Species |
Name |
Bond type |
Bond Length (Å) |
Experimental |
Calculated |
Difference |
C4H6 |
1-Methylcyclopropene |
rCH |
1.085 |
4.228 |
3.143 |
C4H6 |
1-Methylcyclopropene |
rCH |
1.087 |
3.455 |
2.368 |
S4 |
Sulfur tetramer |
rSS |
2.155 |
3.133 |
0.978 |
C4H6 |
1-Methylcyclopropene |
rCC |
1.476 |
2.287 |
0.811 |
CH3CH2SH |
ethanethiol |
rCH |
1.095 |
1.886 |
0.791 |
CH3CH2SH |
ethanethiol |
rCH |
1.095 |
1.882 |
0.787 |
C4H6 |
1-Methylcyclopropene |
rCH |
1.087 |
1.829 |
0.742 |
C4H6 |
1-Methylcyclopropene |
rCH |
1.098 |
1.779 |
0.681 |
C4H6 |
1-Methylcyclopropene |
rCH |
1.098 |
1.765 |
0.667 |
CH3SO2NH2 |
methanesulfonamide |
rCN |
1.207 |
1.749 |
0.542 |
S4 |
Sulfur tetramer |
rSS |
2.155 |
2.673 |
0.518 |
S4 |
Sulfur tetramer |
rSS |
2.155 |
2.672 |
0.517 |
C4H6 |
1-Methylcyclopropene |
rCH |
1.070 |
1.541 |
0.471 |
ONNO |
NO dimer |
rNN |
2.236 |
1.785 |
-0.451 |
CH3CH2SH |
ethanethiol |
rCH |
1.089 |
1.532 |
0.443 |
CH3CH2SH |
ethanethiol |
rCH |
1.089 |
1.531 |
0.442 |
CH3CH2SH |
ethanethiol |
rCH |
1.092 |
1.532 |
0.440 |
CH3CH2SH |
ethanethiol |
rCH |
1.092 |
1.531 |
0.439 |
C4H10O |
Methyl propyl ether |
rCC |
1.530 |
1.097 |
-0.433 |
C2H4F2 |
1,2-difluoroethane |
rCH |
1.093 |
1.523 |
0.430 |
C4H6 |
1-Methylcyclopropene |
rCC |
1.515 |
1.090 |
-0.425 |
C2H4F2 |
1,2-difluoroethane |
rCH |
1.093 |
1.512 |
0.419 |
S4 |
Sulfur tetramer |
rSS |
1.898 |
2.316 |
0.418 |
S3 |
Sulfur trimer |
rSS |
1.917 |
2.297 |
0.380 |
CH2CHCH2F |
Allyl Fluoride |
rHC |
1.130 |
1.504 |
0.374 |
CH2CHCH2F |
Allyl Fluoride |
rHC |
1.130 |
1.500 |
0.370 |
C3H3NO |
Isoxazole |
rCH |
1.075 |
1.436 |
0.361 |
CH3CH2SH |
ethanethiol |
rCC |
1.528 |
1.886 |
0.358 |
CH3CH2SH |
ethanethiol |
rCC |
1.528 |
1.882 |
0.354 |
C4H10O |
Methyl propyl ether |
rCH |
1.099 |
1.442 |
0.343 |
Ar2+ |
Argon diatomic cation |
rArAr |
2.320 |
2.648 |
0.328 |
Ar2 |
Argon diatomic |
rArAr |
3.758 |
4.056 |
0.298 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
2.153 |
-0.297 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
2.153 |
-0.297 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
2.153 |
-0.297 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
2.153 |
-0.297 |
CH3CH2SH |
ethanethiol |
rCS |
1.820 |
1.531 |
-0.289 |
CH3CH2SH |
ethanethiol |
rCS |
1.820 |
1.532 |
-0.288 |
GaAs |
Gallium arsenide |
rGaAs |
2.530 |
2.242 |
-0.288 |
C2H2+ |
acetylene cation |
rCH |
1.077 |
1.357 |
