2-Fluoropropane | rCH | 1.094 | ±0.005 | 1.094 | 0.000 | 4 | 10 |
C4H8 | cyclobutane | rCH | 1.093 | 1.094 | 0.001 | 1 | 5 | |
C3H6 | Cyclopropane | rCH | 1.083 | 1.084 | 0.001 | 1 | 4 | |
C3H4 | cyclopropene | rCH | 1.088 | 1.089 | 0.001 | 1 | 6 | |
CH3CHS | Thioacetaldehyde | rCH | 1.090 | 1.091 | 0.001 | 2 | 5 | |
C3H8 | Propane | rCH | 1.096 | 1.097 | 0.001 | 1 | 4 | |
C2H2ClF | 1-chloro-1-fluoroethylene | rCH | 1.082 | ±0.001 | 1.083 | 0.001 | 2 | 5 |
NaLi | lithium sodium | rLiNa | 2.889 | 2.891 | 0.002 | 1 | 2 | |
C4H8 | cyclobutane | rCH | 1.091 | 1.093 | 0.002 | 1 | 6 | |
CH3OCH3 | Dimethyl ether | rCH | 1.099 | ±0.001 | 1.101 | 0.002 | 2 | 6 |
CH2CHF | Ethene, fluoro- | rCH | 1.082 | 1.084 | 0.002 | 1 | 4 | |
CH3NO | nitrosomethane | rCH | 1.092 | 1.094 | 0.002 | 1 | 5 | |
C3H4 | cyclopropene | rCH | 1.072 | 1.075 | 0.003 | 2 | 4 | |
CH3CHFCH3 | 2-Fluoropropane | rCH | 1.092 | 1.095 | 0.003 | 1 | 3 | |
CH3CHS | Thioacetaldehyde | rCH | 1.089 | 1.092 | 0.003 | 1 | 4 | |
H2Te | Hydrogen Telluride | rHTe | 1.651 | ±0.000 | 1.655 | 0.003 | 1 | 2 |
C2H2 | Acetylene | rCH | 1.063 | 1.067 | 0.004 | 1 | 3 | |
C2H5I | Ethyl iodide | rHC | 1.093 | 1.097 | 0.004 | 2 | 6 | |
CH3CH2CHO | Propanal | rCC | 1.509 | 1.514 | 0.005 | 2 | 3 | |
CH3CHClCH3 | Propane, 2-chloro- | rCH | 1.092 | 1.097 | 0.005 | 3 | 6 | |
CH3CHO | Acetaldehyde | rCH | 1.086 | 1.091 | 0.005 | 2 | 5 | |
CH3CCH | propyne | rCH | 1.060 | 1.065 | 0.005 | 3 | 4 | |
CH3OCH3 | Dimethyl ether | rCH | 1.085 | ±0.001 | 1.091 | 0.006 | 2 | 4 |
CH3Br | methyl bromide | rCH | 1.082 | ±0.001 | 1.088 | 0.006 | 1 | 3 |
C4H8O2 | Ethyl acetate | rCC | 1.515 | 1.521 | 0.006 | 5 | 6 | |
CH4 | Methane | rCH | 1.087 | ±0.001 | 1.093 | 0.006 | 1 | 2 |
C2H2+ | acetylene cation | rCH | 1.077 | ±0.005 | 1.083 | 0.006 | 1 | 3 |
TeH | Telluryl radical | rHTe | 1.656 | ±0.000 | 1.662 | 0.006 | 1 | 2 |
C3F6 | hexafluoropropene | rC=C | 1.329 | ±0.003 | 1.335 | 0.006 | 1 | 2 |
CH2CHF | Ethene, fluoro- | rCH | 1.077 | 1.084 | 0.007 | 2 | 5 | |
LiNH2 | lithium amide | rLiN | 1.736 | ±0.003 | 1.743 | 0.007 | 1 | 2 |
SiH3Cl | chlorosilane | rSiH | 1.475 | 1.482 | 0.007 | 1 | 3 | |
CH2F2 | Methane, difluoro- | rCH | 1.084 | ±0.003 | 1.091 | 0.007 | 1 | 2 |
HNCNH | diiminomethane | rC=N | 1.224 | ±0.001 | 1.231 | 0.007 | 1 | 2 |
SiH3F | monofluorosilane | rSiH | 1.476 | 1.483 | 0.007 | 1 | 3 | |
CH3CH2OH | Ethanol | rCH | 1.088 | 1.095 | 0.007 | 1 | 5 | |
CH3CHFCH3 | 2-Fluoropropane | rCH | 1.088 | ±0.006 | 1.095 | 0.007 | 4 | 6 |
