Species |
Name |
Bond type |
Bond Length (Å) |
Experimental |
unc. |
Calculated |
Difference |
atom1 |
atom2 |
GaAs |
Gallium arsenide |
rGa#As |
2.530 |
±0.020 |
1.764 |
-0.766 |
1 |
2 |
SiP |
Silicon monophosphide |
rSiP |
2.078 |
±0.002 |
1.585 |
-0.492 |
1 |
2 |
LiBr |
Lithium Bromide |
rLiBr |
2.170 |
±0.000 |
1.806 |
-0.365 |
1 |
2 |
Na2 |
Sodium diatomic |
rNaNa |
3.079 |
|
2.782 |
-0.297 |
1 |
2 |
LiCl- |
lithium chloride anion |
rLiCl |
2.180 |
|
1.894 |
-0.286 |
1 |
2 |
CI4 |
tetraiodomethane |
rCI |
2.157 |
±0.010 |
1.930 |
-0.227 |
1 |
2 |
LiI |
Lithium Iodide |
rLiI |
2.392 |
±0.000 |
2.191 |
-0.201 |
1 |
2 |
PH+ |
phosphorus monohydride cation |
rPH |
1.435 |
|
1.259 |
-0.177 |
1 |
2 |
HSSSH |
trisulfane |
rSS |
2.054 |
±0.000 |
1.888 |
-0.166 |
1 |
2 |
SiS |
silicon monosulfide |
rSiS |
1.929 |
±0.000 |
1.791 |
-0.138 |
1 |
2 |
LiCl |
lithium chloride |
rLiCl |
2.021 |
±0.000 |
1.884 |
-0.137 |
1 |
2 |
ICl |
Iodine monochloride |
rClI |
2.321 |
±0.000 |
2.192 |
-0.128 |
1 |
2 |
SiCl |
Clorosilylidyne |
rSiCl |
2.061 |
±0.000 |
1.946 |
-0.116 |
1 |
2 |
NaLi |
lithium sodium |
rLiNa |
2.889 |
|
2.780 |
-0.109 |
1 |
2 |
CH3I |
methyl iodide |
rCI |
2.136 |
±0.002 |
2.028 |
-0.108 |
1 |
2 |
SiN |
Silicon nitride |
rSiN |
1.575 |
|
1.472 |
-0.103 |
1 |
2 |
CBr4 |
Carbon tetrabromide |
rCBr |
1.942 |
±0.002 |
1.841 |
-0.101 |
1 |
2 |
H2CSe |
Selenoformaldehyde |
rC=Se |
1.753 |
|
1.663 |
-0.090 |
1 |
2 |
CSe |
Carbon monoselenide |
rC=Se |
1.676 |
±0.000 |
1.591 |
-0.086 |
1 |
2 |
PH |
phosphorus monohydride |
rPH |
1.422 |
|
1.338 |
-0.084 |
1 |
2 |
ICN |
Cyanogen iodide |
rCI |
1.992 |
±0.000 |
1.908 |
-0.084 |
1 |
2 |
HSiCl |
Chlorosilylene |
rSiCl |
2.067 |
±0.003 |
1.987 |
-0.080 |
1 |
2 |
PN |
Phosphorus mononitride |
rP#N |
1.491 |
|
1.414 |
-0.077 |
1 |
2 |
SF |
Monosulfur monofluoride |
rSF |
1.599 |
|
1.527 |
-0.073 |
1 |
2 |
H2CS |
Thioformaldehyde |
rC=S |
1.611 |
|
1.539 |
-0.072 |
1 |
2 |
H2Cl+ |
dihydrogen monochloride cation |
rHCl |
1.321 |
±0.000 |
1.255 |
-0.066 |
1 |
2 |
SO+ |
sulfur monoxide cation |
rO=S |
1.424 |
|
1.359 |
-0.065 |
1 |
2 |
HO2 |
Hydroperoxy radical |
rOO |
1.331 |
|
1.266 |
