Species |
Name |
Bond type |
Bond Length (Å) |
Experimental |
Calculated |
Difference |
C4H6 |
1-Methylcyclopropene |
rCH |
1.085 |
4.244 |
3.159 |
C4H6 |
1-Methylcyclopropene |
rCH |
1.087 |
3.469 |
2.382 |
S4 |
Sulfur tetramer |
rSS |
2.155 |
3.103 |
0.948 |
C4H6 |
1-Methylcyclopropene |
rCC |
1.476 |
2.292 |
0.816 |
CH3CH2SH |
ethanethiol |
rCH |
1.095 |
1.899 |
0.804 |
CH3CH2SH |
ethanethiol |
rCH |
1.095 |
1.897 |
0.802 |
C4H6 |
1-Methylcyclopropene |
rCH |
1.087 |
1.833 |
0.746 |
C4H6 |
1-Methylcyclopropene |
rCH |
1.098 |
1.782 |
0.684 |
C4H6 |
1-Methylcyclopropene |
rCH |
1.098 |
1.768 |
0.670 |
CH3SO2NH2 |
methanesulfonamide |
rCN |
1.207 |
1.790 |
0.583 |
S4 |
Sulfur tetramer |
rSS |
2.155 |
2.677 |
0.522 |
ONNO |
NO dimer |
rNN |
2.236 |
1.747 |
-0.489 |
C4H6 |
1-Methylcyclopropene |
rCH |
1.070 |
1.545 |
0.475 |
CH3CH2SH |
ethanethiol |
rCH |
1.089 |
1.536 |
0.447 |
CH3CH2SH |
ethanethiol |
rCH |
1.089 |
1.536 |
0.447 |
CH3CH2SH |
ethanethiol |
rCH |
1.092 |
1.536 |
0.444 |
CH3CH2SH |
ethanethiol |
rCH |
1.092 |
1.536 |
0.444 |
C2H4F2 |
1,2-difluoroethane |
rCH |
1.093 |
1.530 |
0.437 |
C4H10O |
Methyl propyl ether |
rCC |
1.530 |
1.098 |
-0.432 |
C2H4F2 |
1,2-difluoroethane |
rCH |
1.093 |
1.517 |
0.424 |
C4H6 |
1-Methylcyclopropene |
rCC |
1.515 |
1.094 |
-0.421 |
S4 |
Sulfur tetramer |
rSS |
1.898 |
2.290 |
0.392 |
Ar2 |
Argon diatomic |
rArAr |
3.758 |
4.149 |
0.391 |
CH2CHCH2F |
Allyl Fluoride |
rHC |
1.130 |
1.512 |
0.382 |
CH2CHCH2F |
Allyl Fluoride |
rHC |
1.130 |
1.507 |
0.377 |
CH3CH2SH |
ethanethiol |
rCC |
1.528 |
1.899 |
0.371 |
CH3CH2SH |
ethanethiol |
rCC |
1.528 |
1.897 |
0.369 |
C3H3NO |
Isoxazole |
rCH |
1.075 |
1.442 |
0.367 |
C4H10O |
Methyl propyl ether |
rCH |
1.099 |
1.447 |
0.348 |
S3 |
Sulfur trimer |
rSS |
1.917 |
2.262 |
0.345 |
Ar2+ |
Argon diatomic cation |
rArAr |
2.320 |
2.656 |
0.336 |
GaAs |
Gallium arsenide |
rGaAs |
2.530 |
2.206 |
-0.324 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
2.129 |
-0.321 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
2.129 |
-0.321 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
2.129 |
-0.321 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
2.129 |
-0.321 |
C2H2+ |
acetylene cation |
rCH |
1.077 |
1.372 |
0.295 |
CH3CH2SH |
ethanethiol |
rCS |
1.820 |
1.536 |
-0.284 |
CH3CH2SH |
ethanethiol |
rCS |
1.820 |
1.536 |
-0.284 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.597 |
1.865 |
0.269 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.597 |
1.865 |
0.269 |
C4H6 |
1-Methylcyclopropene |
rCC |
1.300 |