KrH+ | Protonated Krypton | rHKr | 1.421 | ±0.000 | 1.429 | 0.008 | 1 | 2 |
CH2CHCH2CH3 | 1-Butene | rCC | 1.536 | 1.544 | 0.008 | 1 | 2 | |
C2H3 | vinyl | rCH | 1.085 | 1.093 | 0.008 | 2 | 4 | |
CH3CH2CH2CH3 | Butane | rCC | 1.531 | 1.540 | 0.009 | 1 | 2 | |
SiH4 | Silane | rSiH | 1.480 | ±0.000 | 1.489 | 0.009 | 1 | 2 |
CH3CH2CHO | Propanal | rCC | 1.523 | 1.533 | 0.010 | 1 | 2 | |
SbH3 | Stibine | rSbH | 1.700 | ±0.000 | 1.710 | 0.010 | 1 | 2 |
SiH3+ | Silyl cation | rSiH | 1.460 | ±0.010 | 1.470 | 0.010 | 1 | 2 |
SCSe | Carbon sulfide selenide | rC=Se | 1.695 | ±0.002 | 1.706 | 0.011 | 1 | 3 |
SiH2F2 | difluorosilane | rSiH | 1.462 | 1.473 | 0.011 | 1 | 4 | |
CH3NH2 | methyl amine | rCH | 1.093 | ±0.000 | 1.104 | 0.011 | 1 | 3 |
HOCl | hypochlorous acid | rOH | 0.973 | ±0.002 | 0.985 | 0.011 | 1 | 2 |
H2O | Water | rOH | 0.958 | ±0.000 | 0.970 | 0.012 | 1 | 2 |
CH3CH2OH | Ethanol | rCH | 1.086 | 1.100 | 0.014 | 2 | 8 | |
LiOH | lithium hydroxide | rLiO | 1.582 | 1.595 | 0.014 | 1 | 2 | |
C2H2+ | acetylene cation | rC=C | 1.253 | ±0.001 | 1.267 | 0.014 | 1 | 2 |
HOI | Hypoiodous acid | rOH | 0.967 | ±0.008 | 0.982 | 0.015 | 1 | 3 |
C2H2 | Acetylene | rC#C | 1.203 | 1.218 | 0.015 | 1 | 2 | |
AlNC | Aluminum isocyanide | rAlN | 1.855 | ±0.005 | 1.870 | 0.016 | 1 | 2 |
CrH | Chromium hydride | rHCr | 1.655 | ±0.001 | 1.671 | 0.016 | 1 | 2 |
HSiCl | Chlorosilylene | rSiH | 1.525 | ±0.005 | 1.541 | 0.016 | 1 | 3 |
C10H8 | naphthalene | rC:C | 1.410 | 1.426 | 0.016 | 2 | 3 | |
H2Cl+ | dihydrogen monochloride cation | rHCl | 1.321 | ±0.000 | 1.338 | 0.017 | 1 | 2 |
ICN | Cyanogen iodide | rC#N | 1.160 | ±0.000 | 1.178 | 0.017 | 2 | 3 |
OCSe | Carbonyl selenide | rC=Se | 1.709 | 1.726 | 0.017 | 1 | 3 | |
HS+ | sulfur monohydride cation | rSH | 1.374 | 1.393 | 0.018 | 1 | 2 | |
HF+ | hydrogen fluoride cation | rHF | 1.014 | 1.033 | 0.018 | 1 | 2 | |
AsH | Arsenic monohydride | rAsH | 1.535 | ±0.001 | 1.553 | 0.019 | 1 | 2 |
H2CSe | Selenoformaldehyde | rC=Se | 1.753 | 1.772 | 0.019 | 1 | 2 | |
CH2CHCH2CH3 | 1-Butene | rCC | 1.493 | 1.512 | 0.019 | 2 | 3 | |
B2H6 | Diborane | rBH | 1.320 | 1.340 | 0.020 | 1 | 3 | |
HSe | Selenium monohydride | rSeH | 1.475 | ±0.010 | 1.495 | 0.020 | 1 | 2 |
AsH3 | Arsine | rAsH | 1.511 | ±0.000 | 1.531 | 0.020 | 1 | 2 |
CH2I2 | Diiodomethane | rCH | 1.066 | ±0.015 | 1.086 | 0.020 | 1 | 4 |
CN | Cyano radical | rC#N | 1.172 | 1.193 | 0.021 | 1 | 2 | |