-0.065 |
1 |
2 |
OCSe |
Carbonyl selenide |
rC=Se |
1.709 |
|
1.645 |
-0.064 |
1 |
3 |
NCl |
nitrogen monochloride |
rNCl |
1.611 |
±0.000 |
1.547 |
-0.063 |
1 |
2 |
F2 |
Fluorine diatomic |
rFF |
1.412 |
|
1.350 |
-0.062 |
1 |
2 |
HCl+ |
hydrogen chloride cation |
rHCl |
1.315 |
|
1.256 |
-0.059 |
1 |
2 |
GeH |
germylidene |
rGeH |
1.588 |
|
1.530 |
-0.058 |
1 |
2 |
NO- |
nitric oxide anion |
rN=O |
1.258 |
±0.010 |
1.200 |
-0.058 |
1 |
2 |
NH2F |
monofluoroamine |
rNF |
1.433 |
|
1.376 |
-0.057 |
1 |
2 |
PS |
phosphorus sulfide |
rP=S |
1.900 |
|
1.845 |
-0.055 |
1 |
2 |
LiH |
Lithium Hydride |
rLiH |
1.595 |
±0.000 |
1.541 |
-0.054 |
1 |
2 |
Se2 |
Selenium diatomic |
rSe=Se |
2.166 |
±0.001 |
2.118 |
-0.048 |
1 |
2 |
SeO |
Selenium monoxide |
rSeO |
1.639 |
±0.001 |
1.593 |
-0.047 |
1 |
2 |
ClF |
Chlorine monofluoride |
rFCl |
1.628 |
±0.000 |
1.583 |
-0.046 |
1 |
2 |
SiO |
Silicon monoxide |
rSiO |
1.510 |
±0.000 |
1.466 |
-0.044 |
1 |
2 |
As4 |
Arsenic tetramer |
rAsAs |
2.435 |
|
2.392 |
-0.043 |
1 |
2 |
MgH |
magnesium monohydride |
rMgH |
1.730 |
|
1.688 |
-0.042 |
1 |
2 |
C2H5F |
fluoroethane |
rCF |
1.398 |
±0.007 |
1.360 |
-0.038 |
1 |
3 |
PF2 |
Phosphorus difluoride |
rPF |
1.579 |
|
1.542 |
-0.037 |
1 |
2 |
LiOH |
lithium hydroxide |
rOH |
0.969 |
|
0.932 |
-0.037 |
1 |
3 |
S2 |
Sulfur diatomic |
rS=S |
1.889 |
|
1.853 |
-0.036 |
1 |
2 |
OH |
Hydroxyl radical |
rOH |
0.970 |
|
0.937 |
-0.032 |
1 |
2 |
CH3ONO |
Methyl nitrite |
rNO |
1.398 |
|
1.367 |
-0.031 |
2 |
6 |
BeH2 |
beryllium dihydride |
rBeH |
1.326 |
±0.000 |
1.295 |
-0.031 |
1 |
2 |
CH |
Methylidyne |
rCH |
1.120 |
|
1.089 |
-0.031 |
1 |
2 |
C2H2O2 |
Ethanedial |
rCH |
1.132 |
|
1.101 |
-0.031 |
1 |
3 |
NH4+ |
ammonium cation |
rHN |
1.029 |
±0.000 |
0.999 |
-0.030 |
1 |
2 |
ClO |
Monochlorine monoxide |
rClO |
1.596 |
±0.001 |
1.568 |
-0.028 |
1 |
2 |
CH2ClCH2Cl |
Ethane, 1,2-dichloro- |
rCC |
1.531 |
|
1.504 |
-0.027 |
1 |
2 |
HOCl |
hypochlorous acid |
rOH |
0.973 |
±0.002 |
0.947 |
-0.027 |
1 |
2 |
SF4 |
Sulfur tetrafluoride |
rSF |
1.646 |
±0.003 |
1.622 |
-0.024 |
1 |
2 |
PF5 |
Phosphorus pentafluoride |
rFP |
1.577 |
|
1.553 |
-0.024 |
1 |
5 |