0.281 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.597 |
1.871 |
0.274 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.597 |
1.871 |
0.274 |
ClOF3 |
Chlorine trifluoride oxide |
rFCl |
1.603 |
1.856 |
0.253 |
C4H6 |
1-Methylcyclopropene |
rCC |
1.300 |
1.544 |
0.244 |
OClO |
Chlorine dioxide |
rClO |
1.470 |
1.709 |
0.239 |
Cl2+ |
chlorine diatomic cation |
rClCl |
1.892 |
2.123 |
0.232 |
Si2H2 |
disilyne |
rSiSi |
2.215 |
1.985 |
-0.231 |
GaP |
Gallium monophosphide |
rPGa |
2.110 |
2.340 |
0.230 |
GaP |
Gallium monophosphide |
rPGa |
2.110 |
2.340 |
0.230 |
GaP |
Gallium monophosphide |
rPGa |
2.110 |
2.340 |
0.230 |
GaP |
Gallium monophosphide |
rPGa |
2.110 |
2.340 |
0.230 |
SFCl |
Sulfur chloride fluoride |
rSCl |
1.994 |
2.212 |
0.218 |
ClOF3 |
Chlorine trifluoride oxide |
rOCl |
1.405 |
1.618 |
0.213 |
OPCl |
Phosphorus oxychloride |
rPCl |
2.059 |
2.265 |
0.206 |
CH3SSH |
Hydrogen methyl disulfide |
rSS |
2.038 |
2.244 |
0.206 |
Si2H2 |
disilyne |
rSiH |
1.668 |
1.463 |
-0.205 |
SOF4 |
Sulfur tetrafluoride oxide |
rFS |
1.539 |
1.737 |
0.198 |
FSN |
Thiazyl fluoride |
rFS |
1.643 |
1.838 |
0.195 |
H2S2 |
Disulfane |
rSS |
2.056 |
2.250 |
0.194 |
ClOF3 |
Chlorine trifluoride oxide |
rFCl |
1.713 |
1.905 |
0.192 |
CH3SOCH3 |
Dimethyl sulfoxide |
rSO |
1.485 |
1.676 |
0.191 |
SSO |
Disulfur monoxide |
rSS |
1.884 |
2.073 |
0.188 |
C2H6O2S |
Dimethyl sulfone |
rSO |
1.431 |
1.619 |
0.188 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.597 |
1.779 |
0.182 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.597 |
1.779 |
0.182 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.697 |
1.872 |
0.176 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.697 |
1.872 |
0.176 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.697 |
1.871 |
0.175 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.697 |
1.871 |
0.175 |
NCl |
nitrogen monochloride |
rNCl |
1.611 |
1.782 |
0.172 |
Si2H2 |
disilyne |
rSiH |
1.668 |
1.497 |
-0.171 |
S3 |
Sulfur trimer |
rSS |
1.917 |
2.086 |
0.169 |
ClOOCl |
Dichlorine dioxide |
rOCl |
1.704 |
1.870 |
0.166 |
SF6 |
Sulfur Hexafluoride |
rSF |
1.561 |
1.727 |
0.166 |
BrCl |
Bromine monochloride |
rClBr |
2.136 |
2.300 |
0.164 |
SF4 |
Sulfur tetrafluoride |
rSF |
1.545 |
1.709 |
0.164 |
SOF4 |
Sulfur tetrafluoride oxide |
rFS |
1.596 |
1.759 |
0.163 |
SO3 |
Sulfur trioxide |
rSO |
1.418 |
1.577 |
0.159 |
S2 |
Sulfur diatomic |
rSS |
1.889 |
2.045 |
0.156 |
HSiCl |
Chlorosilylene |