OCSe | Carbonyl selenide | rC=O | 1.159 | 1.180 | 0.021 | 1 | 2 | |
C3F6 | hexafluoropropene | rCF | 1.329 | ±0.003 | 1.351 | 0.022 | 1 | 4 |
ICN | Cyanogen iodide | rCI | 1.992 | ±0.000 | 2.014 | 0.022 | 1 | 2 |
C4H6 | Bicyclo[1.1.0]butane | rCC | 1.497 | 1.519 | 0.022 | 1 | 2 | |
OH | Hydroxyl radical | rOH | 0.970 | 0.994 | 0.024 | 1 | 2 | |
SiH+ | silicon monohydride cation | rSiH | 1.504 | 1.528 | 0.024 | 1 | 2 | |
HF | Hydrogen fluoride | rHF | 0.917 | ±0.000 | 0.942 | 0.025 | 1 | 2 |
CH | Methylidyne | rCH | 1.120 | 1.145 | 0.025 | 1 | 2 | |
HBr+ | hydrogen bromide cation | rHBr | 1.448 | 1.476 | 0.027 | 1 | 2 | |
C5H6 | Propellane | rCC | 1.525 | ±0.002 | 1.553 | 0.028 | 1 | 2 |
C3H6 | Cyclopropane | rCC | 1.501 | 1.529 | 0.028 | 1 | 2 | |
N3 | azide radical | rNN | 1.181 | 1.209 | 0.028 | 1 | 2 | |
H2Se | Hydrogen selenide | rSeH | 1.460 | 1.488 | 0.028 | 1 | 2 | |
C4H8O2 | Ethyl acetate | rCO | 1.345 | 1.373 | 0.028 | 2 | 3 | |
GeH3F | monofluorogermane | rGeH | 1.515 | ±0.000 | 1.543 | 0.028 | 1 | 3 |
CO+ | carbon monoxide cation | rC=O | 1.115 | ±0.000 | 1.144 | 0.028 | 1 | 2 |
CH2CO | Ketene | rC=O | 1.162 | 1.191 | 0.029 | 2 | 3 | |
N2 | Nitrogen diatomic | rN#N | 1.098 | 1.127 | 0.029 | 1 | 2 | |
HNO3 | Nitric acid | rNO | 1.406 | 1.435 | 0.029 | 1 | 2 | |
C3O2 | Carbon suboxide | rC=C | 1.251 | 1.280 | 0.029 | 1 | 2 | |
MgH | magnesium monohydride | rMgH | 1.730 | 1.759 | 0.030 | 1 | 2 | |
CH3OCH3 | Dimethyl ether | rCO | 1.411 | ±0.001 | 1.442 | 0.031 | 1 | 2 |
BH | Boron monohydride | rBH | 1.232 | 1.264 | 0.032 | 1 | 2 | |
BO | boron monoxide | rB=O | 1.205 | 1.236 | 0.032 | 1 | 2 | |
ArH+ | Argon hydride cation | rArH | 1.292 | ±0.000 | 1.324 | 0.032 | 1 | 2 |
HBr | hydrogen bromide | rHBr | 1.414 | ±0.000 | 1.446 | 0.032 | 1 | 2 |
SiH | Silylidyne | rSiH | 1.520 | 1.552 | 0.032 | 1 | 2 | |
F2 | Fluorine diatomic | rFF | 1.412 | 1.444 | 0.032 | 1 | 2 | |
CO | Carbon monoxide | rC#O | 1.128 | ±0.000 | 1.161 | 0.032 | 1 | 2 |
OH- | hydroxide anion | rOH | 0.964 | 0.996 | 0.032 | 1 | 2 | |
NH2SH | Thiohydroxylamine | rSH | 1.344 | ±0.029 | 1.376 | 0.032 | 2 | 3 |
NO+ | nitric oxide cation | rN=O | 1.066 | 1.098 | 0.033 | 1 | 2 | |
SCSe | Carbon sulfide selenide | rC=S | 1.553 | ±0.002 | 1.586 | 0.033 | 1 | 2 |
C4H8O2 | Ethyl acetate | rC=O | 1.203 | 1.237 | 0.034 | 2 | 4 | |
PH | phosphorus monohydride | rPH | 1.422 | 1.456 | 0.034 | 1 | 2 | |
NO | Nitric oxide | rN=O | 1.154 | ±0.000 | 1.189 | 0.035 | 1 | 2 |