CH3OCHO |
methyl formate |
rCO |
1.437 |
|
1.413 |
-0.024 |
1 |
2 |
CH3CSNH2 |
Ethanethioamide |
rC=S |
1.647 |
±0.002 |
1.624 |
-0.023 |
1 |
2 |
SO |
Sulfur monoxide |
rS=O |
1.481 |
|
1.458 |
-0.023 |
1 |
2 |
SSO |
Disulfur monoxide |
rS=S |
1.884 |
|
1.862 |
-0.022 |
2 |
3 |
CH2 |
Methylene |
rCH |
1.085 |
|
1.063 |
-0.022 |
1 |
2 |
C2H |
Ethynyl radical |
rC#C |
1.217 |
|
1.195 |
-0.022 |
1 |
2 |
NH2SH |
Thiohydroxylamine |
rSH |
1.344 |
±0.029 |
1.324 |
-0.020 |
2 |
3 |
IF |
Iodine monofluoride |
rFI |
1.910 |
|
1.889 |
-0.020 |
1 |
2 |
S2+ |
sulfur diatomic cation |
rS=S |
1.825 |
±0.010 |
1.805 |
-0.020 |
1 |
2 |
CH3NH2 |
methyl amine |
rNH |
1.018 |
±0.001 |
0.999 |
-0.019 |
2 |
6 |
PO |
Phosphorus monoxide |
rP=O |
1.476 |
|
1.458 |
-0.018 |
1 |
2 |
CH3ONO |
Methyl nitrite |
rCO |
1.437 |
|
1.419 |
-0.018 |
1 |
2 |
CF |
Fluoromethylidyne |
rCF |
1.276 |
|
1.259 |
-0.018 |
1 |
2 |
CH3OCl |
methyl hypochlorite |
rCH |
1.111 |
±0.018 |
1.095 |
-0.016 |
3 |
4 |
C5H6 |
Propellane |
rCC |
1.596 |
±0.005 |
1.580 |
-0.016 |
2 |
5 |
SiF2 |
Silicon difluoride |
rFSi |
1.590 |
±0.000 |
1.575 |
-0.015 |
1 |
2 |
TeH |
Telluryl radical |
rHTe |
1.656 |
±0.000 |
1.641 |
-0.015 |
1 |
2 |
AsH |
Arsenic monohydride |
rAsH |
1.535 |
±0.001 |
1.520 |
-0.015 |
1 |
2 |
HO2 |
Hydroperoxy radical |
rOH |
0.971 |
|
0.957 |
-0.014 |
1 |
3 |
CH2Br2 |
dibromomethane |
rCBr |
1.925 |
±0.002 |
1.912 |
-0.013 |
1 |
4 |
CH2ClCH2Cl |
Ethane, 1,2-dichloro- |
rCCl |
1.790 |
|
1.777 |
-0.013 |
1 |
3 |
CH3ONO |
Methyl nitrite |
rN=O |
1.182 |
|
1.170 |
-0.012 |
6 |
7 |
CH2NH |
Methanimine |
rCH |
1.103 |
|
1.091 |
-0.012 |
1 |
3 |
SiH |
Silylidyne |
rSiH |
1.520 |
|
1.508 |
-0.012 |
1 |
2 |
HSiCl |
Chlorosilylene |
rSiH |
1.525 |
±0.005 |
1.513 |
-0.012 |
1 |
3 |
BH3 |
boron trihydride |
rBH |
1.190 |
|
1.180 |
-0.010 |
1 |
2 |
C8H8 |
cubane |
rCH |
1.097 |
|
1.088 |
-0.009 |
1 |
9 |
CH2Cl2 |
Methylene chloride |
rCCl |
1.767 |
±0.002 |
1.758 |
-0.009 |
1 |
4 |
C4H8O2 |
Ethyl acetate |
rCH |
1.105 |
|
1.098 |
-0.007 |
1 |
7 |
HF+ |
hydrogen fluoride cation |
rHF |
1.014 |
|
1.007 |
-0.007 |
1 |
2 |
CH2ClCH2Cl |
Ethane, 1,2-dichloro- |
rCH |
1.112 |