1.545 |
0.245 |
OClO |
Chlorine dioxide |
rClO |
1.470 |
1.714 |
0.244 |
ClOF3 |
Chlorine trifluoride oxide |
rFCl |
1.603 |
1.845 |
0.242 |
CaS |
Calcium sulfide |
rSCa |
2.318 |
2.559 |
0.241 |
ClOF3 |
Chlorine trifluoride oxide |
rOCl |
1.405 |
1.645 |
0.240 |
C2H6O2S |
Dimethyl sulfone |
rSO |
1.431 |
1.664 |
0.233 |
CaBr |
Calcium monobromide |
rCaBr |
2.594 |
2.824 |
0.230 |
SOF4 |
Sulfur tetrafluoride oxide |
rFS |
1.539 |
1.767 |
0.228 |
CH3SOCH3 |
Dimethyl sulfoxide |
rSO |
1.485 |
1.707 |
0.222 |
FSN |
Thiazyl fluoride |
rFS |
1.643 |
1.857 |
0.214 |
KH |
Potassium hydride |
rKH |
2.243 |
2.456 |
0.214 |
Si2H2 |
disilyne |
rSiSi |
2.215 |
2.006 |
-0.210 |
GaP |
Gallium monophosphide |
rPGa |
2.110 |
2.308 |
0.198 |
GaP |
Gallium monophosphide |
rPGa |
2.110 |
2.308 |
0.198 |
GaP |
Gallium monophosphide |
rPGa |
2.110 |
2.308 |
0.198 |
GaP |
Gallium monophosphide |
rPGa |
2.110 |
2.308 |
0.198 |
SO3 |
Sulfur trioxide |
rSO |
1.418 |
1.614 |
0.197 |
SF4 |
Sulfur tetrafluoride |
rSF |
1.545 |
1.741 |
0.196 |
OPCl |
Phosphorus oxychloride |
rPCl |
2.059 |
2.251 |
0.193 |
Si2H2 |
disilyne |
rSiH |
1.668 |
1.476 |
-0.192 |
Cl2+ |
chlorine diatomic cation |
rClCl |
1.892 |
2.083 |
0.191 |
SF6 |
Sulfur Hexafluoride |
rSF |
1.561 |
1.752 |
0.191 |
CH3SSH |
Hydrogen methyl disulfide |
rSS |
2.038 |
2.228 |
0.190 |
SFCl |
Sulfur chloride fluoride |
rSCl |
1.994 |
2.181 |
0.187 |
SOF4 |
Sulfur tetrafluoride oxide |
rFS |
1.596 |
1.782 |
0.186 |
ClOF3 |
Chlorine trifluoride oxide |
rFCl |
1.713 |
1.896 |
0.183 |
S4 |
Sulfur tetramer |
rSS |
2.155 |
2.338 |
0.183 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.597 |
1.780 |
0.183 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.597 |
1.780 |
0.183 |
SOF4 |
Sulfur tetrafluoride oxide |
rSO |
1.409 |
1.591 |
0.182 |
CaO |
Calcium monoxide |
rOCa |
1.822 |
2.002 |
0.180 |
SSO |
Disulfur monoxide |
rSS |
1.884 |
2.064 |
0.180 |
CaC |
Calcium monocarbide |
rCCa |
2.302 |
2.478 |
0.177 |
H2S2 |
Disulfane |
rSS |
2.056 |
2.231 |
0.174 |
HSiCl |
Chlorosilylene |
rSiCl |
2.067 |
2.239 |
0.172 |
SiCl |
Clorosilylidyne |
rSiCl |
2.061 |
2.233 |
0.171 |
SO2 |
Sulfur dioxide |
rSO |
1.432 |
1.603 |
0.170 |
SSO |
Disulfur monoxide |
rSO |
1.456 |
1.626 |
0.170 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.697 |
1.866 |
0.170 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.697 |
1.866 |
0.170 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.697 |
1.865 |
0.169 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.697 |
1.865 |
0.169 |
S3 |