H2CS | Thioformaldehyde | rC=S | 1.611 | 1.647 | 0.037 | 1 | 2 | |
HCl | Hydrogen chloride | rHCl | 1.275 | ±0.000 | 1.312 | 0.038 | 1 | 2 |
XeF2 | Xenon difluoride | rFXe | 1.974 | ±0.000 | 2.012 | 0.038 | 1 | 2 |
PN | Phosphorus mononitride | rP#N | 1.491 | 1.530 | 0.039 | 1 | 2 | |
HCl+ | hydrogen chloride cation | rHCl | 1.315 | 1.354 | 0.039 | 1 | 2 | |
CSe | Carbon monoselenide | rC=Se | 1.676 | ±0.000 | 1.716 | 0.039 | 1 | 2 |
GeO | Germanium monoxide | rOGe | 1.625 | 1.664 | 0.040 | 1 | 2 | |
XeF4 | Xenon tetrafluoride | rFXe | 1.935 | ±0.000 | 1.975 | 0.041 | 1 | 2 |
C3O2 | Carbon suboxide | rC=O | 1.146 | 1.187 | 0.041 | 2 | 4 | |
HS- | mercapto anion | rSH | 1.343 | 1.384 | 0.041 | 1 | 2 | |
FNO2 | Nitryl fluoride | rN=O | 1.180 | ±0.005 | 1.222 | 0.042 | 1 | 3 |
FNO2 | Nitryl fluoride | rNF | 1.467 | ±0.015 | 1.510 | 0.043 | 1 | 2 |
O2 | Oxygen diatomic | rO=O | 1.208 | 1.252 | 0.044 | 1 | 2 | |
CI4 | tetraiodomethane | rCI | 2.157 | ±0.010 | 2.202 | 0.045 | 1 | 2 |
CBr4 | Carbon tetrabromide | rCBr | 1.942 | ±0.002 | 1.987 | 0.045 | 1 | 2 |
GeH | germylidene | rGeH | 1.588 | 1.634 | 0.046 | 1 | 2 | |
CH3CSNH2 | Ethanethioamide | rC=S | 1.647 | ±0.002 | 1.694 | 0.047 | 1 | 2 |
FO | Oxygen monofluoride | rFO | 1.354 | 1.405 | 0.051 | 1 | 2 | |
LiF | lithium fluoride | rLiF | 1.564 | ±0.000 | 1.615 | 0.051 | 1 | 2 |
CH2Br2 | dibromomethane | rCBr | 1.925 | ±0.002 | 1.977 | 0.052 | 1 | 4 |
TeO | Tellurium monoxide | rO=Te | 1.825 | 1.879 | 0.054 | 1 | 2 | |
CaC | Calcium monocarbide | rC#Ca | 2.302 | 2.356 | 0.054 | 1 | 2 | |
C5H6 | Propellane | rCC | 1.596 | ±0.005 | 1.651 | 0.055 | 2 | 5 |
GaF | Gallium monofluoride | rFGa | 1.774 | ±0.000 | 1.831 | 0.057 | 1 | 2 |
CHF3 | Methane, trifluoro- | rCF | 1.328 | ±0.003 | 1.385 | 0.057 | 1 | 3 |
SiO | Silicon monoxide | rSiO | 1.510 | ±0.000 | 1.568 | 0.058 | 1 | 2 |
CH2F2 | Methane, difluoro- | rCF | 1.351 | ±0.001 | 1.409 | 0.058 | 1 | 4 |
CH3Br | methyl bromide | rCBr | 1.934 | ±0.000 | 1.993 | 0.059 | 1 | 2 |
NO- | nitric oxide anion | rN=O | 1.258 | ±0.010 | 1.319 | 0.061 | 1 | 2 |
NSe | Nitrogen monoselenide | rN=Se | 1.652 | 1.715 | 0.063 | 1 | 2 | |
TiCl | Titanium Monochloride | rClTi | 2.265 | ±0.000 | 2.331 | 0.066 | 1 | 2 |
CaBr | Calcium monobromide | rCaBr | 2.594 | ±0.000 | 2.660 | 0.067 | 1 | 2 |
HOI | Hypoiodous acid | rOI | 1.994 | ±0.000 | 2.062 | 0.068 | 1 | 2 |
CH2Cl2 | Methylene chloride | rCCl | 1.767 | ±0.002 | 1.836 | 0.069 | 1 | 4 |
C4H8O2 | Ethyl acetate | rCO | 1.448 | 1.521 | 0.073 | 5 | 6 | |
