Species |
Name |
Bond type |
Bond Length (Å) |
Experimental |
Calculated |
Difference |
C4H6 |
1-Methylcyclopropene |
rCH |
1.085 |
4.241 |
3.156 |
C4H6 |
1-Methylcyclopropene |
rCH |
1.087 |
3.448 |
2.361 |
S4 |
Sulfur tetramer |
rSS |
2.155 |
3.171 |
1.016 |
CH3CH2SH |
ethanethiol |
rCH |
1.095 |
1.926 |
0.831 |
CH3CH2SH |
ethanethiol |
rCH |
1.095 |
1.921 |
0.826 |
C4H6 |
1-Methylcyclopropene |
rCC |
1.476 |
2.284 |
0.808 |
C4H6 |
1-Methylcyclopropene |
rCH |
1.087 |
1.832 |
0.745 |
C4H6 |
1-Methylcyclopropene |
rCH |
1.098 |
1.786 |
0.688 |
CH3SO2NH2 |
methanesulfonamide |
rCN |
1.207 |
1.888 |
0.681 |
C4H6 |
1-Methylcyclopropene |
rCH |
1.098 |
1.768 |
0.670 |
S4 |
Sulfur tetramer |
rSS |
2.155 |
2.797 |
0.642 |
S4 |
Sulfur tetramer |
rSS |
2.155 |
2.797 |
0.642 |
C4H6 |
1-Methylcyclopropene |
rCH |
1.070 |
1.531 |
0.461 |
S4 |
Sulfur tetramer |
rSS |
1.898 |
2.350 |
0.452 |
CH3CH2SH |
ethanethiol |
rCH |
1.089 |
1.529 |
0.440 |
CH3CH2SH |
ethanethiol |
rCH |
1.089 |
1.529 |
0.440 |
CH3CH2SH |
ethanethiol |
rCH |
1.092 |
1.529 |
0.437 |
CH3CH2SH |
ethanethiol |
rCH |
1.092 |
1.529 |
0.437 |
C2H4F2 |
1,2-difluoroethane |
rCH |
1.093 |
1.524 |
0.431 |
C2H4F2 |
1,2-difluoroethane |
rCH |
1.093 |
1.512 |
0.419 |
C4H6 |
1-Methylcyclopropene |
rCC |
1.515 |
1.097 |
-0.418 |
S3 |
Sulfur trimer |
rSS |
1.917 |
2.319 |
0.402 |
CH3CH2SH |
ethanethiol |
rCC |
1.528 |
1.926 |
0.398 |
CH3CH2SH |
ethanethiol |
rCC |
1.528 |
1.921 |
0.393 |
CH2CHCH2F |
Allyl Fluoride |
rHC |
1.130 |
1.502 |
0.372 |
CH2CHCH2F |
Allyl Fluoride |
rHC |
1.130 |
1.497 |
0.367 |
C3H3NO |
Isoxazole |
rCH |
1.075 |
1.433 |
0.358 |
CaO |
Calcium monoxide |
rOCa |
1.822 |
2.144 |
0.322 |
CaS |
Calcium sulfide |
rSCa |
2.318 |
2.639 |
0.321 |
CH3CH2SH |
ethanethiol |
rCS |
1.820 |
1.529 |
-0.291 |
CH3CH2SH |
ethanethiol |
rCS |
1.820 |
1.529 |
-0.291 |
C2H2+ |
acetylene cation |
rCH |
1.077 |
1.356 |
0.280 |
OClO |
Chlorine dioxide |
rClO |
1.470 |
1.746 |
0.277 |
Cl2+ |
chlorine diatomic cation |
rClCl |
1.892 |
2.147 |
0.255 |
CaBr |
Calcium monobromide |
rCaBr |
2.594 |
2.844 |
0.250 |
SFCl |
Sulfur chloride fluoride |
rSCl |
1.994 |
2.238 |
0.244 |
OPCl |
Phosphorus oxychloride |
rPCl |
2.059 |
2.298 |
0.240 |
CaC |
Calcium monocarbide |
rCCa |
2.302 |
2.540 |
0.238 |
Si2H2 |
disilyne |
rSiH |
1.668 |
1.905 |
0.237 |
CH3SSH |
Hydrogen methyl disulfide |
rSS |
2.038 |
2.268 |
0.230 |
SSO |
Disulfur monoxide |
rSS |
1.884 |
2.114 |
0.230 |
C4H6 |
1-Methylcyclopropene |