Sulfur trimer |
rSS |
1.917 |
2.084 |
0.167 |
SF2 |
sulfur difluoride |
rSF |
1.587 |
1.751 |
0.163 |
S4 |
Sulfur tetramer |
rSS |
1.898 |
2.061 |
0.163 |
SF4 |
Sulfur tetrafluoride |
rSF |
1.646 |
1.807 |
0.161 |
NCl |
nitrogen monochloride |
rNCl |
1.611 |
1.771 |
0.160 |
SiBr |
Silicon monobromide |
rSiBr |
2.209 |
2.369 |
0.160 |
CaBr2 |
Calcium dibromide |
rCaBr |
2.616 |
2.774 |
0.158 |
SFCl |
Sulfur chloride fluoride |
rFS |
1.606 |
1.763 |
0.157 |
S2 |
Sulfur diatomic |
rSS |
1.889 |
2.046 |
0.157 |
ClOOCl |
Dichlorine dioxide |
rOCl |
1.704 |
1.861 |
0.156 |
PF2 |
Phosphorus difluoride |
rPF |
1.579 |
1.734 |
0.155 |
N2 |
Nitrogen diatomic |
rNN |
1.098 |
1.250 |
0.152 |
N2 |
Nitrogen diatomic |
rNN |
1.098 |
1.250 |
0.152 |
PF5 |
Phosphorus pentafluoride |
rPF |
1.534 |
1.686 |
0.152 |
AlBr |
Aluminum monobromide |
rAlBr |
2.295 |
2.446 |
0.151 |
S2N2 |
Disulfur dinitride |
rNS |
1.642 |
1.793 |
0.151 |
BrCl |
Bromine monochloride |
rClBr |
2.136 |
2.286 |
0.150 |
SF |
Monosulfur monofluoride |
rSF |
1.599 |
1.749 |
0.150 |
Si2H2 |
disilyne |
rSiH |
1.668 |
1.520 |
-0.148 |
ClO |
Monochlorine monoxide |
rClO |
1.596 |
1.742 |
0.146 |
S4 |
Sulfur tetramer |
rSS |
1.898 |
2.043 |
0.145 |
HOSH |
hydrogen thioperoxide |
rSO |
1.662 |
1.807 |
0.145 |
SiH3Cl |
chlorosilane |
rSiCl |
2.051 |
2.194 |
0.144 |
HSiBr |
monobromosilylene |
rSiBr |
2.237 |
2.380 |
0.143 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
2.308 |
-0.142 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
2.308 |
-0.142 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
2.308 |
-0.142 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
2.308 |
-0.142 |
SO |
Sulfur monoxide |
rSO |
1.481 |
1.623 |
0.142 |
SO |
Sulfur monoxide |
rSO |
1.481 |
1.623 |
0.142 |
GaAs |
Gallium arsenide |
rGaAs |
2.530 |
2.389 |
-0.141 |
SiH2Cl2 |
dichlorosilane |
rSiCl |
2.033 |
2.174 |
0.141 |
SO |
Sulfur monoxide |
rSO |
1.481 |
1.622 |
0.141 |
SO |
Sulfur monoxide |
rSO |
1.481 |
1.622 |
0.141 |
XeF4 |
Xenon tetrafluoride |
rFXe |
1.935 |
2.075 |
0.140 |
IO |
Iodine monoxide |
rIO |
1.868 |
2.007 |
0.140 |
SiF |
silicon monofluoride |
rSiF |
1.604 |
1.743 |
0.138 |
SeF4 |
Selenium tetrafluoride |
rFSe |
1.682 |
1.818 |
0.136 |
BrO |
Bromine monoxide |
rOBr |
1.718 |
1.854 |
0.136 |
SiBr+ |
Silicon monobromide cation |
rSiBr |
2.095 |
2.230 |
0.134 |
SeCl2 |
Selenium Dichloride |
rClSe |
2.157 |
2.291 |
0.134 |
ClF |
Chlorine monofluoride |
rFCl |
1.628 |
1.762 |
0.134 |
SiF+ |
silicon monofluoride cation |
rFSi |
1.527 |
1.660 |
0.133 |
SiF2 |