|
1.105 |
-0.007 |
1 |
5 |
HCl |
Hydrogen chloride |
rHCl |
1.275 |
±0.000 |
1.267 |
-0.007 |
1 |
2 |
PF5 |
Phosphorus pentafluoride |
rPF |
1.534 |
|
1.528 |
-0.006 |
1 |
2 |
CH3ONO |
Methyl nitrite |
rCH |
1.102 |
|
1.096 |
-0.006 |
1 |
4 |
ICN |
Cyanogen iodide |
rC#N |
1.160 |
±0.000 |
1.155 |
-0.006 |
2 |
3 |
CH3OCH3 |
Dimethyl ether |
rCO |
1.411 |
±0.001 |
1.405 |
-0.006 |
1 |
2 |
C4H8O2 |
Ethyl acetate |
rCC |
1.508 |
|
1.502 |
-0.006 |
1 |
2 |
LiOH |
lithium hydroxide |
rLiO |
1.582 |
|
1.576 |
-0.005 |
1 |
2 |
C3F6 |
hexafluoropropene |
rCF |
1.329 |
±0.003 |
1.324 |
-0.005 |
1 |
4 |
CH3OCHO |
methyl formate |
rCH |
1.101 |
|
1.096 |
-0.005 |
3 |
8 |
CN- |
cyanide anion |
rC#N |
1.177 |
±0.004 |
1.172 |
-0.005 |
1 |
2 |
CH2NN |
diazomethane |
rC=N |
1.300 |
|
1.295 |
-0.005 |
1 |
2 |
O2+ |
diatomic oxygen cation |
rOO |
1.116 |
|
1.113 |
-0.004 |
1 |
2 |
COBr2 |
Carbonic dibromide |
rC=O |
1.172 |
±0.003 |
1.169 |
-0.003 |
1 |
2 |
HSe |
Selenium monohydride |
rSeH |
1.475 |
±0.010 |
1.472 |
-0.003 |
1 |
2 |
CH3NH2 |
methyl amine |
rCN |
1.471 |
±0.003 |
1.468 |
-0.003 |
1 |
2 |
GeH3F |
monofluorogermane |
rGeH |
1.515 |
±0.000 |
1.512 |
-0.002 |
1 |
3 |
C3H6 |
Cyclopropane |
rCC |
1.501 |
|
1.499 |
-0.002 |
1 |
2 |
CH3OCH3 |
Dimethyl ether |
rCH |
1.099 |
±0.001 |
1.097 |
-0.002 |
2 |
6 |
CH2NN |
diazomethane |
rN=N |
1.139 |
|
1.137 |
-0.002 |
2 |
3 |
CH2F2 |
Methane, difluoro- |
rCF |
1.351 |
±0.001 |
1.349 |
-0.001 |
1 |
4 |
SeO2 |
Selenium dioxide |
rSeO |
1.607 |
±0.001 |
1.606 |
-0.001 |
1 |
2 |
H2CSe |
Selenoformaldehyde |
rHC |
1.090 |
|
1.089 |
-0.001 |
1 |
3 |
CH4 |
Methane |
rCH |
1.087 |
±0.001 |
1.087 |
0.000 |
1 |
2 |
C2H2O2 |
Ethanedial |
rCC |
1.526 |
|
1.526 |
0.000 |
1 |
2 |
OCSe |
Carbonyl selenide |
rC=O |
1.159 |
|
1.159 |
0.000 |
1 |
2 |
AsF3 |
Arsenic trifluoride |
rAsF |
1.706 |
±0.002 |
1.707 |
0.001 |
1 |
2 |
CCl2O |
Phosgene |
rCCl |
1.737 |
|
1.737 |
0.001 |
2 |
3 |
IO |
Iodine monoxide |
rIO |
1.868 |
±0.004 |
1.869 |
0.001 |
1 |
2 |
C4H8O2 |
Ethyl acetate |
rCC |
1.515 |
|
1.517 |
0.002 |
5 |
6 |
CH2O2 |
Dioxirane |
rCO |
1.388 |
±0.004 |
1.390 |
0.002 |
1 |
4 |
CH3CCH |
propyne |