rSiCl |
2.067 |
2.219 |
0.152 |
SiCl |
Clorosilylidyne |
rSiCl |
2.061 |
2.212 |
0.151 |
IO |
Iodine monoxide |
rIO |
1.868 |
2.016 |
0.148 |
ClO |
Monochlorine monoxide |
rClO |
1.596 |
1.744 |
0.148 |
S4 |
Sulfur tetramer |
rSS |
1.898 |
2.045 |
0.147 |
S4 |
Sulfur tetramer |
rSS |
1.898 |
2.045 |
0.147 |
SF4 |
Sulfur tetrafluoride |
rSF |
1.646 |
1.792 |
0.146 |
SiBr |
Silicon monobromide |
rSiBr |
2.209 |
2.355 |
0.146 |
GeCl |
Germanium monochloride |
rClGe |
2.164 |
2.308 |
0.144 |
N2 |
Nitrogen diatomic |
rNN |
1.098 |
1.240 |
0.142 |
N2 |
Nitrogen diatomic |
rNN |
1.098 |
1.240 |
0.142 |
SOF4 |
Sulfur tetrafluoride oxide |
rSO |
1.409 |
1.551 |
0.142 |
SO2 |
Sulfur dioxide |
rSO |
1.432 |
1.573 |
0.141 |
CFCl |
chlorofluoromethylene |
rCCl |
1.714 |
1.855 |
0.141 |
SeCl2 |
Selenium Dichloride |
rClSe |
2.157 |
2.297 |
0.140 |
SSO |
Disulfur monoxide |
rSO |
1.456 |
1.594 |
0.138 |
SF2 |
sulfur difluoride |
rSF |
1.587 |
1.724 |
0.137 |
BrO |
Bromine monoxide |
rOBr |
1.718 |
1.851 |
0.133 |
HSiBr |
monobromosilylene |
rSiBr |
2.237 |
2.370 |
0.133 |
S2N2 |
Disulfur dinitride |
rNS |
1.642 |
1.775 |
0.133 |
AlI |
Aluminum monoiodide |
rAlI |
2.537 |
2.669 |
0.132 |
ClF |
Chlorine monofluoride |
rFCl |
1.628 |
1.758 |
0.129 |
SiH3Cl |
chlorosilane |
rSiCl |
2.051 |
2.180 |
0.129 |
PF5 |
Phosphorus pentafluoride |
rPF |
1.534 |
1.663 |
0.129 |
He2+ |
helium diatomic cation |
rHeHe |
1.081 |
1.209 |
0.128 |
Br2 |
Bromine diatomic |
rBrBr |
2.281 |
2.408 |
0.127 |
SFCl |
Sulfur chloride fluoride |
rFS |
1.606 |
1.733 |
0.127 |
SF |
Monosulfur monofluoride |
rSF |
1.599 |
1.724 |
0.125 |
PF2 |
Phosphorus difluoride |
rPF |
1.579 |
1.704 |
0.124 |
SiH2Cl2 |
dichlorosilane |
rSiCl |
2.033 |
2.157 |
0.124 |
HOSH |
hydrogen thioperoxide |
rSO |
1.662 |
1.783 |
0.121 |
GaCl |
Gallium monochloride |
rClGa |
2.202 |
2.322 |
0.120 |
SO |
Sulfur monoxide |
rSO |
1.481 |
1.600 |
0.119 |
SO |
Sulfur monoxide |
rSO |
1.481 |
1.600 |
0.119 |
SO |
Sulfur monoxide |
rSO |
1.481 |
1.600 |
0.119 |
SO |
Sulfur monoxide |
rSO |
1.481 |
1.600 |
0.119 |
NCl3 |
nitrogen trichloride |
rNCl |
1.754 |
1.871 |
0.118 |
SeF4 |
Selenium tetrafluoride |
rFSe |
1.682 |
1.799 |
0.117 |
AlBr |
Aluminum monobromide |
rAlBr |
2.295 |
2.412 |
0.117 |
LiBr |
Lithium Bromide |
rLiBr |
2.170 |
2.285 |
0.115 |
SiH3Br |
bromosilane |
rSiBr |
2.210 |
2.324 |
0.114 |
HOCl |
hypochlorous acid |
rClO |
1.697 |
1.811 |
0.113 |
AsCl3 |