AlF | Aluminum monofluoride | rAlF | 1.654 | ±0.000 | 1.728 | 0.073 | 1 | 2 |
GeS | Germanium monosulfide | rS=Ge | 2.012 | ±0.000 | 2.086 | 0.073 | 1 | 2 |
KH | Potassium hydride | rKH | 2.243 | ±0.001 | 2.317 | 0.074 | 1 | 2 |
CF | Fluoromethylidyne | rCF | 1.276 | 1.351 | 0.075 | 1 | 2 | |
SiS | silicon monosulfide | rSiS | 1.929 | ±0.000 | 2.004 | 0.075 | 1 | 2 |
SeO | Selenium monoxide | rSeO | 1.639 | ±0.001 | 1.719 | 0.080 | 1 | 2 |
BF | Boron monofluoride | rBF | 1.267 | ±0.000 | 1.347 | 0.080 | 1 | 2 |
SeO2 | Selenium dioxide | rSeO | 1.607 | ±0.001 | 1.687 | 0.080 | 1 | 2 |
NS | Mononitrogen monosulfide | rNS | 1.497 | ±0.000 | 1.578 | 0.081 | 1 | 2 |
OPCl | Phosphorus oxychloride | rP=O | 1.462 | ±0.011 | 1.543 | 0.081 | 1 | 2 |
GeF+ | Germanium monofluoride cation | rFGe | 1.665 | ±0.000 | 1.747 | 0.081 | 1 | 2 |
GeH3F | monofluorogermane | rGeF | 1.731 | ±0.000 | 1.816 | 0.085 | 1 | 2 |
C2H6O2S | Dimethyl sulfone | rCS | 1.777 | ±0.006 | 1.863 | 0.086 | 1 | 4 |
GeBr4 | Germanium tetrabromide | rGeBr | 2.272 | ±0.001 | 2.359 | 0.087 | 1 | 2 |
PO | Phosphorus monoxide | rP=O | 1.476 | 1.563 | 0.087 | 1 | 2 | |
GeF | Germanium monofluoride | rFGe | 1.745 | 1.835 | 0.090 | 1 | 2 | |
As4 | Arsenic tetramer | rAsAs | 2.435 | 2.525 | 0.090 | 1 | 2 | |
Se2 | Selenium diatomic | rSe=Se | 2.166 | ±0.001 | 2.260 | 0.094 | 1 | 2 |
SO+ | sulfur monoxide cation | rO=S | 1.424 | 1.518 | 0.094 | 1 | 2 | |
LiCl | lithium chloride | rLiCl | 2.021 | ±0.000 | 2.116 | 0.096 | 1 | 2 |
SiI4 | silicon tetraiodide | rSiI | 2.432 | ±0.005 | 2.529 | 0.097 | 1 | 2 |
BrF | Bromine monofluoride | rFBr | 1.759 | ±0.000 | 1.861 | 0.102 | 1 | 2 |
SiBr+ | Silicon monobromide cation | rSiBr | 2.095 | ±0.000 | 2.199 | 0.104 | 1 | 2 |
PS | phosphorus sulfide | rP=S | 1.900 | 2.007 | 0.107 | 1 | 2 | |
SiF2 | Silicon difluoride | rFSi | 1.590 | ±0.000 | 1.697 | 0.107 | 1 | 2 |
SiH3F | monofluorosilane | rSiF | 1.595 | 1.702 | 0.108 | 1 | 2 | |
SiF | silicon monofluoride | rSiF | 1.604 | 1.712 | 0.108 | 1 | 2 | |
PF5 | Phosphorus pentafluoride | rFP | 1.577 | 1.685 | 0.108 | 1 | 5 | |
LiI | Lithium Iodide | rLiI | 2.392 | ±0.000 | 2.503 | 0.111 | 1 | 2 |
GaBr | Gallium monobromide | rGaBr | 2.352 | ±0.000 | 2.465 | 0.112 | 1 | 2 |
HOCl | hypochlorous acid | rClO | 1.697 | ±0.001 | 1.811 | 0.113 | 1 | 3 |
LiBr | Lithium Bromide | rLiBr | 2.170 | ±0.000 | 2.285 | 0.115 | 1 | 2 |
AlBr | Aluminum monobromide | rAlBr | 2.295 | 2.412 | 0.117 | 1 | 2 | |