rCH |
1.096 |
|
1.098 |
0.002 |
1 |
5 |
CO+ |
carbon monoxide cation |
rC=O |
1.115 |
±0.000 |
1.117 |
0.002 |
1 |
2 |
CH3CHS |
Thioacetaldehyde |
rCH |
1.098 |
|
1.100 |
0.002 |
2 |
6 |
HNO3 |
Nitric acid |
rNO |
1.406 |
|
1.408 |
0.002 |
1 |
2 |
I2 |
Iodine diatomic |
rII |
2.665 |
|
2.669 |
0.003 |
1 |
2 |
CH3ONO |
Methyl nitrite |
rCH |
1.090 |
|
1.093 |
0.003 |
1 |
3 |
C2H3 |
vinyl |
rCH |
1.085 |
|
1.089 |
0.004 |
2 |
4 |
CH3CCH |
propyne |
rCH |
1.060 |
|
1.064 |
0.004 |
3 |
4 |
C2H5F |
fluoroethane |
rCH |
1.091 |
±0.007 |
1.096 |
0.005 |
2 |
6 |
C2H3Cl |
Ethene, chloro- |
rCH |
1.090 |
|
1.095 |
0.005 |
1 |
4 |
GeH3F |
monofluorogermane |
rGeF |
1.731 |
±0.000 |
1.736 |
0.006 |
1 |
2 |
C2H5I |
Ethyl iodide |
rHC |
1.093 |
|
1.099 |
0.006 |
2 |
6 |
SiH2Cl2 |
dichlorosilane |
rSiH |
1.480 |
±0.015 |
1.486 |
0.006 |
1 |
2 |
CO |
Carbon monoxide |
rC#O |
1.128 |
±0.000 |
1.135 |
0.007 |
1 |
2 |
CH3OCHO |
methyl formate |
rCH |
1.086 |
|
1.093 |
0.007 |
1 |
5 |
SeCl2 |
Selenium Dichloride |
rClSe |
2.157 |
±0.003 |
2.164 |
0.007 |
1 |
2 |
C2H5F |
fluoroethane |
rCH |
1.090 |
±0.007 |
1.097 |
0.007 |
2 |
7 |
C2H5F |
fluoroethane |
rCH |
1.095 |
±0.007 |
1.102 |
0.007 |
1 |
4 |
CH3CH2Cl |
Ethyl chloride |
rCH |
1.090 |
|
1.098 |
0.007 |
1 |
3 |
CH3OCH3 |
Dimethyl ether |
rCH |
1.085 |
±0.001 |
1.093 |
0.008 |
2 |
4 |
C2H3Cl |
Ethene, chloro- |
rCH |
1.079 |
|
1.087 |
0.008 |
2 |
5 |
CH3Br |
methyl bromide |
rCH |
1.082 |
±0.001 |
1.090 |
0.008 |
1 |
3 |
NO+ |
nitric oxide cation |
rN=O |
1.066 |
|
1.074 |
0.008 |
1 |
2 |
GeF |
Germanium monofluoride |
rFGe |
1.745 |
|
1.753 |
0.008 |
1 |
2 |
CH3NH2 |
methyl amine |
rCH |
1.093 |
±0.000 |
1.101 |
0.008 |
1 |
3 |
SiH3F |
monofluorosilane |
rSiF |
1.595 |
|
1.603 |
0.009 |
1 |
2 |
CH2CHF |
Ethene, fluoro- |
rCH |
1.077 |
|
1.086 |
0.009 |
2 |
5 |
CH3CHS |
Thioacetaldehyde |
rCH |
1.090 |
|
1.099 |
0.009 |
2 |
5 |
GaF |
Gallium monofluoride |
rFGa |
1.774 |
±0.000 |
1.783 |
0.009 |
1 |
2 |
CH3I |
methyl iodide |
rCH |
1.084 |
±0.003 |
1.093 |
0.009 |
1 |
3 |
CH3OCl |
methyl hypochlorite |
rCH |
1.086 |
±0.018 |
1.095 |
0.009 |
3 |
5 |
H2Se |
Hydrogen selenide |
rSeH |
1.460 |