Silicon difluoride |
rFSi |
1.590 |
1.723 |
0.133 |
SiF3 |
Silicon trifluoride radical |
rFSi |
1.565 |
1.695 |
0.130 |
CFCl |
chlorofluoromethylene |
rCCl |
1.714 |
1.844 |
0.130 |
AlI |
Aluminum monoiodide |
rAlI |
2.537 |
2.666 |
0.128 |
GeCl |
Germanium monochloride |
rClGe |
2.164 |
2.291 |
0.127 |
SiH3F |
monofluorosilane |
rSiF |
1.595 |
1.722 |
0.127 |
PS |
phosphorus sulfide |
rPS |
1.900 |
2.027 |
0.127 |
SiBr4 |
Silicon tetrabromide |
rSiBr |
2.183 |
2.309 |
0.126 |
XeF2 |
Xenon difluoride |
rFXe |
1.974 |
2.100 |
0.126 |
SiH3Br |
bromosilane |
rSiBr |
2.210 |
2.335 |
0.125 |
Br2 |
Bromine diatomic |
rBrBr |
2.281 |
2.406 |
0.125 |
PF5 |
Phosphorus pentafluoride |
rFP |
1.577 |
1.702 |
0.125 |
AsCl3 |
Arsenous trichloride |
rClAs |
2.166 |
2.288 |
0.123 |
SO |
Sulfur monoxide |
rOS |
1.500 |
1.623 |
0.123 |
SO |
Sulfur monoxide |
rOS |
1.500 |
1.623 |
0.123 |
BH3PH3 |
borane phosphine |
rBP |
1.937 |
2.059 |
0.122 |
SO |
Sulfur monoxide |
rOS |
1.500 |
1.622 |
0.122 |
SO |
Sulfur monoxide |
rOS |
1.500 |
1.622 |
0.122 |
SiH2F2 |
difluorosilane |
rSiF |
1.576 |
1.697 |
0.122 |
GaP |
Gallium monophosphide |
rPGa |
2.250 |
2.129 |
-0.121 |
GaP |
Gallium monophosphide |
rPGa |
2.250 |
2.129 |
-0.121 |
GaP |
Gallium monophosphide |
rPGa |
2.250 |
2.129 |
-0.121 |
GaP |
Gallium monophosphide |
rPGa |
2.250 |
2.129 |
-0.121 |
HOCl |
hypochlorous acid |
rClO |
1.697 |
1.814 |
0.117 |
NCl3 |
nitrogen trichloride |
rNCl |
1.754 |
1.870 |
0.117 |
SO+ |
sulfur monoxide cation |
rOS |
1.424 |
1.538 |
0.114 |
GaP |
Gallium monophosphide |
rPGa |
2.240 |
2.129 |
-0.111 |
GaP |
Gallium monophosphide |
rPGa |
2.240 |
2.129 |
-0.111 |
GaP |
Gallium monophosphide |
rPGa |
2.240 |
2.129 |
-0.111 |
GaP |
Gallium monophosphide |
rPGa |
2.240 |
2.129 |
-0.111 |
BrO+ |
Bromine monoxide cation |
rOBr |
1.635 |
1.746 |
0.111 |
SiHF3 |
trifluorosilane |
rSiF |
1.563 |
1.674 |
0.111 |
CH3CHClCH3 |
Propane, 2-chloro- |
rCCl |
1.798 |
1.908 |
0.110 |
NaI |
Sodium Iodide |
rNaI |
2.711 |
2.819 |
0.108 |
BrF |
Bromine monofluoride |
rFBr |
1.759 |
1.866 |
0.107 |
PO |
Phosphorus monoxide |
rPO |
1.476 |
1.582 |
0.107 |
CH2ClCCCl |
1,3-dichloropropyne |
rCCl |
1.779 |
1.885 |
0.106 |
CBr |
Carbon monobromide |
rCBr |
1.821 |
1.927 |
0.106 |
C2H6O2S |
Dimethyl sulfone |
rCS |
1.777 |
1.880 |
0.103 |
Si2H2 |
disilyne |
rSiSi |
2.215 |
2.318 |
0.102 |
NS |
Mononitrogen monosulfide |
rNS |
1.497 |
1.598 |
0.101 |
OPCl |
Phosphorus oxychloride |
rPO |
1.462 |
1.563 |
0.101 |
SiS |
silicon monosulfide |
rSiS |
1.929 |
2.030 |
0.101 |