rCC |
1.300 |
1.529 |
0.229 |
FSN |
Thiazyl fluoride |
rFS |
1.643 |
1.872 |
0.229 |
H2S2 |
Disulfane |
rSS |
2.056 |
2.277 |
0.220 |
C2H6O2S |
Dimethyl sulfone |
rSO |
1.431 |
1.645 |
0.214 |
SF4 |
Sulfur tetrafluoride |
rSF |
1.545 |
1.758 |
0.213 |
SO3 |
Sulfur trioxide |
rSO |
1.418 |
1.631 |
0.213 |
BrCl |
Bromine monochloride |
rClBr |
2.136 |
2.347 |
0.211 |
S3 |
Sulfur trimer |
rSS |
1.917 |
2.125 |
0.208 |
He2+ |
helium diatomic cation |
rHeHe |
1.081 |
1.288 |
0.207 |
S2N2 |
Disulfur dinitride |
rNS |
1.642 |
1.846 |
0.204 |
CFCl |
chlorofluoromethylene |
rCCl |
1.714 |
1.916 |
0.202 |
SO2 |
Sulfur dioxide |
rSO |
1.432 |
1.632 |
0.200 |
SF6 |
Sulfur Hexafluoride |
rSF |
1.561 |
1.759 |
0.198 |
Br2 |
Bromine diatomic |
rBrBr |
2.281 |
2.477 |
0.196 |
Si2H2 |
disilyne |
rSiSi |
2.215 |
2.022 |
-0.194 |
NCl |
nitrogen monochloride |
rNCl |
1.611 |
1.804 |
0.193 |
SSO |
Disulfur monoxide |
rSO |
1.456 |
1.649 |
0.193 |
CH3SOCH3 |
Dimethyl sulfoxide |
rSO |
1.485 |
1.676 |
0.191 |
HSiCl |
Chlorosilylene |
rSiCl |
2.067 |
2.257 |
0.190 |
Si2H2 |
disilyne |
rSiH |
1.668 |
1.479 |
-0.189 |
S2 |
Sulfur diatomic |
rSS |
1.889 |
2.077 |
0.188 |
NCl3 |
nitrogen trichloride |
rNCl |
1.754 |
1.940 |
0.187 |
SiCl |
Clorosilylidyne |
rSiCl |
2.061 |
2.247 |
0.186 |
SeCl2 |
Selenium Dichloride |
rClSe |
2.157 |
2.340 |
0.183 |
HOSH |
hydrogen thioperoxide |
rSO |
1.662 |
1.839 |
0.178 |
SO |
Sulfur monoxide |
rSO |
1.481 |
1.657 |
0.176 |
SO |
Sulfur monoxide |
rSO |
1.481 |
1.657 |
0.176 |
SO |
Sulfur monoxide |
rSO |
1.481 |
1.657 |
0.176 |
SO |
Sulfur monoxide |
rSO |
1.481 |
1.657 |
0.176 |
S4 |
Sulfur tetramer |
rSS |
1.898 |
2.073 |
0.175 |
S4 |
Sulfur tetramer |
rSS |
1.898 |
2.073 |
0.175 |
ClO |
Monochlorine monoxide |
rClO |
1.596 |
1.769 |
0.173 |
SF2 |
sulfur difluoride |
rSF |
1.587 |
1.760 |
0.172 |
SF4 |
Sulfur tetrafluoride |
rSF |
1.646 |
1.817 |
0.171 |
NHCl2 |
dichloroamine |
rNCl |
1.760 |
1.926 |
0.166 |
CH2ClCCCl |
1,3-dichloropropyne |
rCCl |
1.779 |
1.942 |
0.163 |
HOCl |
hypochlorous acid |
rClO |
1.697 |
1.860 |
0.163 |
SFCl |
Sulfur chloride fluoride |
rFS |
1.606 |
1.766 |
0.160 |
PF5 |
Phosphorus pentafluoride |
rPF |
1.534 |
1.692 |
0.158 |
ClF |
Chlorine monofluoride |
rFCl |
1.628 |
1.786 |
0.158 |
SiH3Cl |
chlorosilane |
rSiCl |
2.051 |
2.208 |
0.158 |
BrO |
Bromine monoxide |
rOBr |
1.718 |
1.875 |
0.157 |
SF |
Monosulfur monofluoride |
rSF |
1.599 |
1.756 |
0.157 |
SO |
Sulfur monoxide |