|
1.469 |
0.009 |
1 |
2 |
AsH3 |
Arsine |
rAsH |
1.511 |
±0.000 |
1.520 |
0.010 |
1 |
2 |
CH2NN |
diazomethane |
rCH |
1.075 |
|
1.085 |
0.010 |
1 |
4 |
HOCl |
hypochlorous acid |
rClO |
1.697 |
±0.001 |
1.708 |
0.010 |
1 |
3 |
CH2O2 |
Dioxirane |
rCH |
1.090 |
±0.002 |
1.101 |
0.011 |
1 |
2 |
CH2CHF |
Ethene, fluoro- |
rCH |
1.082 |
|
1.093 |
0.011 |
1 |
4 |
C5H6 |
Propellane |
rCC |
1.525 |
±0.002 |
1.536 |
0.011 |
1 |
2 |
LiNH2 |
lithium amide |
rLiN |
1.736 |
±0.003 |
1.748 |
0.012 |
1 |
2 |
GeO |
Germanium monoxide |
rOGe |
1.625 |
|
1.637 |
0.012 |
1 |
2 |
C3H6 |
Cyclopropane |
rCH |
1.083 |
|
1.095 |
0.012 |
1 |
4 |
SiH3Cl |
chlorosilane |
rSiH |
1.475 |
|
1.488 |
0.013 |
1 |
3 |
C4H8O2 |
Ethyl acetate |
rC=O |
1.203 |
|
1.216 |
0.013 |
2 |
4 |
CH2F2 |
Methane, difluoro- |
rCH |
1.084 |
±0.003 |
1.098 |
0.014 |
1 |
2 |
SSO |
Disulfur monoxide |
rS=O |
1.456 |
|
1.471 |
0.015 |
1 |
2 |
C2H6O2S |
Dimethyl sulfone |
rCS |
1.777 |
±0.006 |
1.793 |
0.016 |
1 |
4 |
BrF |
Bromine monofluoride |
rFBr |
1.759 |
±0.000 |
1.774 |
0.016 |
1 |
2 |
CH3CHS |
Thioacetaldehyde |
rCH |
1.089 |
|
1.105 |
0.016 |
1 |
4 |
C2H5F |
fluoroethane |
rCC |
1.505 |
±0.007 |
1.521 |
0.016 |
1 |
2 |
PO- |
phosphorus monoxide anion |
rOP |
1.540 |
|
1.557 |
0.017 |
1 |
2 |
CH3Br |
methyl bromide |
rCBr |
1.934 |
±0.000 |
1.951 |
0.017 |
1 |
2 |
CH2Cl2 |
Methylene chloride |
rCH |
1.085 |
±0.002 |
1.102 |
0.017 |
1 |
2 |
CH3CH2Cl |
Ethyl chloride |
rCH |
1.086 |
|
1.104 |
0.018 |
2 |
7 |
CHF3 |
Methane, trifluoro- |
rCF |
1.328 |
±0.003 |
1.346 |
0.018 |
1 |
3 |
AlNC |
Aluminum isocyanide |
rAlN |
1.855 |
±0.005 |
1.873 |
0.018 |
1 |
2 |
C2H |
Ethynyl radical |
rCH |
1.047 |
|
1.065 |
0.019 |
1 |
3 |
C4H8O2 |
Ethyl acetate |
rCO |
1.345 |
|
1.364 |
0.019 |
2 |
3 |
CHF3 |
Methane, trifluoro- |
rCH |
1.091 |
±0.014 |
1.110 |
0.019 |
1 |
2 |
CBrClF2 |
Methane, bromochlorodifluoro- |
rCBr |
1.932 |
±0.004 |
1.952 |
0.020 |
1 |
2 |
HF |
Hydrogen fluoride |
rHF |
0.917 |
±0.000 |
0.938 |
0.021 |
1 |
2 |
CCl2O |
Phosgene |
rC=O |
1.177 |
|
1.198 |
0.022 |
1 |
2 |
CH3OCHO |
methyl formate |
rCO |
1.334 |
|
1.356 |
0.022 |
2 |
3 |
LiF |
lithium fluoride |