SbCl3 |
Antimony Trichloride |
rSbCl |
2.333 |
2.433 |
0.100 |
GeCl2 |
Germanium dichloride |
rClGe |
2.186 |
2.286 |
0.100 |
SiI4 |
silicon tetraiodide |
rSiI |
2.432 |
2.530 |
0.098 |
SeF4 |
Selenium tetrafluoride |
rFSe |
1.771 |
1.869 |
0.098 |
AlF |
Aluminum monofluoride |
rAlF |
1.654 |
1.752 |
0.098 |
SiC2 |
Silicon dicarbide |
rCSi |
1.836 |
1.934 |
0.098 |
He2+ |
helium diatomic cation |
rHeHe |
1.081 |
1.178 |
0.097 |
Se2 |
Selenium diatomic |
rSeSe |
2.166 |
2.262 |
0.096 |
C2H4S |
Thiirane |
rCS |
1.815 |
1.911 |
0.096 |
FSN |
Thiazyl fluoride |
rNS |
1.448 |
1.543 |
0.095 |
As4 |
Arsenic tetramer |
rAsAs |
2.435 |
2.530 |
0.095 |
NHCl2 |
dichloroamine |
rNCl |
1.760 |
1.852 |
0.092 |
CH2Cl |
chloromethyl radical |
rCCl |
1.691 |
1.783 |
0.092 |
CH2Cl |
chloromethyl radical |
rCCl |
1.691 |
1.783 |
0.092 |
CH2Cl |
chloromethyl radical |
rCCl |
1.691 |
1.782 |
0.091 |
CH2Cl |
chloromethyl radical |
rCCl |
1.691 |
1.782 |
0.091 |
SeO2 |
Selenium dioxide |
rSeO |
1.607 |
1.698 |
0.091 |
C2H2+ |
acetylene cation |
rCC |
1.253 |
1.342 |
0.089 |
CHFClBr |
fluorochlorobromomethane |
rCCl |
1.745 |
1.834 |
0.089 |
CH2CHCH2F |
Allyl Fluoride |
rCF |
1.370 |
1.458 |
0.088 |
CH2CHCH2F |
Allyl Fluoride |
rCF |
1.370 |
1.458 |
0.088 |
CH2BrCl |
Methane, bromochloro- |
rCCl |
1.755 |
1.843 |
0.088 |
CHFClBr |
fluorochlorobromomethane |
rCCl |
1.745 |
1.833 |
0.088 |
SiSe |
Silicon Monoselenide |
rSiSe |
2.058 |
2.146 |
0.088 |
SeO |
Selenium monoxide |
rSeO |
1.639 |
1.726 |
0.086 |
CH2CClCHCH2 |
1,3-Butadiene, 2-chloro- |
rCCl |
1.742 |
1.828 |
0.086 |
CH3SOCH3 |
Dimethyl sulfoxide |
rCS |
1.799 |
1.885 |
0.086 |
CH3CCl2CH3 |
Propane, 2,2-dichloro- |
rCCl |
1.799 |
1.884 |
0.085 |
C2H2ClF |
1-chloro-1-fluoroethylene |
rCCl |
1.704 |
1.789 |
0.085 |
TiCl |
Titanium Monochloride |
rClTi |
2.265 |
2.349 |
0.084 |
C6H4Cl2 |
1,4-dichlorobenzene |
rCCl |
1.729 |
1.812 |
0.083 |
GeBr4 |
Germanium tetrabromide |
rGeBr |
2.272 |
2.355 |
0.083 |
N2 |
Nitrogen diatomic |
rNN |
1.213 |
1.130 |
-0.082 |
N2 |
Nitrogen diatomic |
rNN |
1.213 |
1.130 |
-0.082 |
N2 |
Nitrogen diatomic |
rNN |
1.213 |
1.130 |
-0.082 |
N2 |
Nitrogen diatomic |
rNN |
1.213 |
1.130 |
-0.082 |
HNCS |
Isothiocyanic acid |
rCS |
1.567 |
1.647 |
0.080 |
CH3CH2SH |
ethanethiol |
rCS |
1.820 |
1.899 |
0.079 |
CF2Cl2 |
difluorodichloromethane |
rCCl |
1.744 |
1.823 |
0.079 |
CH3Cl |
Methyl chloride |
rCCl |
1.785 |
1.864 |
0.079 |
Si2H2 |
disilyne |
rSiH |
1.668 |
1.746 |
0.078 |
C4H8O2 |
Ethyl acetate |
rCO |
1.448 |
1.526 |
0.078 |
CH3Cl |
Methyl chloride |