rOS |
1.500 |
1.657 |
0.157 |
SO |
Sulfur monoxide |
rOS |
1.500 |
1.657 |
0.157 |
SO |
Sulfur monoxide |
rOS |
1.500 |
1.657 |
0.157 |
SO |
Sulfur monoxide |
rOS |
1.500 |
1.657 |
0.157 |
PF2 |
Phosphorus difluoride |
rPF |
1.579 |
1.735 |
0.155 |
SO+ |
sulfur monoxide cation |
rOS |
1.424 |
1.579 |
0.155 |
SiBr |
Silicon monobromide |
rSiBr |
2.209 |
2.363 |
0.154 |
CaBr2 |
Calcium dibromide |
rCaBr |
2.616 |
2.768 |
0.152 |
Ar2 |
Argon diatomic |
rArAr |
3.758 |
3.909 |
0.151 |
C2H6O2S |
Dimethyl sulfone |
rCS |
1.777 |
1.924 |
0.147 |
CH3CHClCH3 |
Propane, 2-chloro- |
rCCl |
1.798 |
1.944 |
0.146 |
PS |
phosphorus sulfide |
rPS |
1.900 |
2.046 |
0.146 |
SiBr+ |
Silicon monobromide cation |
rSiBr |
2.095 |
2.240 |
0.145 |
Si2H2 |
disilyne |
rSiH |
1.668 |
1.523 |
-0.145 |
As4 |
Arsenic tetramer |
rAsAs |
2.435 |
2.579 |
0.144 |
GeCl |
Germanium monochloride |
rClGe |
2.164 |
2.307 |
0.143 |
CH3SOCH3 |
Dimethyl sulfoxide |
rCS |
1.799 |
1.942 |
0.143 |
N2O4 |
Dinitrogen tetroxide |
rNN |
1.782 |
1.924 |
0.142 |
BrO+ |
Bromine monoxide cation |
rOBr |
1.635 |
1.777 |
0.142 |
HSiBr |
monobromosilylene |
rSiBr |
2.237 |
2.375 |
0.138 |
N2 |
Nitrogen diatomic |
rNN |
1.098 |
1.235 |
0.138 |
N2 |
Nitrogen diatomic |
rNN |
1.098 |
1.235 |
0.138 |
PO |
Phosphorus monoxide |
rPO |
1.476 |
1.613 |
0.137 |
ClNO |
Nitrosyl chloride |
rNCl |
1.975 |
2.111 |
0.136 |
NH2SH |
Thiohydroxylamine |
rNS |
1.705 |
1.841 |
0.136 |
NH2SH |
Thiohydroxylamine |
rNS |
1.705 |
1.841 |
0.136 |
NH2SH |
Thiohydroxylamine |
rNS |
1.705 |
1.840 |
0.135 |
NH2SH |
Thiohydroxylamine |
rNS |
1.705 |
1.840 |
0.135 |
CBr |
Carbon monobromide |
rCBr |
1.821 |
1.955 |
0.134 |
PF5 |
Phosphorus pentafluoride |
rFP |
1.577 |
1.709 |
0.132 |
SeF4 |
Selenium tetrafluoride |
rFSe |
1.682 |
1.814 |
0.132 |
Se2 |
Selenium diatomic |
rSeSe |
2.166 |
2.298 |
0.132 |
SiF2 |
Silicon difluoride |
rFSi |
1.590 |
1.720 |
0.130 |
Si2H2 |
disilyne |
rSiSi |
2.215 |
2.343 |
0.128 |
OPCl |
Phosphorus oxychloride |
rPO |
1.462 |
1.589 |
0.127 |
BrF |
Bromine monofluoride |
rFBr |
1.759 |
1.883 |
0.124 |
AlBr |
Aluminum monobromide |
rAlBr |
2.295 |
2.419 |
0.124 |
SiH2F2 |
difluorosilane |
rSiF |
1.576 |
1.699 |
0.123 |
C2H4S |
Thiirane |
rCS |
1.815 |
1.937 |
0.122 |
SiH3F |
monofluorosilane |
rSiF |
1.595 |
1.716 |
0.122 |
NH2SH |
Thiohydroxylamine |
rNS |
1.719 |
1.841 |
0.122 |
NH2SH |
Thiohydroxylamine |
rNS |
1.719 |
1.841 |
0.122 |
NH2SH |
Thiohydroxylamine |
rNS |
1.719 |