Arsenous trichloride |
rClAs |
2.166 |
2.278 |
0.113 |
Si2H2 |
disilyne |
rSiSi |
2.215 |
2.103 |
-0.113 |
GaBr |
Gallium monobromide |
rGaBr |
2.352 |
2.465 |
0.112 |
SiF3 |
Silicon trifluoride radical |
rFSi |
1.565 |
1.677 |
0.112 |
GaAs |
Gallium arsenide |
rGaAs |
2.530 |
2.418 |
-0.112 |
GeCl2 |
Germanium dichloride |
rClGe |
2.186 |
2.298 |
0.112 |
LiI |
Lithium Iodide |
rLiI |
2.392 |
2.503 |
0.111 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
2.340 |
-0.110 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
2.340 |
-0.110 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
2.340 |
-0.110 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
2.340 |
-0.110 |
SiF+ |
silicon monofluoride cation |
rFSi |
1.527 |
1.635 |
0.109 |
PF5 |
Phosphorus pentafluoride |
rFP |
1.577 |
1.685 |
0.108 |
SiF |
silicon monofluoride |
rSiF |
1.604 |
1.712 |
0.108 |
SiH3F |
monofluorosilane |
rSiF |
1.595 |
1.702 |
0.108 |
SiF2 |
Silicon difluoride |
rFSi |
1.590 |
1.697 |
0.107 |
BrO+ |
Bromine monoxide cation |
rOBr |
1.635 |
1.742 |
0.107 |
PS |
phosphorus sulfide |
rPS |
1.900 |
2.007 |
0.107 |
SiH2F2 |
difluorosilane |
rSiF |
1.576 |
1.682 |
0.106 |
CBr |
Carbon monobromide |
rCBr |
1.821 |
1.925 |
0.104 |
SiBr+ |
Silicon monobromide cation |
rSiBr |
2.095 |
2.199 |
0.104 |
SiBr4 |
Silicon tetrabromide |
rSiBr |
2.183 |
2.285 |
0.102 |
BrF |
Bromine monofluoride |
rFBr |
1.759 |
1.861 |
0.102 |
NaI |
Sodium Iodide |
rNaI |
2.711 |
2.813 |
0.101 |
GaP |
Gallium monophosphide |
rPGa |
2.240 |
2.340 |
0.100 |
GaP |
Gallium monophosphide |
rPGa |
2.240 |
2.340 |
0.100 |
GaP |
Gallium monophosphide |
rPGa |
2.240 |
2.340 |
0.100 |
GaP |
Gallium monophosphide |
rPGa |
2.240 |
2.340 |
0.100 |
SO |
Sulfur monoxide |
rOS |
1.500 |
1.600 |
0.100 |
SO |
Sulfur monoxide |
rOS |
1.500 |
1.600 |
0.100 |
CH3CHClCH3 |
Propane, 2-chloro- |
rCCl |
1.798 |
1.898 |
0.100 |
SO |
Sulfur monoxide |
rOS |
1.500 |
1.600 |
0.100 |
SO |
Sulfur monoxide |
rOS |
1.500 |
1.600 |
0.100 |
SiHF3 |
trifluorosilane |
rSiF |
1.563 |
1.662 |
0.099 |
SiI4 |
silicon tetraiodide |
rSiI |
2.432 |
2.529 |
0.097 |
GaP |
Gallium monophosphide |
rPGa |
2.250 |
2.153 |
-0.097 |
GaP |
Gallium monophosphide |
rPGa |
2.250 |
2.153 |
-0.097 |
GaP |
Gallium monophosphide |
rPGa |
2.250 |
2.153 |
-0.097 |
GaP |
Gallium monophosphide |
rPGa |
2.250 |
2.153 |
-0.097 |
CH2ClCCCl |
1,3-dichloropropyne |
rCCl |
1.779 |
1.875 |
0.097 |
LiCl |