rCCl |
1.785 |
1.863 |
0.078 |
C3H6S3 |
1,3,5-Trithiane |
rCS |
1.801 |
1.878 |
0.077 |
CH2CHCH2F |
Allyl Fluoride |
rCF |
1.370 |
1.447 |
0.077 |
CH2CHCH2F |
Allyl Fluoride |
rCF |
1.370 |
1.447 |
0.077 |
CH3CH2SH |
ethanethiol |
rCS |
1.820 |
1.897 |
0.077 |
CH2CHCH2F |
Allyl Fluoride |
rCF |
1.382 |
1.458 |
0.076 |
CH2CHCH2F |
Allyl Fluoride |
rCF |
1.382 |
1.458 |
0.076 |
NH2SH |
Thiohydroxylamine |
rNS |
1.705 |
1.781 |
0.076 |
NH2SH |
Thiohydroxylamine |
rNS |
1.705 |
1.781 |
0.076 |
NH2SH |
Thiohydroxylamine |
rNS |
1.705 |
1.781 |
0.076 |
NH2SH |
Thiohydroxylamine |
rNS |
1.705 |
1.781 |
0.076 |
CHSNH2 |
thioformamide |
rCS |
1.626 |
1.702 |
0.076 |
CF |
Fluoromethylidyne |
rCF |
1.276 |
1.352 |
0.076 |
CH2Cl2 |
Methylene chloride |
rCCl |
1.767 |
1.843 |
0.076 |
ClCOClCO |
Oxalyl chloride |
rCCl |
1.744 |
1.819 |
0.075 |
TeO |
Tellurium monoxide |
rOTe |
1.825 |
1.900 |
0.075 |
CHCl3 |
Chloroform |
rCCl |
1.762 |
1.837 |
0.075 |
CCl4 |
Carbon tetrachloride |
rCCl |
1.767 |
1.842 |
0.075 |
CF2CCl2 |
difluorodichloroethylene |
rCCl |
1.706 |
1.780 |
0.074 |
CH2ClI |
chloroiodomethane |
rCCl |
1.774 |
1.848 |
0.074 |
CH3SCH3 |
Dimethyl sulfide |
rCS |
1.802 |
1.876 |
0.074 |
CF2 |
Difluoromethylene |
rCF |
1.297 |
1.370 |
0.073 |
CH3CSNH2 |
Ethanethioamide |
rCS |
1.647 |
1.719 |
0.072 |
CH2ClCCCl |
1,3-dichloropropyne |
rCCl |
1.638 |
1.710 |
0.072 |
GeF |
Germanium monofluoride |
rFGe |
1.745 |
1.817 |
0.072 |
SiO |
Silicon monoxide |
rSiO |
1.510 |
1.581 |
0.071 |
GeF+ |
Germanium monofluoride cation |
rFGe |
1.665 |
1.736 |
0.071 |
NF3 |
Nitrogen trifluoride |
rNF |
1.365 |
1.435 |
0.071 |
CH3CHS |
Thioacetaldehyde |
rCS |
1.610 |
1.680 |
0.070 |
HOI |
Hypoiodous acid |
rOI |
1.994 |
2.064 |
0.070 |
Si2H2 |
disilyne |
rSiSi |
2.215 |
2.146 |
-0.069 |
C2H5Br |
Ethyl bromide |
rCBr |
1.950 |
2.019 |
0.069 |
CH2BrF |
Methane, bromofluoro- |
rCBr |
1.915 |
1.983 |
0.068 |
HCNO |
fulminic acid |
rNO |
1.199 |
1.267 |
0.068 |
GaP |
Gallium monophosphide |
rPGa |
2.240 |
2.308 |
0.068 |
GaP |
Gallium monophosphide |
rPGa |
2.240 |
2.308 |
0.068 |
GaP |
Gallium monophosphide |
rPGa |
2.240 |
2.308 |
0.068 |
GaP |
Gallium monophosphide |
rPGa |
2.240 |
2.308 |
0.068 |
CH3SH |
Methanethiol |
rCS |
1.818 |
1.885 |
0.067 |
CH2ClCHCHCH3 |
2-Butene, 1-chloro- |
rCCl |
1.807 |
1.874 |
0.067 |
CH3SH |
Methanethiol |
rCS |
1.818 |
1.885 |
0.067 |
GeS |
Germanium monosulfide |
rSGe |
2.012 |
2.078 |
0.066 |
HCF |
Fluoromethylene |
rCF |
1.305 |
1.371 |
0.066 |
N2O |
Nitrous oxide |
rNO |
1.184 |
1.250 |
0.065 |