1.840 |
0.121 |
NH2SH |
Thiohydroxylamine |
rNS |
1.719 |
1.840 |
0.121 |
GeCl2 |
Germanium dichloride |
rClGe |
2.186 |
2.307 |
0.121 |
SiS |
silicon monosulfide |
rSiS |
1.929 |
2.050 |
0.121 |
CHFClBr |
fluorochlorobromomethane |
rCCl |
1.745 |
1.864 |
0.119 |
CHFClBr |
fluorochlorobromomethane |
rCCl |
1.745 |
1.864 |
0.119 |
SiHF3 |
trifluorosilane |
rSiF |
1.563 |
1.681 |
0.119 |
FSN |
Thiazyl fluoride |
rNS |
1.448 |
1.567 |
0.119 |
CH2BrF |
Methane, bromofluoro- |
rCBr |
1.915 |
2.033 |
0.118 |
ClCOClCO |
Oxalyl chloride |
rCCl |
1.744 |
1.862 |
0.118 |
GaCl |
Gallium monochloride |
rClGa |
2.202 |
2.318 |
0.116 |
CH3CCl2CH3 |
Propane, 2,2-dichloro- |
rCCl |
1.799 |
1.914 |
0.115 |
SeO |
Selenium monoxide |
rSeO |
1.639 |
1.752 |
0.113 |
CH2CClCHCH2 |
1,3-Butadiene, 2-chloro- |
rCCl |
1.742 |
1.855 |
0.113 |
SiH3Br |
bromosilane |
rSiBr |
2.210 |
2.321 |
0.111 |
SeO2 |
Selenium dioxide |
rSeO |
1.607 |
1.718 |
0.111 |
CF2Cl2 |
difluorodichloromethane |
rCCl |
1.744 |
1.855 |
0.111 |
HNO3 |
Nitric acid |
rNO |
1.406 |
1.517 |
0.111 |
NF3 |
Nitrogen trifluoride |
rNF |
1.365 |
1.475 |
0.110 |
SiC2 |
Silicon dicarbide |
rCSi |
1.836 |
1.946 |
0.110 |
KH |
Potassium hydride |
rKH |
2.243 |
2.352 |
0.109 |
CH2BrCl |
Methane, bromochloro- |
rCCl |
1.755 |
1.864 |
0.109 |
C2H2ClF |
1-chloro-1-fluoroethylene |
rCCl |
1.704 |
1.811 |
0.107 |
BH3PH3 |
borane phosphine |
rBP |
1.937 |
2.043 |
0.106 |
CH3CH2SH |
ethanethiol |
rCS |
1.820 |
1.926 |
0.106 |
CH3Cl |
Methyl chloride |
rCCl |
1.785 |
1.889 |
0.104 |
CH3Cl |
Methyl chloride |
rCCl |
1.785 |
1.889 |
0.103 |
FNO2 |
Nitryl fluoride |
rNF |
1.467 |
1.570 |
0.103 |
CH3CH2SH |
ethanethiol |
rCS |
1.820 |
1.921 |
0.101 |
C6H4Cl2 |
1,4-dichlorobenzene |
rCCl |
1.729 |
1.830 |
0.101 |
CH2Cl |
chloromethyl radical |
rCCl |
1.691 |
1.792 |
0.101 |
CH2Cl |
chloromethyl radical |
rCCl |
1.691 |
1.792 |
0.101 |
CH2Cl |
chloromethyl radical |
rCCl |
1.691 |
1.791 |
0.100 |
CH2Cl |
chloromethyl radical |
rCCl |
1.691 |
1.791 |
0.100 |
SiO |
Silicon monoxide |
rSiO |
1.510 |
1.610 |
0.100 |
NaLi |
lithium sodium |
rLiNa |
2.889 |
2.988 |
0.099 |
F2+ |
flourine diatomic cation |
rFF |
1.322 |
1.420 |
0.098 |
Si2H2 |
disilyne |
rSiH |
1.668 |
1.766 |
0.098 |
CH2Cl2 |
Methylene chloride |
rCCl |
1.767 |
1.865 |
0.098 |
LiCl |
lithium chloride |
rLiCl |
2.021 |
2.118 |
0.097 |
CF3Cl |
Methane, chlorotrifluoro- |
rCCl |
1.752 |
1.849 |
0.097 |
C2H5Br |
Ethyl bromide |
rCBr |
1.950 |
2.046 |