SO | Sulfur monoxide | rS=O | 1.481 | 1.600 | 0.119 | 1 | 2 | |
SiH2Cl2 | dichlorosilane | rSiCl | 2.033 | ±0.003 | 2.157 | 0.124 | 1 | 4 |
PF2 | Phosphorus difluoride | rPF | 1.579 | 1.704 | 0.124 | 1 | 2 | |
SF | Monosulfur monofluoride | rSF | 1.599 | 1.724 | 0.125 | 1 | 2 | |
Br2 | Bromine diatomic | rBrBr | 2.281 | 2.408 | 0.127 | 1 | 2 | |
He2+ | helium diatomic cation | rHeHe | 1.081 | ±0.001 | 1.209 | 0.128 | 1 | 2 |
PF5 | Phosphorus pentafluoride | rPF | 1.534 | 1.663 | 0.129 | 1 | 2 | |
SiH3Cl | chlorosilane | rSiCl | 2.051 | 2.180 | 0.129 | 1 | 2 | |
ClF | Chlorine monofluoride | rFCl | 1.628 | ±0.000 | 1.758 | 0.129 | 1 | 2 |
AlI | Aluminum monoiodide | rAlI | 2.537 | ±0.000 | 2.669 | 0.132 | 1 | 2 |
BrO | Bromine monoxide | rOBr | 1.718 | 1.851 | 0.133 | 1 | 2 | |
SSO | Disulfur monoxide | rS=O | 1.456 | 1.594 | 0.138 | 1 | 2 | |
SeCl2 | Selenium Dichloride | rClSe | 2.157 | ±0.003 | 2.297 | 0.140 | 1 | 2 |
CFCl | chlorofluoromethylene | rCCl | 1.714 | 1.855 | 0.141 | 1 | 3 | |
GeCl | Germanium monochloride | rClGe | 2.164 | ±0.000 | 2.308 | 0.144 | 1 | 2 |
SF4 | Sulfur tetrafluoride | rSF | 1.646 | ±0.003 | 1.792 | 0.146 | 1 | 2 |
ClO | Monochlorine monoxide | rClO | 1.596 | ±0.001 | 1.744 | 0.148 | 1 | 2 |
IO | Iodine monoxide | rIO | 1.868 | ±0.004 | 2.016 | 0.148 | 1 | 2 |
SiCl | Clorosilylidyne | rSiCl | 2.061 | ±0.000 | 2.212 | 0.151 | 1 | 2 |
HSiCl | Chlorosilylene | rSiCl | 2.067 | ±0.003 | 2.219 | 0.152 | 1 | 2 |
S2 | Sulfur diatomic | rS=S | 1.889 | 2.045 | 0.156 | 1 | 2 | |
SOF4 | Sulfur tetrafluoride oxide | rFS | 1.596 | ±0.003 | 1.759 | 0.163 | 1 | 3 |
SF4 | Sulfur tetrafluoride | rSF | 1.545 | ±0.003 | 1.709 | 0.164 | 1 | 4 |
BrCl | Bromine monochloride | rClBr | 2.136 | ±0.000 | 2.300 | 0.164 | 1 | 2 |
NCl | nitrogen monochloride | rNCl | 1.611 | ±0.000 | 1.782 | 0.172 | 1 | 2 |
C2H6O2S | Dimethyl sulfone | rS=O | 1.431 | ±0.004 | 1.619 | 0.188 | 1 | 2 |
SSO | Disulfur monoxide | rS=S | 1.884 | 2.073 | 0.188 | 2 | 3 | |
ClOF3 | Chlorine trifluoride oxide | rFCl | 1.713 | ±0.003 | 1.905 | 0.192 | 1 | 4 |
SOF4 | Sulfur tetrafluoride oxide | rFS | 1.539 | ±0.003 | 1.737 | 0.198 | 1 | 5 |
OPCl | Phosphorus oxychloride | rPCl | 2.059 | ±0.004 | 2.265 | 0.206 | 1 | 3 |
Cl2+ | chlorine diatomic cation | rClCl | 1.892 | 2.123 | 0.232 | 1 | 2 | |
ClOF3 | Chlorine trifluoride oxide | rFCl | 1.603 | ±0.004 | 1.856 | 0.253 | 1 | 3 |
C4H10O | Methyl propyl ether | rCH | 1.099 | 1.442 | 0.343 | 1 | 2 |