lithium chloride |
rLiCl |
2.021 |
2.116 |
0.096 |
BH3PH3 |
borane phosphine |
rBP |
1.937 |
2.032 |
0.095 |
SbCl3 |
Antimony Trichloride |
rSbCl |
2.333 |
2.428 |
0.095 |
SO+ |
sulfur monoxide cation |
rOS |
1.424 |
1.518 |
0.094 |
Se2 |
Selenium diatomic |
rSeSe |
2.166 |
2.260 |
0.094 |
NHCl2 |
dichloroamine |
rNCl |
1.760 |
1.853 |
0.093 |
GaP |
Gallium monophosphide |
rPGa |
2.250 |
2.340 |
0.090 |
GaP |
Gallium monophosphide |
rPGa |
2.250 |
2.340 |
0.090 |
GaP |
Gallium monophosphide |
rPGa |
2.250 |
2.340 |
0.090 |
GaP |
Gallium monophosphide |
rPGa |
2.250 |
2.340 |
0.090 |
As4 |
Arsenic tetramer |
rAsAs |
2.435 |
2.525 |
0.090 |
GeF |
Germanium monofluoride |
rFGe |
1.745 |
1.835 |
0.090 |
PO |
Phosphorus monoxide |
rPO |
1.476 |
1.563 |
0.087 |
CH2Cl |
chloromethyl radical |
rCCl |
1.691 |
1.778 |
0.087 |
CH2Cl |
chloromethyl radical |
rCCl |
1.691 |
1.778 |
0.087 |
GeBr4 |
Germanium tetrabromide |
rGeBr |
2.272 |
2.359 |
0.087 |
CHFClBr |
fluorochlorobromomethane |
rCCl |
1.745 |
1.832 |
0.087 |
CH2Cl |
chloromethyl radical |
rCCl |
1.691 |
1.778 |
0.087 |
CH2Cl |
chloromethyl radical |
rCCl |
1.691 |
1.778 |
0.087 |
GaP |
Gallium monophosphide |
rPGa |
2.240 |
2.153 |
-0.087 |
GaP |
Gallium monophosphide |
rPGa |
2.240 |
2.153 |
-0.087 |
GaP |
Gallium monophosphide |
rPGa |
2.240 |
2.153 |
-0.087 |
GaP |
Gallium monophosphide |
rPGa |
2.240 |
2.153 |
-0.087 |
CHFClBr |
fluorochlorobromomethane |
rCCl |
1.745 |
1.832 |
0.087 |
C2H6O2S |
Dimethyl sulfone |
rCS |
1.777 |
1.863 |
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 |
CH2BrCl |
Methane, bromochloro- |
rCCl |
1.755 |
1.840 |
0.085 |
GeH3F |
monofluorogermane |
rGeF |
1.731 |
1.816 |
0.085 |
CH2CHCH2F |
Allyl Fluoride |
rCF |
1.370 |
1.454 |
0.084 |
CH2CHCH2F |
Allyl Fluoride |
rCF |
1.370 |
1.454 |
0.084 |
SeF4 |
Selenium tetrafluoride |
rFSe |
1.771 |
1.854 |
0.083 |
C2H4S |
Thiirane |
rCS |
1.815 |
1.898 |
0.083 |
GeF4 |
Germanium tetrafluoride |
rFGe |
1.670 |
1.753 |
0.083 |
GeF+ |
Germanium monofluoride cation |
rFGe |
1.665 |
1.747 |
0.081 |
C2H2ClF |
1-chloro-1-fluoroethylene |
rCCl |
1.704 |
1.786 |
0.081 |
C2H2+ |
acetylene cation |
rCC |
1.253 |
1.334 |
0.081 |
Si2H2 |
disilyne |
rSiSi |
2.215 |
2.296 |
0.081 |
OPCl |
Phosphorus oxychloride |
rPO |
1.462 |
1.543 |
0.081 |
NS |
Mononitrogen monosulfide |
rNS |
1.497 |
1.578 |
0.081 |
SeO2 |
Selenium dioxide |
rSeO |
1.607 |
1.687 |
0.080 |
BF |
Boron monofluoride |