0.096 |
SiBr4 |
Silicon tetrabromide |
rSiBr |
2.183 |
2.278 |
0.095 |
CHCl3 |
Chloroform |
rCCl |
1.762 |
1.856 |
0.094 |
SeF4 |
Selenium tetrafluoride |
rFSe |
1.771 |
1.865 |
0.094 |
CCl4 |
Carbon tetrachloride |
rCCl |
1.767 |
1.861 |
0.094 |
CH3SCH3 |
Dimethyl sulfide |
rCS |
1.802 |
1.896 |
0.094 |
C3H6S3 |
1,3,5-Trithiane |
rCS |
1.801 |
1.895 |
0.094 |
FNO |
Nitrosyl fluoride |
rNF |
1.512 |
1.605 |
0.093 |
GaAs |
Gallium arsenide |
rGaAs |
2.530 |
2.622 |
0.092 |
AlF |
Aluminum monofluoride |
rAlF |
1.654 |
1.746 |
0.092 |
CH2CHCH2F |
Allyl Fluoride |
rCF |
1.370 |
1.460 |
0.090 |
CH2CHCH2F |
Allyl Fluoride |
rCF |
1.370 |
1.460 |
0.090 |
CF2 |
Difluoromethylene |
rCF |
1.297 |
1.387 |
0.090 |
CH3Br |
methyl bromide |
rCBr |
1.934 |
2.024 |
0.090 |
CH3SH |
Methanethiol |
rCS |
1.818 |
1.907 |
0.089 |
CH3SH |
Methanethiol |
rCS |
1.818 |
1.907 |
0.089 |
NHF2 |
difluoramine |
rNF |
1.400 |
1.488 |
0.088 |
Na2 |
Sodium diatomic |
rNaNa |
3.079 |
3.166 |
0.088 |
C2H2N2O |
Furazan |
rNO |
1.373 |
1.459 |
0.086 |
CF |
Fluoromethylidyne |
rCF |
1.276 |
1.362 |
0.086 |
N2 |
Nitrogen diatomic |
rNN |
1.213 |
1.127 |
-0.086 |
N2 |
Nitrogen diatomic |
rNN |
1.213 |
1.127 |
-0.086 |
N2 |
Nitrogen diatomic |
rNN |
1.213 |
1.127 |
-0.086 |
N2 |
Nitrogen diatomic |
rNN |
1.213 |
1.127 |
-0.086 |
GeF+ |
Germanium monofluoride cation |
rFGe |
1.665 |
1.750 |
0.084 |
NSe |
Nitrogen monoselenide |
rNSe |
1.652 |
1.736 |
0.084 |
SiSe |
Silicon Monoselenide |
rSiSe |
2.058 |
2.142 |
0.084 |
O2- |
oxygen diatomic anion |
rOO |
1.350 |
1.432 |
0.082 |
H2O2 |
Hydrogen peroxide |
rOO |
1.475 |
1.557 |
0.082 |
H2O2 |
Hydrogen peroxide |
rOO |
1.475 |
1.556 |
0.081 |
H2O2 |
Hydrogen peroxide |
rOO |
1.475 |
1.556 |
0.081 |
CH3SSH |
Hydrogen methyl disulfide |
rCS |
1.823 |
1.904 |
0.081 |
KOH |
Potassium hydroxide |
rOK |
2.212 |
2.292 |
0.080 |
GaBr |
Gallium monobromide |
rGaBr |
2.352 |
2.431 |
0.078 |
CH2CHCH2F |
Allyl Fluoride |
rCF |
1.382 |
1.460 |
0.078 |
CH2CHCH2F |
Allyl Fluoride |
rCF |
1.382 |
1.460 |
0.078 |
PN |
Phosphorus mononitride |
rPN |
1.491 |
1.569 |
0.078 |
C2H2+ |
acetylene cation |
rCC |
1.253 |
1.331 |
0.078 |
MgH |
magnesium monohydride |
rMgH |
1.730 |
1.807 |
0.078 |
CH2CHCH2F |
Allyl Fluoride |
rCF |
1.370 |
1.448 |
0.078 |
CH2CHCH2F |
Allyl Fluoride |
rCF |
1.370 |
1.448 |
0.078 |
HOF |
Hypofluorous acid |
rFO |
1.442 |
1.519 |
0.077 |
CHFClBr |
fluorochlorobromomethane |
rCBr |
1.928 |
2.004 |
0.076 |
CHFClBr |