rLiF |
1.564 |
±0.000 |
1.586 |
0.022 |
1 |
2 |
SiH3F |
monofluorosilane |
rSiH |
1.476 |
|
1.499 |
0.023 |
1 |
3 |
BF3 |
Borane, trifluoro- |
rBF |
1.307 |
|
1.331 |
0.024 |
1 |
2 |
C3F6 |
hexafluoropropene |
rC=C |
1.329 |
±0.003 |
1.354 |
0.025 |
1 |
2 |
HNCNH |
diiminomethane |
rC=N |
1.224 |
±0.001 |
1.251 |
0.026 |
1 |
2 |
CH2I2 |
Diiodomethane |
rCH |
1.066 |
±0.015 |
1.100 |
0.034 |
1 |
4 |
BF |
Boron monofluoride |
rBF |
1.267 |
±0.000 |
1.302 |
0.035 |
1 |
2 |
C2H6O2S |
Dimethyl sulfone |
rS=O |
1.431 |
±0.004 |
1.468 |
0.037 |
1 |
2 |
BrCl |
Bromine monochloride |
rClBr |
2.136 |
±0.000 |
2.176 |
0.040 |
1 |
2 |
SiH3Cl |
chlorosilane |
rSiCl |
2.051 |
|
2.091 |
0.040 |
1 |
2 |
GaBr |
Gallium monobromide |
rGaBr |
2.352 |
±0.000 |
2.394 |
0.042 |
1 |
2 |
GeBr4 |
Germanium tetrabromide |
rGeBr |
2.272 |
±0.001 |
2.314 |
0.042 |
1 |
2 |
SiH2Cl2 |
dichlorosilane |
rSiCl |
2.033 |
±0.003 |
2.076 |
0.043 |
1 |
4 |
SiH2F2 |
difluorosilane |
rSiH |
1.462 |
|
1.506 |
0.045 |
1 |
4 |
MgH+ |
magnesium monohydride cation |
rMgH |
1.652 |
|
1.698 |
0.046 |
1 |
2 |
Cl2 |
Chlorine diatomic |
rClCl |
1.988 |
|
2.035 |
0.047 |
1 |
2 |
SF4 |
Sulfur tetrafluoride |
rSF |
1.545 |
±0.003 |
1.596 |
0.051 |
1 |
4 |
HBr |
hydrogen bromide |
rHBr |
1.414 |
±0.000 |
1.471 |
0.056 |
1 |
2 |
BrO |
Bromine monoxide |
rOBr |
1.718 |
|
1.775 |
0.057 |
1 |
2 |
TeO |
Tellurium monoxide |
rO=Te |
1.825 |
|
1.885 |
0.060 |
1 |
2 |
GeCl |
Germanium monochloride |
rClGe |
2.164 |
±0.000 |
2.225 |
0.061 |
1 |
2 |
HI |
Hydrogen iodide |
rHI |
1.609 |
±0.000 |
1.677 |
0.068 |
1 |
2 |
C4H8O2 |
Ethyl acetate |
rCO |
1.448 |
|
1.517 |
0.069 |
5 |
6 |
IBr |
Iodine monobromide |
rBrI |
2.469 |
±0.000 |
2.561 |
0.092 |
1 |
2 |
AlF |
Aluminum monofluoride |
rAlF |
1.654 |
±0.000 |
1.748 |
0.094 |
1 |
2 |
CH2O2 |
Dioxirane |
rOO |
1.516 |
±0.003 |
1.613 |
0.098 |
4 |
5 |
Cl2+ |
chlorine diatomic cation |
rClCl |
1.892 |
|
1.994 |
0.103 |
1 |
2 |
HBr+ |
hydrogen bromide cation |
rHBr |
1.448 |
|
1.553 |
0.105 |
1 |
2 |
Br2 |
Bromine diatomic |
rBrBr |
2.281 |
|
2.443 |
0.162 |
1 |
2 |
BO |
boron monoxide |
rB=O |
1.205 |
|
1.441 |
0.237 |
1 |
2 |
211 molecules.