rBF |
1.267 |
1.347 |
0.080 |
CH2CClCHCH2 |
1,3-Butadiene, 2-chloro- |
rCCl |
1.742 |
1.822 |
0.080 |
SeO |
Selenium monoxide |
rSeO |
1.639 |
1.719 |
0.080 |
C6H4Cl2 |
1,4-dichlorobenzene |
rCCl |
1.729 |
1.806 |
0.077 |
FSN |
Thiazyl fluoride |
rNS |
1.448 |
1.525 |
0.077 |
CH3CCl2CH3 |
Propane, 2,2-dichloro- |
rCCl |
1.799 |
1.875 |
0.076 |
CH3SOCH3 |
Dimethyl sulfoxide |
rCS |
1.799 |
1.875 |
0.076 |
ClCOClCO |
Oxalyl chloride |
rCCl |
1.744 |
1.819 |
0.075 |
SiS |
silicon monosulfide |
rSiS |
1.929 |
2.004 |
0.075 |
CF |
Fluoromethylidyne |
rCF |
1.276 |
1.351 |
0.075 |
CF2Cl2 |
difluorodichloromethane |
rCCl |
1.744 |
1.818 |
0.074 |
KH |
Potassium hydride |
rKH |
2.243 |
2.317 |
0.074 |
GeS |
Germanium monosulfide |
rSGe |
2.012 |
2.086 |
0.073 |
AlF |
Aluminum monofluoride |
rAlF |
1.654 |
1.728 |
0.073 |
C4H8O2 |
Ethyl acetate |
rCO |
1.448 |
1.521 |
0.073 |
CH2CHCH2F |
Allyl Fluoride |
rCF |
1.382 |
1.454 |
0.072 |
CH2CHCH2F |
Allyl Fluoride |
rCF |
1.382 |
1.454 |
0.072 |
CH3Cl |
Methyl chloride |
rCCl |
1.785 |
1.858 |
0.072 |
CH3Cl |
Methyl chloride |
rCCl |
1.785 |
1.857 |
0.072 |
CH2CHCH2F |
Allyl Fluoride |
rCF |
1.370 |
1.442 |
0.072 |
CH2CHCH2F |
Allyl Fluoride |
rCF |
1.370 |
1.442 |
0.072 |
CF2 |
Difluoromethylene |
rCF |
1.297 |
1.369 |
0.072 |
NF3 |
Nitrogen trifluoride |
rNF |
1.365 |
1.435 |
0.070 |
CH2ClI |
chloroiodomethane |
rCCl |
1.774 |
1.844 |
0.070 |
CH2Cl2 |
Methylene chloride |
rCCl |
1.767 |
1.836 |
0.069 |
CF2CCl2 |
difluorodichloroethylene |
rCCl |
1.706 |
1.774 |
0.068 |
HOI |
Hypoiodous acid |
rOI |
1.994 |
2.062 |
0.068 |
CaBr |
Calcium monobromide |
rCaBr |
2.594 |
2.660 |
0.067 |
TiCl |
Titanium Monochloride |
rClTi |
2.265 |
2.331 |
0.066 |
SiSe |
Silicon Monoselenide |
rSiSe |
2.058 |
2.124 |
0.066 |
CH3CH2SH |
ethanethiol |
rCS |
1.820 |
1.886 |
0.066 |
CHCl3 |
Chloroform |
rCCl |
1.762 |
1.827 |
0.065 |
GeSe |
Germanium monoselenide |
rGeSe |
2.135 |
2.200 |
0.065 |
CH2BrF |
Methane, bromofluoro- |
rCBr |
1.915 |
1.980 |
0.065 |
CH2ClCCCl |
1,3-dichloropropyne |
rCCl |
1.638 |
1.702 |
0.065 |
HCF |
Fluoromethylene |
rCF |
1.305 |
1.369 |
0.064 |
NSe |
Nitrogen monoselenide |
rNSe |
1.652 |
1.715 |
0.063 |
SiC2 |
Silicon dicarbide |
rCSi |
1.836 |
1.899 |
0.063 |
C2H5Br |
Ethyl bromide |
rCBr |
1.950 |
2.012 |
0.062 |
CH3CH2SH |
ethanethiol |
rCS |
1.820 |
1.882 |
0.062 |
CH3SCH3 |
Dimethyl sulfide |
rCS |
1.802 |
1.864 |
0.062 |
CCl4 |
Carbon tetrachloride |