fluorochlorobromomethane |
rCBr |
1.928 |
2.004 |
0.076 |
CH2Br2 |
dibromomethane |
rCBr |
1.925 |
2.001 |
0.076 |
C2H4O |
Ethylene oxide |
rCO |
1.425 |
1.500 |
0.075 |
CH2BrCl |
Methane, bromochloro- |
rCBr |
1.928 |
2.003 |
0.075 |
CHSNH2 |
thioformamide |
rCS |
1.626 |
1.700 |
0.074 |
NO- |
nitric oxide anion |
rNO |
1.258 |
1.332 |
0.074 |
GeF4 |
Germanium tetrafluoride |
rFGe |
1.670 |
1.743 |
0.073 |
C4H8O2 |
Ethyl acetate |
rCO |
1.448 |
1.521 |
0.073 |
CH2ClCCCl |
1,3-dichloropropyne |
rCCl |
1.638 |
1.710 |
0.073 |
HNCS |
Isothiocyanic acid |
rCS |
1.567 |
1.639 |
0.072 |
F2 |
Fluorine diatomic |
rFF |
1.412 |
1.483 |
0.071 |
CH3CHS |
Thioacetaldehyde |
rCS |
1.610 |
1.681 |
0.071 |
HCF |
Fluoromethylene |
rCF |
1.305 |
1.376 |
0.071 |
GaAs |
Gallium arsenide |
rGaAs |
2.530 |
2.601 |
0.071 |
CH3CSNH2 |
Ethanethioamide |
rCS |
1.647 |
1.716 |
0.069 |
CF3Br |
Bromotrifluoromethane |
rCBr |
1.923 |
1.992 |
0.068 |
O3 |
Ozone |
rOO |
1.278 |
1.346 |
0.068 |
CH3SeCH3 |
dimethylselenide |
rCSe |
1.943 |
2.011 |
0.068 |
GeF |
Germanium monofluoride |
rFGe |
1.745 |
1.812 |
0.067 |
CF2O |
Carbonic difluoride |
rCF |
1.312 |
1.379 |
0.067 |
SiH |
Silylidyne |
rSiH |
1.520 |
1.586 |
0.066 |
HNCS |
Isothiocyanic acid |
rCS |
1.567 |
1.632 |
0.066 |
KOH |
Potassium hydroxide |
rOH |
0.912 |
0.978 |
0.066 |
CH2CHCH2F |
Allyl Fluoride |
rCF |
1.382 |
1.448 |
0.066 |
CH2CHCH2F |
Allyl Fluoride |
rCF |
1.382 |
1.448 |
0.066 |
CH2CS |
Thioketene |
rCS |
1.554 |
1.619 |
0.065 |
CHF3 |
Methane, trifluoro- |
rCF |
1.328 |
1.393 |
0.065 |
CH2F2 |
Methane, difluoro- |
rCF |
1.351 |
1.416 |
0.065 |
O2 |
Oxygen diatomic |
rOO |
1.208 |
1.272 |
0.064 |
CH3CHF2 |
Ethane, 1,1-difluoro- |
rCF |
1.364 |
1.427 |
0.063 |
CH3CH2SH |
ethanethiol |
rSH |
1.322 |
1.385 |
0.063 |
CH3CH2SH |
ethanethiol |
rSH |
1.322 |
1.385 |
0.063 |
CH3CH2SH |
ethanethiol |
rSH |
1.322 |
1.385 |
0.063 |
CH3CH2SH |
ethanethiol |
rSH |
1.322 |
1.385 |
0.063 |
GeH3F |
monofluorogermane |
rGeF |
1.731 |
1.794 |
0.063 |
BClF2 |
Chlorodifluoroborane |
rBCl |
1.728 |
1.790 |
0.062 |
NH2OH |
hydroxylamine |
rNO |
1.453 |
1.515 |
0.062 |
NH2OH |
hydroxylamine |
rNO |
1.453 |
1.515 |
0.062 |
C3H2O3 |
vinylene carbonate |
rCO |
1.364 |
1.426 |
0.062 |
C4H4Se |
selenophene |
rCSe |
1.855 |
1.916 |
0.061 |
PH |
phosphorus monohydride |
rPH |
1.418 |
1.479 |
0.061 |
GeO |
Germanium monoxide |
rOGe |
1.625 |
1.685 |
0.061 |
GeO |
Germanium monoxide |
rOGe |
1.625 |
1.685 |