N2O |
Nitrous oxide |
rNO |
1.184 |
1.250 |
0.065 |
CH3CH2SH |
ethanethiol |
rSH |
1.322 |
1.387 |
0.065 |
CH3CH2SH |
ethanethiol |
rSH |
1.322 |
1.387 |
0.065 |
NSe |
Nitrogen monoselenide |
rNSe |
1.652 |
1.717 |
0.065 |
NO- |
nitric oxide anion |
rNO |
1.258 |
1.323 |
0.065 |
CH2CS |
Thioketene |
rCS |
1.554 |
1.619 |
0.065 |
CH2CHCH2F |
Allyl Fluoride |
rCF |
1.382 |
1.447 |
0.065 |
CH2CHCH2F |
Allyl Fluoride |
rCF |
1.382 |
1.447 |
0.065 |
C5H6 |
Propellane |
rCC |
1.596 |
1.661 |
0.065 |
CH3CH2SH |
ethanethiol |
rSH |
1.322 |
1.387 |
0.065 |
CH3CH2SH |
ethanethiol |
rSH |
1.322 |
1.387 |
0.065 |
LiBr |
Lithium Bromide |
rLiBr |
2.170 |
2.234 |
0.063 |
CH3Br |
methyl bromide |
rCBr |
1.934 |
1.997 |
0.063 |
GaCl |
Gallium monochloride |
rClGa |
2.202 |
2.264 |
0.063 |
LiI |
Lithium Iodide |
rLiI |
2.392 |
2.454 |
0.062 |
NH2SH |
Thiohydroxylamine |
rNS |
1.719 |
1.781 |
0.062 |
NH2SH |
Thiohydroxylamine |
rNS |
1.719 |
1.781 |
0.062 |
NH2SH |
Thiohydroxylamine |
rNS |
1.719 |
1.781 |
0.062 |
NH2SH |
Thiohydroxylamine |
rNS |
1.719 |
1.781 |
0.062 |
CH2F2 |
Methane, difluoro- |
rCF |
1.351 |
1.413 |
0.062 |
OCS |
Carbonyl sulfide |
rCS |
1.560 |
1.622 |
0.062 |
C2H4O |
Ethylene oxide |
rCO |
1.425 |
1.487 |
0.062 |
CH3CHF2 |
Ethane, 1,1-difluoro- |
rCF |
1.364 |
1.425 |
0.061 |
CH3SSH |
Hydrogen methyl disulfide |
rCS |
1.823 |
1.884 |
0.061 |
CHF3 |
Methane, trifluoro- |
rCF |
1.328 |
1.389 |
0.061 |
CF3Cl |
Methane, chlorotrifluoro- |
rCCl |
1.752 |
1.813 |
0.061 |
CH3F |
Methyl fluoride |
rCF |
1.383 |
1.443 |
0.060 |
CH3F |
Methyl fluoride |
rCF |
1.383 |
1.443 |
0.060 |
CH2FI |
fluoroiodomethane |
rCF |
1.362 |
1.421 |
0.060 |
BF |
Boron monofluoride |
rBF |
1.267 |
1.326 |
0.059 |
H2CS |
Thioformaldehyde |
rCS |
1.611 |
1.670 |
0.059 |
C2H4F2 |
1,2-difluoroethane |
rCF |
1.390 |
1.449 |
0.059 |
C2H4F2 |
1,2-difluoroethane |
rCF |
1.390 |
1.449 |
0.059 |
CF2O |
Carbonic difluoride |
rCF |
1.312 |
1.371 |
0.059 |
CF3Br |
Bromotrifluoromethane |
rCF |
1.327 |
1.385 |
0.059 |
Si2H6 |
disilane |
rSiSi |
2.320 |
2.379 |
0.059 |
HNO3 |
Nitric acid |
rNO |
1.211 |
1.270 |
0.059 |
SiH+ |
silicon monohydride cation |
rSiH |
1.504 |
1.563 |
0.059 |
PH |
phosphorus monohydride |
rPH |
1.418 |
1.476 |
0.058 |
CF3Cl |
Methane, chlorotrifluoro- |
rCF |
1.325 |
1.383 |
0.058 |
GeSe |
Germanium monoselenide |
rGeSe |
2.135 |
2.192 |
0.058 |
CH3SH |
Methanethiol |
rSH |
1.329 |
1.387 |
0.058 |
KOH |
Potassium hydroxide |
rOH |
0.912 |
0.970 |
0.058 |
GaP |
Gallium monophosphide |
rPGa |
2.250 |
2.308 |
0.058 |
GaP |