rCCl |
1.767 |
1.829 |
0.062 |
C3H6S3 |
1,3,5-Trithiane |
rCS |
1.801 |
1.863 |
0.061 |
Si2H2 |
disilyne |
rSiH |
1.668 |
1.729 |
0.061 |
NO- |
nitric oxide anion |
rNO |
1.258 |
1.319 |
0.061 |
CH2ClCHCHCH3 |
2-Butene, 1-chloro- |
rCCl |
1.807 |
1.867 |
0.060 |
CH2CHCH2F |
Allyl Fluoride |
rCF |
1.382 |
1.442 |
0.060 |
CH2CHCH2F |
Allyl Fluoride |
rCF |
1.382 |
1.442 |
0.060 |
CF3Cl |
Methane, chlorotrifluoro- |
rCCl |
1.752 |
1.812 |
0.060 |
CH3Br |
methyl bromide |
rCBr |
1.934 |
1.993 |
0.059 |
C2H4O |
Ethylene oxide |
rCO |
1.425 |
1.484 |
0.059 |
CH2F2 |
Methane, difluoro- |
rCF |
1.351 |
1.409 |
0.058 |
SiO |
Silicon monoxide |
rSiO |
1.510 |
1.568 |
0.058 |
GaH |
Gallium monohydride |
rGaH |
1.663 |
1.721 |
0.058 |
KOH |
Potassium hydroxide |
rOH |
0.912 |
0.969 |
0.057 |
CHF3 |
Methane, trifluoro- |
rCF |
1.328 |
1.385 |
0.057 |
CH3CHF2 |
Ethane, 1,1-difluoro- |
rCF |
1.364 |
1.421 |
0.057 |
GaF |
Gallium monofluoride |
rFGa |
1.774 |
1.831 |
0.057 |
SbF3 |
Antimony Trifluoride |
rFSb |
1.880 |
1.936 |
0.056 |
CH3F |
Methyl fluoride |
rCF |
1.383 |
1.439 |
0.056 |
CH3F |
Methyl fluoride |
rCF |
1.383 |
1.439 |
0.056 |
HNCS |
Isothiocyanic acid |
rCS |
1.567 |
1.622 |
0.056 |
CH2FI |
fluoroiodomethane |
rCF |
1.362 |
1.417 |
0.056 |
C5H6 |
Propellane |
rCC |
1.596 |
1.651 |
0.055 |
C2H4F2 |
1,2-difluoroethane |
rCF |
1.390 |
1.445 |
0.055 |
C2H4F2 |
1,2-difluoroethane |
rCF |
1.390 |
1.445 |
0.055 |
CaC |
Calcium monocarbide |
rCCa |
2.302 |
2.356 |
0.054 |
CF2O |
Carbonic difluoride |
rCF |
1.312 |
1.366 |
0.054 |
CH3SH |
Methanethiol |
rCS |
1.818 |
1.872 |
0.054 |
CH3SH |
Methanethiol |
rCS |
1.818 |
1.872 |
0.054 |
TeO |
Tellurium monoxide |
rOTe |
1.825 |
1.879 |
0.054 |
CF3Br |
Bromotrifluoromethane |
rCF |
1.327 |
1.380 |
0.054 |
CHSNH2 |
thioformamide |
rCS |
1.626 |
1.678 |
0.052 |
ClOOCl |
Dichlorine dioxide |
rOO |
1.426 |
1.374 |
-0.052 |
KOH |
Potassium hydroxide |
rOK |
2.212 |
2.263 |
0.052 |
CH2Br2 |
dibromomethane |
rCBr |
1.925 |
1.977 |
0.052 |
CH2FCH2CH3 |
1-Fluoropropane |
rCF |
1.401 |
1.452 |
0.051 |
LiF |
lithium fluoride |
rLiF |
1.564 |
1.615 |
0.051 |
C2H4F2 |
1,2-difluoroethane |
rCF |
1.390 |
1.441 |
0.051 |
C2H4F2 |
1,2-difluoroethane |
rCF |
1.390 |
1.441 |
0.051 |
CF3Cl |
Methane, chlorotrifluoro- |
rCF |
1.325 |
1.376 |
0.051 |
FO |
Oxygen monofluoride |
rFO |
1.354 |
1.405 |
0.051 |
HN3 |
hydrogen azide |
rNH |
0.975 |
1.026 |
0.051 |
287 molecules.