0.061 |
Si2H2 |
disilyne |
rSiSi |
2.215 |
2.156 |
-0.060 |
H2CS |
Thioformaldehyde |
rCS |
1.611 |
1.670 |
0.059 |
CBr4 |
Carbon tetrabromide |
rCBr |
1.942 |
2.001 |
0.059 |
C2H4F2 |
1,2-difluoroethane |
rCF |
1.390 |
1.449 |
0.059 |
C2H4F2 |
1,2-difluoroethane |
rCF |
1.390 |
1.449 |
0.059 |
PH |
phosphorus monohydride |
rPH |
1.420 |
1.479 |
0.059 |
HSiBr |
monobromosilylene |
rSiH |
1.518 |
1.577 |
0.059 |
AlNC |
Aluminum isocyanide |
rAlN |
1.855 |
1.913 |
0.059 |
CH3F |
Methyl fluoride |
rCF |
1.383 |
1.441 |
0.058 |
CH3F |
Methyl fluoride |
rCF |
1.383 |
1.441 |
0.058 |
OCS |
Carbonyl sulfide |
rCS |
1.560 |
1.618 |
0.058 |
HS- |
mercapto anion |
rSH |
1.343 |
1.401 |
0.057 |
F2CCCF2 |
tetrafluoroallene |
rCF |
1.320 |
1.377 |
0.057 |
CHOOCHO |
diformyl ether |
rCO |
1.364 |
1.421 |
0.057 |
C2H4O4 |
Formic acid dimer |
rCO |
1.217 |
1.274 |
0.057 |
PH |
phosphorus monohydride |
rPH |
1.422 |
1.479 |
0.057 |
BH3NH3 |
borane ammonia |
rBN |
1.645 |
1.702 |
0.056 |
CF3Br |
Bromotrifluoromethane |
rCF |
1.327 |
1.383 |
0.056 |
CH2FCH2CH3 |
1-Fluoropropane |
rCF |
1.401 |
1.457 |
0.056 |
GeSe |
Germanium monoselenide |
rGeSe |
2.135 |
2.190 |
0.056 |
CF3Cl |
Methane, chlorotrifluoro- |
rCF |
1.325 |
1.380 |
0.055 |
CH3SH |
Methanethiol |
rSH |
1.329 |
1.384 |
0.055 |
GeBr4 |
Germanium tetrabromide |
rGeBr |
2.272 |
2.327 |
0.055 |
CH3SH |
Methanethiol |
rSH |
1.329 |
1.384 |
0.055 |
HN3 |
hydrogen azide |
rNH |
0.975 |
1.030 |
0.055 |
C3O2 |
Carbon suboxide |
rCO |
1.146 |
1.201 |
0.055 |
C2H4F2 |
1,2-difluoroethane |
rCF |
1.390 |
1.445 |
0.055 |
C2H4F2 |
1,2-difluoroethane |
rCF |
1.390 |
1.445 |
0.055 |
CSe |
Carbon monoselenide |
rCSe |
1.676 |
1.731 |
0.054 |
SCSe |
Carbon sulfide selenide |
rCS |
1.553 |
1.607 |
0.054 |
CH2CHF |
Ethene, fluoro- |
rCF |
1.347 |
1.401 |
0.054 |
CS2 |
Carbon disulfide |
rCS |
1.554 |
1.608 |
0.054 |
Si2H6 |
disilane |
rSiSi |
2.320 |
2.372 |
0.052 |
HSiCl |
Chlorosilylene |
rSiH |
1.525 |
1.577 |
0.052 |
CH2FCH2CH3 |
1-Fluoropropane |
rCF |
1.401 |
1.453 |
0.052 |
CFCl |
chlorofluoromethylene |
rCF |
1.320 |
1.371 |
0.051 |
CH3SSH |
Hydrogen methyl disulfide |
rHS |
1.339 |
1.390 |
0.051 |
OH- |
hydroxide anion |
rOH |
0.964 |
1.015 |
0.051 |
BCl3 |
Borane, trichloro- |
rBCl |
1.742 |
1.793 |
0.051 |
HOSH |
hydrogen thioperoxide |
rSH |
1.342 |
1.392 |
0.050 |
GaH |
Gallium monohydride |
rGaH |
1.663 |
1.713 |
0.050 |
C2H3NO |
Nitrosoethylene |
rNO |
1.220 |
1.270 |
0.050 |
295 molecules.