Gallium monophosphide |
rPGa |
2.250 |
2.308 |
0.058 |
GaP |
Gallium monophosphide |
rPGa |
2.250 |
2.308 |
0.058 |
GaP |
Gallium monophosphide |
rPGa |
2.250 |
2.308 |
0.058 |
HS- |
mercapto anion |
rSH |
1.343 |
1.401 |
0.058 |
CH3SH |
Methanethiol |
rSH |
1.329 |
1.386 |
0.057 |
SiH |
Silylidyne |
rSiH |
1.520 |
1.577 |
0.057 |
CH2FCH2CH3 |
1-Fluoropropane |
rCF |
1.401 |
1.458 |
0.057 |
PH |
phosphorus monohydride |
rPH |
1.420 |
1.476 |
0.056 |
SCSe |
Carbon sulfide selenide |
rCS |
1.553 |
1.609 |
0.056 |
CH2Br2 |
dibromomethane |
rCBr |
1.925 |
1.981 |
0.056 |
FNO2 |
Nitryl fluoride |
rNO |
1.180 |
1.236 |
0.056 |
BClF2 |
Chlorodifluoroborane |
rBCl |
1.728 |
1.784 |
0.056 |
GeH3F |
monofluorogermane |
rGeF |
1.731 |
1.786 |
0.055 |
C2H4F2 |
1,2-difluoroethane |
rCF |
1.390 |
1.445 |
0.055 |
C2H4F2 |
1,2-difluoroethane |
rCF |
1.390 |
1.445 |
0.055 |
CH2CHF |
Ethene, fluoro- |
rCF |
1.347 |
1.402 |
0.055 |
HCl+ |
hydrogen chloride cation |
rHCl |
1.315 |
1.369 |
0.054 |
CBr4 |
Carbon tetrabromide |
rCBr |
1.942 |
1.996 |
0.054 |
HN3 |
hydrogen azide |
rNH |
0.975 |
1.029 |
0.054 |
PH |
phosphorus monohydride |
rPH |
1.422 |
1.476 |
0.054 |
CH2FCH2CH3 |
1-Fluoropropane |
rCF |
1.401 |
1.455 |
0.054 |
CH2BrCl |
Methane, bromochloro- |
rCBr |
1.928 |
1.982 |
0.054 |
ONNO |
NO dimer |
rNO |
1.161 |
1.214 |
0.053 |
BCl3 |
Borane, trichloro- |
rBCl |
1.742 |
1.794 |
0.052 |
GaBr |
Gallium monobromide |
rGaBr |
2.352 |
2.405 |
0.052 |
PN |
Phosphorus mononitride |
rPN |
1.491 |
1.543 |
0.052 |
C4H4Se |
selenophene |
rCSe |
1.855 |
1.907 |
0.052 |
NO2 |
Nitrogen dioxide |
rNO |
1.193 |
1.245 |
0.052 |
CH3SSH |
Hydrogen methyl disulfide |
rHS |
1.339 |
1.391 |
0.052 |
NO2 |
Nitrogen dioxide |
rNO |
1.193 |
1.245 |
0.052 |
CS2 |
Carbon disulfide |
rCS |
1.554 |
1.606 |
0.052 |
FNO |
Nitrosyl fluoride |
rNO |
1.136 |
1.188 |
0.052 |
N2O4 |
Dinitrogen tetroxide |
rNO |
1.190 |
1.241 |
0.051 |
HCCBr |
bromoacetylene |
rCBr |
1.792 |
1.843 |
0.051 |
CH3CH2SH |
ethanethiol |
rSH |
1.336 |
1.387 |
0.051 |
CH3CH2SH |
ethanethiol |
rSH |
1.336 |
1.387 |
0.051 |
GeF4 |
Germanium tetrafluoride |
rFGe |
1.670 |
1.721 |
0.051 |
O2 |
Oxygen diatomic |
rOO |
1.208 |
1.258 |
0.051 |
CH3CH2SH |
ethanethiol |
rSH |
1.336 |
1.387 |
0.051 |
CH3CH2SH |
ethanethiol |
rSH |
1.336 |
1.387 |
0.051 |
CH3NO2 |
Methane, nitro- |
rNO |
1.224 |
1.274 |
0.050 |
HOSH |
hydrogen thioperoxide |
rSH |
1.342 |
1.392 |
0.050 |
H2S |
Hydrogen sulfide |
rSH |
1.336 |
1.386 |
0.050 |
H2S |
Hydrogen sulfide |
rSH |
1.336 |
1.386 |
0.050 |
343 molecules.